NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
28390 | 2yua | 11144 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 2.012 9.053 26.263 2 HA2 GLY 1 1HA GLY 1 3.647 8.470 24.557 3 HA3 GLY 1 2HA GLY 1 3.343 10.199 24.463 4 H SER 2 H SER 2 5.183 11.230 24.091 5 HA SER 2 HA SER 2 7.571 10.401 25.608 6 HB2 SER 2 1HB SER 2 8.052 9.855 23.357 7 HB3 SER 2 2HB SER 2 7.317 11.340 22.754 8 HG SER 2 HG SER 2 9.853 10.909 23.426 9 H SER 3 H SER 3 8.862 11.996 26.485 10 HA SER 3 HA SER 3 7.551 14.488 27.041 11 HB2 SER 3 1HB SER 3 8.789 13.511 28.836 12 HB3 SER 3 2HB SER 3 10.235 13.354 27.839 13 HG SER 3 HG SER 3 9.037 15.770 28.727 14 H GLY 4 H GLY 4 7.459 15.904 25.391 15 HA2 GLY 4 1HA GLY 4 9.122 17.734 24.635 16 HA3 GLY 4 2HA GLY 4 9.899 16.385 23.820 17 H SER 5 H SER 5 6.449 17.129 24.192 18 HA SER 5 HA SER 5 5.687 16.386 21.646 19 HB2 SER 5 1HB SER 5 4.413 18.602 23.266 20 HB3 SER 5 2HB SER 5 3.638 17.620 22.023 21 HG SER 5 HG SER 5 3.076 16.698 23.931 22 H SER 6 H SER 6 5.618 17.329 19.673 23 HA SER 6 HA SER 6 6.921 19.956 19.425 24 HB2 SER 6 1HB SER 6 7.521 19.272 17.138 25 HB3 SER 6 2HB SER 6 8.127 18.118 18.326 26 HG SER 6 HG SER 6 5.913 17.085 17.804 27 H GLY 7 H GLY 7 6.122 21.449 17.853 28 HA2 GLY 7 1HA GLY 7 3.305 21.698 17.857 29 HA3 GLY 7 2HA GLY 7 4.422 22.684 16.925 30 H SER 8 H SER 8 1.818 21.654 16.139 31 HA SER 8 HA SER 8 2.406 19.593 14.174 32 HB2 SER 8 1HB SER 8 0.013 19.588 13.734 33 HB3 SER 8 2HB SER 8 0.288 19.533 15.475 34 HG SER 8 HG SER 8 -1.279 21.062 15.078 35 H GLN 9 H GLN 9 2.404 19.868 11.976 36 HA GLN 9 HA GLN 9 1.862 22.516 10.878 37 HB2 GLN 9 1HB GLN 9 4.369 22.147 11.535 38 HB3 GLN 9 2HB GLN 9 4.412 21.166 10.076 39 HG2 GLN 9 1HG GLN 9 3.961 22.989 8.693 40 HG3 GLN 9 2HG GLN 9 3.377 23.975 10.033 41 HE21 GLN 9 1HE2 GLN 9 4.856 25.570 9.156 42 HE22 GLN 9 2HE2 GLN 9 6.522 25.513 9.608 43 H GLY 10 H GLY 10 0.870 22.413 8.955 44 HA2 GLY 10 1HA GLY 10 0.964 19.834 7.513 45 HA3 GLY 10 2HA GLY 10 -0.513 20.769 7.685 46 H ASP 11 H ASP 11 1.143 19.859 5.319 47 HA ASP 11 HA ASP 11 1.473 22.509 4.069 48 HB2 ASP 11 1HB ASP 11 3.604 21.309 4.246 49 HB3 ASP 11 2HB ASP 11 2.907 19.929 3.403 50 H CYS 12 H CYS 12 -0.308 22.895 2.916 51 HA CYS 12 HA CYS 12 -1.942 20.863 1.790 52 HB2 CYS 12 1HB CYS 12 -2.661 23.203 2.488 53 HB3 CYS 12 2HB CYS 12 -1.938 23.772 0.989 54 HG CYS 12 HG CYS 12 -3.997 23.344 -0.472 55 H SER 13 H SER 13 -0.519 19.618 0.505 56 HA SER 13 HA SER 13 -0.253 20.623 -2.198 57 HB2 SER 13 1HB SER 13 2.155 20.022 -2.351 58 HB3 SER 13 2HB SER 13 1.861 21.361 -1.242 59 HG SER 13 HG SER 13 2.495 20.165 0.382 60 H TYR 14 H TYR 14 0.869 18.803 -3.573 61 HA TYR 14 HA TYR 14 -0.783 16.534 -3.419 62 HB2 TYR 14 1HB TYR 14 0.808 15.598 -5.159 63 HB3 TYR 14 2HB TYR 14 0.061 17.143 -5.555 64 HD1 TYR 14 1HD TYR 14 1.386 19.193 -5.591 65 HD2 TYR 14 2HD TYR 14 3.182 15.434 -4.724 66 HE1 TYR 14 1HE TYR 14 3.608 20.175 -5.971 67 HE2 TYR 14 2HE TYR 14 5.410 16.406 -5.100 68 HH TYR 14 HH TYR 14 6.530 18.460 -5.204 69 H SER 15 H SER 15 -0.559 14.596 -2.471 70 HA SER 15 HA SER 15 1.079 14.147 -0.321 71 HB2 SER 15 1HB SER 15 -0.044 12.063 -2.211 72 HB3 SER 15 2HB SER 15 0.555 11.744 -0.583 73 HG SER 15 HG SER 15 -1.112 13.569 -0.122 74 H ARG 16 H ARG 16 3.196 13.930 -0.105 75 HA ARG 16 HA ARG 16 4.794 13.150 -2.433 76 HB2 ARG 16 1HB ARG 16 5.466 15.232 -1.418 77 HB3 ARG 16 2HB ARG 16 5.550 14.481 0.170 78 HG2 ARG 16 1HG ARG 16 7.500 13.315 -0.349 79 HG3 ARG 16 2HG ARG 16 7.274 13.532 -2.086 80 HD2 ARG 16 1HD ARG 16 9.018 15.003 -1.419 81 HD3 ARG 16 2HD ARG 16 7.591 15.994 -1.721 82 HE ARG 16 HE ARG 16 7.611 16.610 0.478 83 HH11 ARG 16 1HH1 ARG 16 9.537 13.734 0.099 84 HH12 ARG 16 2HH1 ARG 16 10.116 13.750 1.732 85 HH21 ARG 16 1HH2 ARG 16 8.367 16.641 2.630 86 HH22 ARG 16 2HH2 ARG 16 9.449 15.403 3.171 87 H THR 17 H THR 17 4.739 12.532 1.080 88 HA THR 17 HA THR 17 5.712 9.807 0.513 89 HB THR 17 HB THR 17 7.458 11.188 1.597 90 HG1 THR 17 1HG THR 17 7.607 9.043 2.088 91 HG21 THR 17 3HG2 THR 17 6.207 12.730 2.900 92 HG22 THR 17 1HG2 THR 17 7.092 11.722 4.043 93 HG23 THR 17 2HG2 THR 17 5.375 11.436 3.761 94 H ALA 18 H ALA 18 2.962 10.782 0.794 95 HA ALA 18 HA ALA 18 1.905 10.177 3.332 96 HB1 ALA 18 3HB ALA 18 0.533 9.989 0.653 97 HB2 ALA 18 1HB ALA 18 -0.255 10.089 2.228 98 HB3 ALA 18 2HB ALA 18 0.687 11.454 1.624 99 H LEU 19 H LEU 19 2.115 8.198 0.377 100 HA LEU 19 HA LEU 19 0.916 5.891 1.300 101 HB2 LEU 19 1HB LEU 19 3.360 5.834 -0.440 102 HB3 LEU 19 2HB LEU 19 1.974 4.745 -0.458 103 HG LEU 19 HG LEU 19 2.136 7.559 -1.513 104 HD11 LEU 19 1HD1 LEU 19 1.186 6.278 -3.535 105 HD12 LEU 19 2HD1 LEU 19 1.756 4.836 -2.698 106 HD13 LEU 19 3HD1 LEU 19 2.898 6.101 -3.151 107 HD21 LEU 19 3HD2 LEU 19 -0.340 5.852 -1.326 108 HD22 LEU 19 1HD2 LEU 19 -0.213 7.497 -1.948 109 HD23 LEU 19 2HD2 LEU 19 0.029 7.184 -0.229 110 H TYR 20 H TYR 20 3.883 7.281 2.275 111 HA TYR 20 HA TYR 20 4.945 4.798 3.356 112 HB2 TYR 20 1HB TYR 20 6.015 7.618 3.590 113 HB3 TYR 20 2HB TYR 20 6.866 6.144 4.036 114 HD1 TYR 20 2HD TYR 20 5.359 7.913 1.132 115 HD2 TYR 20 1HD TYR 20 8.170 5.008 2.461 116 HE1 TYR 20 2HE TYR 20 6.263 7.752 -1.149 117 HE2 TYR 20 1HE TYR 20 9.082 4.840 0.183 118 HH TYR 20 HH TYR 20 9.185 6.059 -1.854 119 H ASP 21 H ASP 21 3.127 7.553 4.380 120 HA ASP 21 HA ASP 21 3.635 7.180 7.193 121 HB2 ASP 21 1HB ASP 21 1.988 9.028 5.537 122 HB3 ASP 21 2HB ASP 21 1.505 8.788 7.214 123 H LEU 22 H LEU 22 0.938 6.565 4.970 124 HA LEU 22 HA LEU 22 -1.011 5.691 6.657 125 HB2 LEU 22 1HB LEU 22 -0.169 4.774 3.939 126 HB3 LEU 22 2HB LEU 22 -1.484 3.952 4.776 127 HG LEU 22 HG LEU 22 -2.424 6.411 4.990 128 HD11 LEU 22 1HD1 LEU 22 -0.569 6.538 2.623 129 HD12 LEU 22 2HD1 LEU 22 -0.607 7.602 4.028 130 HD13 LEU 22 3HD1 LEU 22 -1.927 7.638 2.860 131 HD21 LEU 22 3HD2 LEU 22 -3.323 5.957 2.521 132 HD22 LEU 22 1HD2 LEU 22 -3.859 5.021 3.917 133 HD23 LEU 22 2HD2 LEU 22 -2.613 4.376 2.848 134 H LEU 23 H LEU 23 1.619 3.680 5.345 135 HA LEU 23 HA LEU 23 0.891 1.403 6.919 136 HB2 LEU 23 1HB LEU 23 3.077 2.112 5.044 137 HB3 LEU 23 2HB LEU 23 3.381 0.805 6.187 138 HG LEU 23 HG LEU 23 1.594 -0.498 5.281 139 HD11 LEU 23 1HD1 LEU 23 0.883 2.037 3.861 140 HD12 LEU 23 2HD1 LEU 23 -0.141 0.960 4.810 141 HD13 LEU 23 3HD1 LEU 23 0.401 0.473 3.204 142 HD21 LEU 23 3HD2 LEU 23 3.645 -0.707 4.065 143 HD22 LEU 23 1HD2 LEU 23 3.300 0.750 3.133 144 HD23 LEU 23 2HD2 LEU 23 2.318 -0.696 2.902 145 H GLY 24 H GLY 24 3.573 3.746 7.052 146 HA2 GLY 24 1HA GLY 24 4.094 4.630 9.304 147 HA3 GLY 24 2HA GLY 24 3.940 2.977 9.883 148 H VAL 25 H VAL 25 5.425 3.254 6.834 149 HA VAL 25 HA VAL 25 8.034 2.700 8.065 150 HB VAL 25 HB VAL 25 8.674 1.770 5.868 151 HG11 VAL 25 1HG1 VAL 25 7.218 -0.230 5.970 152 HG12 VAL 25 2HG1 VAL 25 7.821 0.268 7.552 153 HG13 VAL 25 3HG1 VAL 25 6.160 0.633 7.085 154 HG21 VAL 25 3HG2 VAL 25 6.911 3.254 4.681 155 HG22 VAL 25 1HG2 VAL 25 7.245 1.643 4.045 156 HG23 VAL 25 2HG2 VAL 25 5.805 1.923 5.024 157 HA PRO 26 HA PRO 26 9.728 6.511 6.673 158 HB2 PRO 26 1HB PRO 26 12.330 5.792 6.379 159 HB3 PRO 26 2HB PRO 26 11.564 6.004 7.958 160 HG2 PRO 26 1HG PRO 26 12.098 3.483 6.435 161 HG3 PRO 26 2HG PRO 26 12.317 3.813 8.163 162 HD2 PRO 26 1HD PRO 26 10.173 2.470 7.198 163 HD3 PRO 26 2HD PRO 26 10.081 3.510 8.634 164 H SER 27 H SER 27 10.811 7.536 4.866 165 HA SER 27 HA SER 27 9.954 6.572 2.370 166 HB2 SER 27 1HB SER 27 11.154 8.456 1.413 167 HB3 SER 27 2HB SER 27 10.352 8.972 2.896 168 HG SER 27 HG SER 27 12.429 8.570 3.942 169 H THR 28 H THR 28 12.680 5.792 4.232 170 HA THR 28 HA THR 28 14.016 4.609 1.885 171 HB THR 28 HB THR 28 15.376 6.330 3.039 172 HG1 THR 28 1HG THR 28 16.554 3.808 3.549 173 HG21 THR 28 3HG2 THR 28 14.486 5.947 5.315 174 HG22 THR 28 1HG2 THR 28 16.248 5.917 5.265 175 HG23 THR 28 2HG2 THR 28 15.343 4.406 5.368 176 H ALA 29 H ALA 29 11.877 3.627 3.878 177 HA ALA 29 HA ALA 29 12.862 1.639 5.532 178 HB1 ALA 29 3HB ALA 29 10.707 0.941 5.760 179 HB2 ALA 29 1HB ALA 29 10.414 2.519 5.029 180 HB3 ALA 29 2HB ALA 29 10.366 1.064 4.034 181 H THR 30 H THR 30 12.179 -0.803 5.017 182 HA THR 30 HA THR 30 13.432 -1.514 2.445 183 HB THR 30 HB THR 30 14.982 -1.979 4.281 184 HG1 THR 30 1HG THR 30 13.798 -4.118 2.870 185 HG21 THR 30 3HG2 THR 30 12.782 -3.755 5.344 186 HG22 THR 30 1HG2 THR 30 13.374 -2.272 6.091 187 HG23 THR 30 2HG2 THR 30 14.429 -3.680 5.970 188 H GLN 31 H GLN 31 12.699 -3.419 1.428 189 HA GLN 31 HA GLN 31 10.086 -3.878 1.144 190 HB2 GLN 31 1HB GLN 31 11.833 -5.026 -0.162 191 HB3 GLN 31 2HB GLN 31 12.156 -6.080 1.208 192 HG2 GLN 31 1HG GLN 31 10.807 -7.267 -0.354 193 HG3 GLN 31 2HG GLN 31 9.822 -6.900 1.062 194 HE21 GLN 31 1HE2 GLN 31 8.288 -5.186 0.910 195 HE22 GLN 31 2HE2 GLN 31 7.624 -4.741 -0.622 196 H ALA 32 H ALA 32 12.051 -5.797 3.422 197 HA ALA 32 HA ALA 32 10.205 -7.370 4.598 198 HB1 ALA 32 3HB ALA 32 11.486 -7.083 6.743 199 HB2 ALA 32 1HB ALA 32 12.459 -7.490 5.329 200 HB3 ALA 32 2HB ALA 32 12.424 -5.831 5.928 201 H GLN 33 H GLN 33 10.788 -3.972 5.483 202 HA GLN 33 HA GLN 33 8.728 -3.879 7.435 203 HB2 GLN 33 1HB GLN 33 10.243 -1.736 5.952 204 HB3 GLN 33 2HB GLN 33 9.010 -1.362 7.148 205 HG2 GLN 33 1HG GLN 33 10.364 -2.828 8.741 206 HG3 GLN 33 2HG GLN 33 11.656 -2.706 7.548 207 HE21 GLN 33 1HE2 GLN 33 11.904 -0.309 6.765 208 HE22 GLN 33 2HE2 GLN 33 12.042 0.845 8.042 209 H ILE 34 H ILE 34 8.880 -2.141 4.324 210 HA ILE 34 HA ILE 34 6.393 -1.208 4.050 211 HB ILE 34 HB ILE 34 7.913 -2.675 1.894 212 HG12 ILE 34 1HG1 ILE 34 7.682 0.302 2.303 213 HG13 ILE 34 2HG1 ILE 34 8.949 -0.646 3.075 214 HG21 ILE 34 1HG2 ILE 34 5.309 -1.327 1.880 215 HG22 ILE 34 2HG2 ILE 34 6.412 -0.817 0.602 216 HG23 ILE 34 3HG2 ILE 34 5.978 -2.518 0.766 217 HD11 ILE 34 3HD1 ILE 34 10.091 -0.071 1.229 218 HD12 ILE 34 1HD1 ILE 34 9.253 -1.462 0.541 219 HD13 ILE 34 2HD1 ILE 34 8.632 0.167 0.266 220 H LYS 35 H LYS 35 7.292 -4.594 3.769 221 HA LYS 35 HA LYS 35 4.672 -5.444 2.939 222 HB2 LYS 35 1HB LYS 35 6.730 -6.675 2.314 223 HB3 LYS 35 2HB LYS 35 6.981 -7.080 4.007 224 HG2 LYS 35 1HG LYS 35 4.948 -8.376 4.044 225 HG3 LYS 35 2HG LYS 35 4.576 -7.893 2.388 226 HD2 LYS 35 1HD LYS 35 7.161 -9.266 3.010 227 HD3 LYS 35 2HD LYS 35 5.678 -10.206 2.836 228 HE2 LYS 35 1HE LYS 35 5.363 -9.432 0.602 229 HE3 LYS 35 2HE LYS 35 6.658 -8.247 0.769 230 HZ1 LYS 35 3HZ LYS 35 6.817 -11.115 0.286 231 HZ2 LYS 35 1HZ LYS 35 8.004 -10.453 1.294 232 HZ3 LYS 35 2HZ LYS 35 7.807 -9.865 -0.280 233 H ALA 36 H ALA 36 6.586 -6.185 5.861 234 HA ALA 36 HA ALA 36 4.685 -7.354 7.412 235 HB1 ALA 36 3HB ALA 36 6.408 -7.324 8.808 236 HB2 ALA 36 1HB ALA 36 7.186 -6.048 7.871 237 HB3 ALA 36 2HB ALA 36 6.060 -5.632 9.163 238 H ALA 37 H ALA 37 5.043 -3.916 6.756 239 HA ALA 37 HA ALA 37 3.185 -2.988 8.673 240 HB1 ALA 37 3HB ALA 37 3.111 -1.136 6.632 241 HB2 ALA 37 1HB ALA 37 4.229 -1.138 7.996 242 HB3 ALA 37 2HB ALA 37 4.706 -1.869 6.464 243 H TYR 38 H TYR 38 2.773 -3.108 5.129 244 HA TYR 38 HA TYR 38 0.127 -2.601 4.908 245 HB2 TYR 38 1HB TYR 38 1.293 -2.927 2.896 246 HB3 TYR 38 2HB TYR 38 1.864 -4.521 3.379 247 HD1 TYR 38 1HD TYR 38 -1.276 -2.679 2.566 248 HD2 TYR 38 2HD TYR 38 0.761 -6.414 2.606 249 HE1 TYR 38 1HE TYR 38 -3.155 -3.710 1.359 250 HE2 TYR 38 2HE TYR 38 -1.112 -7.455 1.398 251 HH TYR 38 HH TYR 38 -4.071 -5.662 0.700 252 H TYR 39 H TYR 39 1.532 -5.792 5.594 253 HA TYR 39 HA TYR 39 -0.801 -7.286 5.670 254 HB2 TYR 39 1HB TYR 39 1.889 -7.541 6.916 255 HB3 TYR 39 2HB TYR 39 0.606 -8.568 7.544 256 HD1 TYR 39 2HD TYR 39 2.345 -7.615 4.399 257 HD2 TYR 39 1HD TYR 39 0.013 -10.538 6.428 258 HE1 TYR 39 2HE TYR 39 2.696 -9.180 2.534 259 HE2 TYR 39 1HE TYR 39 0.358 -12.112 4.570 260 HH TYR 39 HH TYR 39 0.894 -11.945 2.091 261 H ARG 40 H ARG 40 0.782 -5.519 8.316 262 HA ARG 40 HA ARG 40 -0.898 -6.208 10.398 263 HB2 ARG 40 1HB ARG 40 0.530 -3.606 9.842 264 HB3 ARG 40 2HB ARG 40 -0.292 -3.952 11.357 265 HG2 ARG 40 1HG ARG 40 1.729 -5.898 10.383 266 HG3 ARG 40 2HG ARG 40 2.290 -4.365 11.056 267 HD2 ARG 40 1HD ARG 40 2.218 -5.609 12.966 268 HD3 ARG 40 2HD ARG 40 0.569 -4.986 12.963 269 HE ARG 40 HE ARG 40 -0.130 -7.142 12.822 270 HH11 ARG 40 1HH1 ARG 40 3.029 -6.929 11.375 271 HH12 ARG 40 2HH1 ARG 40 3.122 -8.621 11.016 272 HH21 ARG 40 1HH2 ARG 40 -0.020 -9.372 12.355 273 HH22 ARG 40 2HH2 ARG 40 1.387 -10.010 11.573 274 H GLN 41 H GLN 41 -1.236 -3.460 8.158 275 HA GLN 41 HA GLN 41 -3.519 -2.306 9.155 276 HB2 GLN 41 1HB GLN 41 -2.496 -2.600 6.346 277 HB3 GLN 41 2HB GLN 41 -4.004 -1.758 6.673 278 HG2 GLN 41 1HG GLN 41 -2.337 -0.105 6.548 279 HG3 GLN 41 2HG GLN 41 -2.714 -0.295 8.259 280 HE21 GLN 41 1HE2 GLN 41 -1.175 -1.061 9.641 281 HE22 GLN 41 2HE2 GLN 41 0.470 -1.325 9.184 282 H CYS 42 H CYS 42 -3.328 -4.960 6.795 283 HA CYS 42 HA CYS 42 -6.044 -5.325 6.362 284 HB2 CYS 42 1HB CYS 42 -3.698 -7.202 6.279 285 HB3 CYS 42 2HB CYS 42 -5.328 -7.789 5.970 286 HG CYS 42 HG CYS 42 -3.554 -5.525 4.130 287 H PHE 43 H PHE 43 -4.015 -7.239 8.589 288 HA PHE 43 HA PHE 43 -5.897 -8.748 9.826 289 HB2 PHE 43 1HB PHE 43 -3.569 -8.979 10.402 290 HB3 PHE 43 2HB PHE 43 -3.528 -7.358 11.086 291 HD1 PHE 43 1HD PHE 43 -4.874 -6.890 13.164 292 HD2 PHE 43 2HD PHE 43 -4.174 -10.826 11.703 293 HE1 PHE 43 1HE PHE 43 -5.441 -7.808 15.375 294 HE2 PHE 43 2HE PHE 43 -4.740 -11.750 13.912 295 HZ PHE 43 HZ PHE 43 -5.375 -10.241 15.751 296 H LEU 44 H LEU 44 -5.042 -5.415 10.713 297 HA LEU 44 HA LEU 44 -6.676 -5.064 12.900 298 HB2 LEU 44 1HB LEU 44 -5.723 -3.221 10.752 299 HB3 LEU 44 2HB LEU 44 -6.864 -2.636 11.960 300 HG LEU 44 HG LEU 44 -4.361 -3.960 12.886 301 HD11 LEU 44 1HD1 LEU 44 -3.403 -2.504 11.306 302 HD12 LEU 44 2HD1 LEU 44 -3.301 -1.659 12.850 303 HD13 LEU 44 3HD1 LEU 44 -4.545 -1.214 11.682 304 HD21 LEU 44 3HD2 LEU 44 -6.299 -1.916 13.888 305 HD22 LEU 44 1HD2 LEU 44 -4.666 -1.990 14.551 306 HD23 LEU 44 2HD2 LEU 44 -5.726 -3.395 14.662 307 H TYR 45 H TYR 45 -7.524 -4.337 9.513 308 HA TYR 45 HA TYR 45 -10.351 -4.727 10.246 309 HB2 TYR 45 1HB TYR 45 -9.344 -2.784 8.162 310 HB3 TYR 45 2HB TYR 45 -10.999 -2.969 8.732 311 HD1 TYR 45 1HD TYR 45 -10.957 -2.887 11.538 312 HD2 TYR 45 2HD TYR 45 -8.412 -0.796 8.845 313 HE1 TYR 45 1HE TYR 45 -10.560 -1.172 13.255 314 HE2 TYR 45 2HE TYR 45 -8.007 0.925 10.555 315 HH TYR 45 HH TYR 45 -8.479 1.634 12.601 316 H HIS 46 H HIS 46 -10.930 -6.615 9.389 317 HA HIS 46 HA HIS 46 -9.845 -7.434 6.802 318 HB2 HIS 46 1HB HIS 46 -11.132 -8.837 9.092 319 HB3 HIS 46 2HB HIS 46 -11.335 -9.539 7.490 320 HD2 HIS 46 2HD HIS 46 -8.796 -9.494 10.310 321 HE1 HIS 46 1HE HIS 46 -6.771 -10.985 6.893 322 HE2 HIS 46 2HE HIS 46 -6.717 -10.733 9.398 323 HA PRO 47 HA PRO 47 -13.469 -6.560 4.488 324 HB2 PRO 47 1HB PRO 47 -13.520 -8.637 2.740 325 HB3 PRO 47 2HB PRO 47 -12.339 -7.325 2.639 326 HG2 PRO 47 1HG PRO 47 -12.030 -10.067 3.801 327 HG3 PRO 47 2HG PRO 47 -10.906 -9.151 2.780 328 HD2 PRO 47 1HD PRO 47 -10.615 -9.335 5.466 329 HD3 PRO 47 2HD PRO 47 -10.125 -7.896 4.548 330 H ASP 48 H ASP 48 -13.240 -9.408 6.365 331 HA ASP 48 HA ASP 48 -16.001 -10.201 5.846 332 HB2 ASP 48 1HB ASP 48 -13.749 -11.440 7.417 333 HB3 ASP 48 2HB ASP 48 -15.403 -12.032 7.541 334 H ARG 49 H ARG 49 -13.962 -9.153 8.560 335 HA ARG 49 HA ARG 49 -15.923 -9.152 10.543 336 HB2 ARG 49 1HB ARG 49 -13.356 -7.659 10.158 337 HB3 ARG 49 2HB ARG 49 -14.414 -7.228 11.495 338 HG2 ARG 49 1HG ARG 49 -13.692 -10.088 11.115 339 HG3 ARG 49 2HG ARG 49 -12.491 -8.985 11.789 340 HD2 ARG 49 1HD ARG 49 -14.050 -8.343 13.547 341 HD3 ARG 49 2HD ARG 49 -15.280 -9.401 12.858 342 HE ARG 49 HE ARG 49 -12.982 -10.914 13.398 343 HH11 ARG 49 1HH1 ARG 49 -15.515 -9.210 15.072 344 HH12 ARG 49 2HH1 ARG 49 -15.453 -10.228 16.472 345 HH21 ARG 49 1HH2 ARG 49 -12.891 -12.262 15.236 346 HH22 ARG 49 2HH2 ARG 49 -13.959 -11.963 16.565 347 H ASN 50 H ASN 50 -14.652 -6.219 8.959 348 HA ASN 50 HA ASN 50 -16.655 -4.496 9.784 349 HB2 ASN 50 1HB ASN 50 -15.077 -4.381 7.203 350 HB3 ASN 50 2HB ASN 50 -15.955 -3.037 7.927 351 HD21 ASN 50 1HD2 ASN 50 -13.230 -5.194 8.272 352 HD22 ASN 50 2HD2 ASN 50 -12.345 -4.211 9.383 353 H SER 51 H SER 51 -18.676 -5.495 9.622 354 HA SER 51 HA SER 51 -19.702 -6.534 7.182 355 HB2 SER 51 1HB SER 51 -21.027 -5.715 9.770 356 HB3 SER 51 2HB SER 51 -21.922 -6.395 8.411 357 HG SER 51 HG SER 51 -19.654 -7.744 9.352 358 H GLY 52 H GLY 52 -20.127 -3.454 8.895 359 HA2 GLY 52 1HA GLY 52 -20.842 -2.202 6.353 360 HA3 GLY 52 2HA GLY 52 -22.022 -2.100 7.652 361 H SER 53 H SER 53 -18.478 -1.739 7.466 362 HA SER 53 HA SER 53 -18.655 0.583 9.213 363 HB2 SER 53 1HB SER 53 -16.920 -1.311 9.433 364 HB3 SER 53 2HB SER 53 -16.113 -0.554 8.059 365 HG SER 53 HG SER 53 -16.461 1.438 9.550 366 H ALA 54 H ALA 54 -18.090 2.649 8.654 367 HA ALA 54 HA ALA 54 -17.966 3.191 5.780 368 HB1 ALA 54 3HB ALA 54 -18.248 5.317 7.862 369 HB2 ALA 54 1HB ALA 54 -18.852 5.283 6.206 370 HB3 ALA 54 2HB ALA 54 -19.622 4.294 7.447 371 H GLU 55 H GLU 55 -16.380 4.315 8.774 372 HA GLU 55 HA GLU 55 -14.330 5.758 7.537 373 HB2 GLU 55 1HB GLU 55 -14.697 4.530 10.236 374 HB3 GLU 55 2HB GLU 55 -13.104 5.125 9.791 375 HG2 GLU 55 1HG GLU 55 -14.390 7.288 9.140 376 HG3 GLU 55 2HG GLU 55 -15.642 6.635 10.194 377 H ALA 56 H ALA 56 -14.466 2.373 8.568 378 HA ALA 56 HA ALA 56 -11.799 1.707 7.983 379 HB1 ALA 56 3HB ALA 56 -14.074 0.373 8.941 380 HB2 ALA 56 1HB ALA 56 -13.536 -0.526 7.521 381 HB3 ALA 56 2HB ALA 56 -12.420 -0.235 8.856 382 H ALA 57 H ALA 57 -14.743 1.517 6.013 383 HA ALA 57 HA ALA 57 -13.744 0.237 3.777 384 HB1 ALA 57 3HB ALA 57 -16.070 0.629 3.897 385 HB2 ALA 57 1HB ALA 57 -15.845 2.373 4.035 386 HB3 ALA 57 2HB ALA 57 -15.492 1.555 2.512 387 H GLU 58 H GLU 58 -14.009 3.775 4.196 388 HA GLU 58 HA GLU 58 -12.658 4.535 1.907 389 HB2 GLU 58 1HB GLU 58 -13.061 5.820 4.578 390 HB3 GLU 58 2HB GLU 58 -11.981 6.578 3.417 391 HG2 GLU 58 1HG GLU 58 -14.770 5.804 2.660 392 HG3 GLU 58 2HG GLU 58 -14.430 7.325 3.484 393 H ARG 59 H ARG 59 -11.214 4.521 5.171 394 HA ARG 59 HA ARG 59 -8.600 4.931 4.517 395 HB2 ARG 59 1HB ARG 59 -9.808 4.465 6.824 396 HB3 ARG 59 2HB ARG 59 -9.179 2.843 6.570 397 HG2 ARG 59 1HG ARG 59 -6.922 3.687 6.469 398 HG3 ARG 59 2HG ARG 59 -7.509 5.347 6.586 399 HD2 ARG 59 1HD ARG 59 -6.966 4.977 8.772 400 HD3 ARG 59 2HD ARG 59 -8.638 4.419 8.784 401 HE ARG 59 HE ARG 59 -7.893 2.279 9.142 402 HH11 ARG 59 1HH1 ARG 59 -5.221 4.293 8.180 403 HH12 ARG 59 2HH1 ARG 59 -4.021 3.093 8.530 404 HH21 ARG 59 1HH2 ARG 59 -6.322 0.691 9.607 405 HH22 ARG 59 2HH2 ARG 59 -4.649 1.045 9.341 406 H PHE 60 H PHE 60 -10.253 1.786 4.626 407 HA PHE 60 HA PHE 60 -8.144 0.120 4.023 408 HB2 PHE 60 1HB PHE 60 -10.576 -0.489 4.548 409 HB3 PHE 60 2HB PHE 60 -10.885 -0.261 2.829 410 HD1 PHE 60 1HD PHE 60 -8.831 -2.194 5.235 411 HD2 PHE 60 2HD PHE 60 -10.443 -1.967 1.302 412 HE1 PHE 60 1HE PHE 60 -8.096 -4.502 4.804 413 HE2 PHE 60 2HE PHE 60 -9.711 -4.275 0.866 414 HZ PHE 60 HZ PHE 60 -8.536 -5.546 2.618 415 H THR 61 H THR 61 -10.215 1.917 1.777 416 HA THR 61 HA THR 61 -9.164 0.928 -0.614 417 HB THR 61 HB THR 61 -10.303 3.674 -0.058 418 HG1 THR 61 1HG THR 61 -11.407 1.159 -0.648 419 HG21 THR 61 3HG2 THR 61 -8.885 3.095 -2.244 420 HG22 THR 61 1HG2 THR 61 -10.315 4.126 -2.292 421 HG23 THR 61 2HG2 THR 61 -10.438 2.427 -2.747 422 H ARG 62 H ARG 62 -8.199 3.759 1.303 423 HA ARG 62 HA ARG 62 -6.153 4.616 -0.444 424 HB2 ARG 62 1HB ARG 62 -6.916 5.180 2.380 425 HB3 ARG 62 2HB ARG 62 -5.303 5.645 1.857 426 HG2 ARG 62 1HG ARG 62 -6.616 6.733 -0.141 427 HG3 ARG 62 2HG ARG 62 -7.950 6.699 1.013 428 HD2 ARG 62 1HD ARG 62 -6.773 8.049 2.557 429 HD3 ARG 62 2HD ARG 62 -5.252 7.839 1.691 430 HE ARG 62 HE ARG 62 -5.839 9.587 0.351 431 HH11 ARG 62 1HH1 ARG 62 -8.715 8.322 1.851 432 HH12 ARG 62 2HH1 ARG 62 -9.746 9.564 1.222 433 HH21 ARG 62 1HH2 ARG 62 -7.187 11.227 -0.483 434 HH22 ARG 62 2HH2 ARG 62 -8.876 11.215 -0.106 435 H ILE 63 H ILE 63 -6.033 2.711 2.560 436 HA ILE 63 HA ILE 63 -3.359 2.307 2.856 437 HB ILE 63 HB ILE 63 -5.544 0.253 3.201 438 HG12 ILE 63 1HG1 ILE 63 -4.139 1.921 5.290 439 HG13 ILE 63 2HG1 ILE 63 -5.648 2.410 4.528 440 HG21 ILE 63 1HG2 ILE 63 -3.707 -1.111 3.213 441 HG22 ILE 63 2HG2 ILE 63 -2.628 0.164 3.778 442 HG23 ILE 63 3HG2 ILE 63 -3.737 -0.615 4.906 443 HD11 ILE 63 3HD1 ILE 63 -5.124 0.275 6.512 444 HD12 ILE 63 1HD1 ILE 63 -6.461 1.419 6.400 445 HD13 ILE 63 2HD1 ILE 63 -6.409 0.015 5.333 446 H SER 64 H SER 64 -5.471 0.142 0.958 447 HA SER 64 HA SER 64 -3.661 -1.586 -0.081 448 HB2 SER 64 1HB SER 64 -5.115 -1.762 -2.083 449 HB3 SER 64 2HB SER 64 -6.043 -1.742 -0.583 450 HG SER 64 HG SER 64 -7.039 -0.318 -1.930 451 H GLN 65 H GLN 65 -4.383 1.644 -1.368 452 HA GLN 65 HA GLN 65 -2.809 1.661 -3.616 453 HB2 GLN 65 1HB GLN 65 -3.061 3.972 -1.686 454 HB3 GLN 65 2HB GLN 65 -2.703 4.067 -3.405 455 HG2 GLN 65 1HG GLN 65 -5.007 2.844 -3.638 456 HG3 GLN 65 2HG GLN 65 -5.283 3.518 -2.032 457 HE21 GLN 65 1HE2 GLN 65 -6.531 5.230 -2.223 458 HE22 GLN 65 2HE2 GLN 65 -6.354 6.494 -3.387 459 H ALA 66 H ALA 66 -1.801 2.389 -0.289 460 HA ALA 66 HA ALA 66 0.838 3.087 -0.764 461 HB1 ALA 66 3HB ALA 66 1.259 2.243 1.567 462 HB2 ALA 66 1HB ALA 66 -0.065 3.399 1.409 463 HB3 ALA 66 2HB ALA 66 -0.411 1.678 1.584 464 H TYR 67 H TYR 67 -0.609 -0.118 -0.455 465 HA TYR 67 HA TYR 67 1.949 -1.448 -0.689 466 HB2 TYR 67 1HB TYR 67 -0.177 -2.239 0.609 467 HB3 TYR 67 2HB TYR 67 -0.691 -2.846 -0.961 468 HD1 TYR 67 1HD TYR 67 2.654 -2.791 0.703 469 HD2 TYR 67 2HD TYR 67 -0.482 -5.150 -0.942 470 HE1 TYR 67 1HE TYR 67 4.004 -4.817 1.051 471 HE2 TYR 67 2HE TYR 67 0.859 -7.182 -0.597 472 HH TYR 67 HH TYR 67 2.690 -8.026 0.443 473 H VAL 68 H VAL 68 0.736 0.300 -2.867 474 HA VAL 68 HA VAL 68 0.893 -1.682 -5.045 475 HB VAL 68 HB VAL 68 -0.607 0.941 -5.025 476 HG11 VAL 68 1HG1 VAL 68 -0.567 -1.134 -7.205 477 HG12 VAL 68 2HG1 VAL 68 -1.284 0.478 -7.252 478 HG13 VAL 68 3HG1 VAL 68 0.470 0.293 -7.208 479 HG21 VAL 68 3HG2 VAL 68 -2.399 -0.193 -4.355 480 HG22 VAL 68 1HG2 VAL 68 -2.174 -1.391 -5.629 481 HG23 VAL 68 2HG2 VAL 68 -1.357 -1.588 -4.079 482 H VAL 69 H VAL 69 1.390 1.799 -4.428 483 HA VAL 69 HA VAL 69 3.147 2.195 -6.600 484 HB VAL 69 HB VAL 69 2.875 3.796 -4.052 485 HG11 VAL 69 1HG1 VAL 69 3.745 5.607 -5.756 486 HG12 VAL 69 2HG1 VAL 69 4.868 4.583 -4.860 487 HG13 VAL 69 3HG1 VAL 69 4.467 4.199 -6.535 488 HG21 VAL 69 3HG2 VAL 69 1.743 5.246 -6.078 489 HG22 VAL 69 1HG2 VAL 69 1.281 3.595 -6.493 490 HG23 VAL 69 2HG2 VAL 69 0.859 4.258 -4.914 491 H LEU 70 H LEU 70 3.681 1.339 -3.226 492 HA LEU 70 HA LEU 70 6.576 1.304 -3.662 493 HB2 LEU 70 1HB LEU 70 5.231 0.678 -1.063 494 HB3 LEU 70 2HB LEU 70 6.848 1.316 -1.350 495 HG LEU 70 HG LEU 70 4.449 2.969 -2.029 496 HD11 LEU 70 1HD1 LEU 70 5.664 3.302 0.647 497 HD12 LEU 70 2HD1 LEU 70 4.556 1.947 0.432 498 HD13 LEU 70 3HD1 LEU 70 4.011 3.592 0.103 499 HD21 LEU 70 3HD2 LEU 70 7.088 3.849 -0.909 500 HD22 LEU 70 1HD2 LEU 70 5.919 4.771 -1.854 501 HD23 LEU 70 2HD2 LEU 70 6.885 3.515 -2.629 502 H GLY 71 H GLY 71 3.843 -0.788 -3.250 503 HA2 GLY 71 1HA GLY 71 4.789 -3.135 -2.300 504 HA3 GLY 71 2HA GLY 71 3.693 -3.058 -3.672 505 H SER 72 H SER 72 5.417 -1.869 -5.546 506 HA SER 72 HA SER 72 7.285 -4.097 -5.992 507 HB2 SER 72 1HB SER 72 5.359 -3.553 -7.641 508 HB3 SER 72 2HB SER 72 6.369 -2.194 -8.135 509 HG SER 72 HG SER 72 6.560 -4.426 -9.199 510 H ALA 73 H ALA 73 9.414 -3.737 -6.173 511 HA ALA 73 HA ALA 73 10.639 -1.444 -5.261 512 HB1 ALA 73 3HB ALA 73 12.427 -2.747 -5.406 513 HB2 ALA 73 1HB ALA 73 11.468 -3.930 -6.296 514 HB3 ALA 73 2HB ALA 73 12.366 -2.686 -7.167 515 H THR 74 H THR 74 10.562 -2.458 -8.685 516 HA THR 74 HA THR 74 11.652 -0.386 -9.967 517 HB THR 74 HB THR 74 9.001 -1.597 -10.779 518 HG1 THR 74 1HG THR 74 10.409 -3.267 -10.667 519 HG21 THR 74 3HG2 THR 74 11.053 0.028 -12.254 520 HG22 THR 74 1HG2 THR 74 9.309 0.272 -12.162 521 HG23 THR 74 2HG2 THR 74 9.964 -1.070 -13.100 522 H LEU 75 H LEU 75 8.142 -0.373 -9.305 523 HA LEU 75 HA LEU 75 7.503 2.161 -10.013 524 HB2 LEU 75 1HB LEU 75 6.537 0.791 -7.508 525 HB3 LEU 75 2HB LEU 75 5.726 2.110 -8.349 526 HG LEU 75 HG LEU 75 6.210 -0.588 -9.599 527 HD11 LEU 75 1HD1 LEU 75 3.688 0.371 -8.260 528 HD12 LEU 75 2HD1 LEU 75 4.828 -0.766 -7.541 529 HD13 LEU 75 3HD1 LEU 75 3.968 -1.196 -9.019 530 HD21 LEU 75 3HD2 LEU 75 3.949 1.085 -10.419 531 HD22 LEU 75 1HD2 LEU 75 5.118 0.194 -11.394 532 HD23 LEU 75 2HD2 LEU 75 5.533 1.784 -10.754 533 H ARG 76 H ARG 76 8.402 1.308 -6.664 534 HA ARG 76 HA ARG 76 8.525 3.713 -5.474 535 HB2 ARG 76 1HB ARG 76 9.267 1.385 -4.606 536 HB3 ARG 76 2HB ARG 76 10.868 1.858 -5.159 537 HG2 ARG 76 1HG ARG 76 10.607 3.928 -3.730 538 HG3 ARG 76 2HG ARG 76 9.187 3.146 -3.031 539 HD2 ARG 76 1HD ARG 76 10.890 1.143 -2.734 540 HD3 ARG 76 2HD ARG 76 12.067 2.455 -2.772 541 HE ARG 76 HE ARG 76 9.922 2.980 -0.964 542 HH11 ARG 76 1HH1 ARG 76 12.929 1.266 -1.337 543 HH12 ARG 76 2HH1 ARG 76 13.275 1.239 0.361 544 HH21 ARG 76 1HH2 ARG 76 10.366 2.951 1.273 545 HH22 ARG 76 2HH2 ARG 76 11.816 2.198 1.845 546 H ARG 77 H ARG 77 11.047 2.401 -7.598 547 HA ARG 77 HA ARG 77 12.816 4.589 -7.359 548 HB2 ARG 77 1HB ARG 77 12.493 2.529 -9.546 549 HB3 ARG 77 2HB ARG 77 13.811 3.691 -9.478 550 HG2 ARG 77 1HG ARG 77 14.824 2.651 -7.707 551 HG3 ARG 77 2HG ARG 77 13.317 1.943 -7.122 552 HD2 ARG 77 1HD ARG 77 13.423 0.177 -8.573 553 HD3 ARG 77 2HD ARG 77 14.333 1.085 -9.780 554 HE ARG 77 HE ARG 77 16.027 0.811 -7.633 555 HH11 ARG 77 1HH1 ARG 77 14.294 -1.330 -9.762 556 HH12 ARG 77 2HH1 ARG 77 15.465 -2.602 -9.649 557 HH21 ARG 77 1HH2 ARG 77 17.576 -0.857 -7.476 558 HH22 ARG 77 2HH2 ARG 77 17.330 -2.332 -8.348 559 H LYS 78 H LYS 78 10.177 3.876 -9.587 560 HA LYS 78 HA LYS 78 10.604 5.934 -11.430 561 HB2 LYS 78 1HB LYS 78 7.990 4.708 -10.528 562 HB3 LYS 78 2HB LYS 78 8.202 5.691 -11.971 563 HG2 LYS 78 1HG LYS 78 9.901 3.966 -12.722 564 HG3 LYS 78 2HG LYS 78 9.293 2.952 -11.411 565 HD2 LYS 78 1HD LYS 78 7.978 2.235 -13.154 566 HD3 LYS 78 2HD LYS 78 6.962 3.512 -12.482 567 HE2 LYS 78 1HE LYS 78 8.935 4.222 -14.596 568 HE3 LYS 78 2HE LYS 78 7.467 3.367 -15.069 569 HZ1 LYS 78 3HZ LYS 78 7.740 6.044 -13.866 570 HZ2 LYS 78 1HZ LYS 78 6.294 5.180 -13.702 571 HZ3 LYS 78 2HZ LYS 78 6.872 5.577 -15.241 572 H TYR 79 H TYR 79 8.273 5.909 -8.725 573 HA TYR 79 HA TYR 79 7.482 8.554 -8.881 574 HB2 TYR 79 1HB TYR 79 6.437 6.814 -7.435 575 HB3 TYR 79 2HB TYR 79 7.806 6.950 -6.336 576 HD1 TYR 79 1HD TYR 79 4.853 8.698 -7.683 577 HD2 TYR 79 2HD TYR 79 7.981 8.775 -4.800 578 HE1 TYR 79 1HE TYR 79 3.713 10.531 -6.503 579 HE2 TYR 79 2HE TYR 79 6.849 10.606 -3.612 580 HH TYR 79 HH TYR 79 4.109 11.353 -3.563 581 H ASP 80 H ASP 80 10.376 7.177 -7.490 582 HA ASP 80 HA ASP 80 11.233 9.319 -5.917 583 HB2 ASP 80 1HB ASP 80 12.258 7.033 -5.973 584 HB3 ASP 80 2HB ASP 80 13.006 7.458 -7.510 585 H ARG 81 H ARG 81 11.739 8.663 -9.362 586 HA ARG 81 HA ARG 81 13.118 11.215 -9.680 587 HB2 ARG 81 1HB ARG 81 12.505 9.417 -11.984 588 HB3 ARG 81 2HB ARG 81 13.914 10.430 -11.698 589 HG2 ARG 81 1HG ARG 81 13.306 7.902 -10.182 590 HG3 ARG 81 2HG ARG 81 14.375 7.999 -11.582 591 HD2 ARG 81 1HD ARG 81 14.723 9.414 -8.942 592 HD3 ARG 81 2HD ARG 81 15.677 8.060 -9.544 593 HE ARG 81 HE ARG 81 15.860 10.109 -11.417 594 HH11 ARG 81 1HH1 ARG 81 16.770 9.503 -8.111 595 HH12 ARG 81 2HH1 ARG 81 18.148 10.551 -8.161 596 HH21 ARG 81 1HH2 ARG 81 17.673 11.492 -11.495 597 HH22 ARG 81 2HH2 ARG 81 18.661 11.682 -10.086 598 H GLY 82 H GLY 82 10.010 10.315 -9.482 599 HA2 GLY 82 1HA GLY 82 8.098 11.528 -9.966 600 HA3 GLY 82 2HA GLY 82 9.089 12.661 -10.873 601 H LEU 83 H LEU 83 9.132 9.225 -11.503 602 HA LEU 83 HA LEU 83 8.203 9.738 -14.210 603 HB2 LEU 83 1HB LEU 83 9.167 7.163 -12.978 604 HB3 LEU 83 2HB LEU 83 8.925 7.482 -14.694 605 HG LEU 83 HG LEU 83 10.873 9.166 -13.195 606 HD11 LEU 83 1HD1 LEU 83 11.807 7.233 -12.433 607 HD12 LEU 83 2HD1 LEU 83 12.547 7.302 -14.032 608 HD13 LEU 83 3HD1 LEU 83 11.151 6.262 -13.751 609 HD21 LEU 83 3HD2 LEU 83 10.650 8.085 -15.998 610 HD22 LEU 83 1HD2 LEU 83 12.045 8.984 -15.400 611 HD23 LEU 83 2HD2 LEU 83 10.461 9.757 -15.467 612 H LEU 84 H LEU 84 7.081 8.329 -11.253 613 HA LEU 84 HA LEU 84 5.068 6.642 -12.222 614 HB2 LEU 84 1HB LEU 84 5.933 6.849 -9.854 615 HB3 LEU 84 2HB LEU 84 4.900 8.268 -9.696 616 HG LEU 84 HG LEU 84 2.970 6.702 -10.318 617 HD11 LEU 84 1HD1 LEU 84 4.186 4.390 -9.171 618 HD12 LEU 84 2HD1 LEU 84 5.115 4.894 -10.582 619 HD13 LEU 84 3HD1 LEU 84 3.389 4.568 -10.734 620 HD21 LEU 84 3HD2 LEU 84 2.791 5.893 -7.985 621 HD22 LEU 84 1HD2 LEU 84 3.226 7.599 -8.098 622 HD23 LEU 84 2HD2 LEU 84 4.460 6.399 -7.714 623 H SER 85 H SER 85 2.970 6.948 -12.812 624 HA SER 85 HA SER 85 1.834 9.638 -12.673 625 HB2 SER 85 1HB SER 85 2.386 8.101 -15.195 626 HB3 SER 85 2HB SER 85 1.037 9.235 -15.120 627 HG SER 85 HG SER 85 2.708 10.766 -14.310 628 H ASP 86 H ASP 86 -0.507 9.586 -13.480 629 HA ASP 86 HA ASP 86 -2.044 7.959 -11.898 630 HB2 ASP 86 1HB ASP 86 -3.939 8.507 -13.436 631 HB3 ASP 86 2HB ASP 86 -2.996 9.911 -12.941 632 H GLU 87 H GLU 87 -1.449 7.476 -15.383 633 HA GLU 87 HA GLU 87 -2.787 5.233 -15.953 634 HB2 GLU 87 1HB GLU 87 0.062 5.909 -16.662 635 HB3 GLU 87 2HB GLU 87 -0.758 4.503 -17.326 636 HG2 GLU 87 1HG GLU 87 -2.538 6.069 -18.160 637 HG3 GLU 87 2HG GLU 87 -1.475 7.396 -17.697 638 H ASP 88 H ASP 88 0.121 5.374 -13.972 639 HA ASP 88 HA ASP 88 0.378 2.541 -13.691 640 HB2 ASP 88 1HB ASP 88 1.574 4.869 -12.185 641 HB3 ASP 88 2HB ASP 88 1.936 3.190 -11.791 642 H LEU 89 H LEU 89 -0.863 5.127 -11.591 643 HA LEU 89 HA LEU 89 -1.529 3.585 -9.380 644 HB2 LEU 89 1HB LEU 89 -2.927 6.017 -10.482 645 HB3 LEU 89 2HB LEU 89 -3.188 5.349 -8.872 646 HG LEU 89 HG LEU 89 -0.465 6.257 -9.746 647 HD11 LEU 89 1HD1 LEU 89 -1.972 8.159 -8.134 648 HD12 LEU 89 2HD1 LEU 89 -2.619 7.955 -9.762 649 HD13 LEU 89 3HD1 LEU 89 -0.935 8.427 -9.536 650 HD21 LEU 89 3HD2 LEU 89 0.111 5.999 -7.587 651 HD22 LEU 89 1HD2 LEU 89 -1.286 4.922 -7.542 652 HD23 LEU 89 2HD2 LEU 89 -1.441 6.591 -6.991 653 H ARG 90 H ARG 90 -3.511 4.386 -12.219 654 HA ARG 90 HA ARG 90 -5.678 2.703 -11.314 655 HB2 ARG 90 1HB ARG 90 -6.787 3.363 -13.386 656 HB3 ARG 90 2HB ARG 90 -6.142 4.771 -12.553 657 HG2 ARG 90 1HG ARG 90 -4.345 4.965 -14.090 658 HG3 ARG 90 2HG ARG 90 -4.712 3.396 -14.810 659 HD2 ARG 90 1HD ARG 90 -5.530 5.081 -16.288 660 HD3 ARG 90 2HD ARG 90 -6.922 4.326 -15.513 661 HE ARG 90 HE ARG 90 -6.014 6.675 -14.147 662 HH11 ARG 90 1HH1 ARG 90 -7.966 5.494 -16.776 663 HH12 ARG 90 2HH1 ARG 90 -9.002 6.883 -16.804 664 HH21 ARG 90 1HH2 ARG 90 -7.370 8.509 -14.173 665 HH22 ARG 90 2HH2 ARG 90 -8.661 8.598 -15.323 666 H GLY 91 H GLY 91 -3.064 2.552 -13.667 667 HA2 GLY 91 1HA GLY 91 -2.280 0.835 -14.975 668 HA3 GLY 91 2HA GLY 91 -2.843 -0.209 -13.679 669 HA PRO 92 HA PRO 92 -6.333 0.150 -17.053 670 HB2 PRO 92 1HB PRO 92 -5.427 0.825 -19.522 671 HB3 PRO 92 2HB PRO 92 -6.009 2.017 -18.354 672 HG2 PRO 92 1HG PRO 92 -3.198 1.229 -19.014 673 HG3 PRO 92 2HG PRO 92 -3.874 2.847 -18.749 674 HD2 PRO 92 1HD PRO 92 -2.477 1.521 -16.846 675 HD3 PRO 92 2HD PRO 92 -3.800 2.639 -16.455 676 H GLY 93 H GLY 93 -3.071 -0.950 -17.659 677 HA2 GLY 93 1HA GLY 93 -3.612 -2.882 -19.635 678 HA3 GLY 93 2HA GLY 93 -2.240 -2.901 -18.536 679 H SER 94 H SER 94 -5.389 -4.147 -19.211 680 HA SER 94 HA SER 94 -5.020 -6.125 -17.074 681 HB2 SER 94 1HB SER 94 -7.528 -4.533 -17.626 682 HB3 SER 94 2HB SER 94 -7.531 -6.031 -16.695 683 HG SER 94 HG SER 94 -6.455 -3.528 -16.053 684 H GLY 95 H GLY 95 -5.587 -8.187 -17.600 685 HA2 GLY 95 1HA GLY 95 -6.986 -9.711 -18.902 686 HA3 GLY 95 2HA GLY 95 -6.833 -8.591 -20.247 687 HA PRO 96 HA PRO 96 -2.634 -10.993 -19.697 688 HB2 PRO 96 1HB PRO 96 -2.879 -13.383 -18.432 689 HB3 PRO 96 2HB PRO 96 -2.485 -11.883 -17.584 690 HG2 PRO 96 1HG PRO 96 -5.121 -13.276 -17.842 691 HG3 PRO 96 2HG PRO 96 -4.390 -12.521 -16.414 692 HD2 PRO 96 1HD PRO 96 -6.301 -11.297 -17.891 693 HD3 PRO 96 2HD PRO 96 -5.014 -10.399 -17.060 694 H SER 97 H SER 97 -2.794 -11.352 -21.880 695 HA SER 97 HA SER 97 -4.478 -12.739 -23.408 696 HB2 SER 97 1HB SER 97 -1.475 -13.035 -23.654 697 HB3 SER 97 2HB SER 97 -2.657 -13.250 -24.945 698 HG SER 97 HG SER 97 -2.330 -11.203 -25.281 699 H SER 98 H SER 98 -5.260 -14.735 -23.590 700 HA SER 98 HA SER 98 -3.743 -17.084 -23.058 701 HB2 SER 98 1HB SER 98 -5.528 -16.011 -20.931 702 HB3 SER 98 2HB SER 98 -5.563 -17.751 -21.214 703 HG SER 98 HG SER 98 -3.420 -17.876 -20.718 704 H GLY 99 H GLY 99 -4.561 -18.717 -24.220 705 HA2 GLY 99 1HA GLY 99 -6.609 -20.016 -24.760 706 HA3 GLY 99 2HA GLY 99 -7.365 -18.471 -25.122 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 26.512 4.492 5.548 2 HA2 GLY 1 1HA GLY 1 25.970 5.404 7.680 3 HA3 GLY 1 2HA GLY 1 25.126 6.432 6.532 4 H SER 2 H SER 2 23.336 6.970 7.661 5 HA SER 2 HA SER 2 21.899 5.130 9.294 6 HB2 SER 2 1HB SER 2 20.256 6.924 9.530 7 HB3 SER 2 2HB SER 2 21.887 7.574 9.694 8 HG SER 2 HG SER 2 20.015 7.934 7.658 9 H SER 3 H SER 3 19.368 5.084 8.877 10 HA SER 3 HA SER 3 19.037 3.967 6.176 11 HB2 SER 3 1HB SER 3 17.263 2.583 7.103 12 HB3 SER 3 2HB SER 3 18.722 2.393 8.074 13 HG SER 3 HG SER 3 17.174 2.727 9.553 14 H GLY 4 H GLY 4 18.844 6.740 6.498 15 HA2 GLY 4 1HA GLY 4 17.480 8.457 5.809 16 HA3 GLY 4 2HA GLY 4 16.322 7.235 5.305 17 H SER 5 H SER 5 16.789 9.803 7.323 18 HA SER 5 HA SER 5 14.752 8.841 9.224 19 HB2 SER 5 1HB SER 5 16.890 10.947 9.621 20 HB3 SER 5 2HB SER 5 15.634 10.556 10.796 21 HG SER 5 HG SER 5 17.977 9.324 10.363 22 H SER 6 H SER 6 13.495 10.768 10.200 23 HA SER 6 HA SER 6 13.104 13.102 8.650 24 HB2 SER 6 1HB SER 6 12.086 11.148 7.238 25 HB3 SER 6 2HB SER 6 10.764 11.239 8.402 26 HG SER 6 HG SER 6 10.789 13.582 7.859 27 H GLY 7 H GLY 7 12.297 14.578 9.990 28 HA2 GLY 7 1HA GLY 7 11.220 13.744 12.544 29 HA3 GLY 7 2HA GLY 7 11.571 15.392 12.044 30 H SER 8 H SER 8 9.442 15.605 13.257 31 HA SER 8 HA SER 8 7.115 14.871 11.660 32 HB2 SER 8 1HB SER 8 5.800 15.670 13.569 33 HB3 SER 8 2HB SER 8 7.035 14.530 14.103 34 HG SER 8 HG SER 8 6.700 17.152 14.746 35 H GLN 9 H GLN 9 8.314 17.843 13.233 36 HA GLN 9 HA GLN 9 6.720 19.755 12.283 37 HB2 GLN 9 1HB GLN 9 9.708 19.716 12.524 38 HB3 GLN 9 2HB GLN 9 8.896 21.148 11.904 39 HG2 GLN 9 1HG GLN 9 7.475 21.051 14.015 40 HG3 GLN 9 2HG GLN 9 8.665 19.900 14.619 41 HE21 GLN 9 1HE2 GLN 9 7.925 22.647 15.471 42 HE22 GLN 9 2HE2 GLN 9 9.410 23.529 15.485 43 H GLY 10 H GLY 10 5.893 20.300 10.381 44 HA2 GLY 10 1HA GLY 10 7.008 21.037 8.084 45 HA3 GLY 10 2HA GLY 10 7.132 19.290 7.942 46 H ASP 11 H ASP 11 5.410 21.723 6.828 47 HA ASP 11 HA ASP 11 2.887 20.197 6.828 48 HB2 ASP 11 1HB ASP 11 2.971 23.164 6.375 49 HB3 ASP 11 2HB ASP 11 1.625 22.162 6.908 50 H CYS 12 H CYS 12 3.528 19.070 4.948 51 HA CYS 12 HA CYS 12 4.234 20.495 2.553 52 HB2 CYS 12 1HB CYS 12 3.635 17.603 3.154 53 HB3 CYS 12 2HB CYS 12 3.925 18.172 1.514 54 HG CYS 12 HG CYS 12 6.446 19.393 2.790 55 H SER 13 H SER 13 2.971 19.882 0.482 56 HA SER 13 HA SER 13 0.081 20.101 1.008 57 HB2 SER 13 1HB SER 13 0.920 22.299 0.364 58 HB3 SER 13 2HB SER 13 1.683 21.612 -1.070 59 HG SER 13 HG SER 13 -1.052 21.186 -0.719 60 H TYR 14 H TYR 14 2.509 19.384 -1.493 61 HA TYR 14 HA TYR 14 0.610 17.779 -2.978 62 HB2 TYR 14 1HB TYR 14 2.742 17.328 -4.387 63 HB3 TYR 14 2HB TYR 14 2.036 18.940 -4.412 64 HD1 TYR 14 1HD TYR 14 3.152 20.805 -3.298 65 HD2 TYR 14 2HD TYR 14 4.884 16.919 -3.341 66 HE1 TYR 14 1HE TYR 14 5.307 21.764 -2.600 67 HE2 TYR 14 2HE TYR 14 7.043 17.867 -2.641 68 HH TYR 14 HH TYR 14 8.145 19.697 -2.050 69 H SER 15 H SER 15 0.112 15.902 -2.002 70 HA SER 15 HA SER 15 1.374 14.359 -0.229 71 HB2 SER 15 1HB SER 15 0.289 12.380 -1.206 72 HB3 SER 15 2HB SER 15 -0.801 13.766 -1.215 73 HG SER 15 HG SER 15 -0.814 12.657 -3.214 74 H ARG 16 H ARG 16 3.343 13.548 -0.029 75 HA ARG 16 HA ARG 16 4.698 12.492 -2.411 76 HB2 ARG 16 1HB ARG 16 5.451 14.862 -1.590 77 HB3 ARG 16 2HB ARG 16 6.271 13.957 -0.325 78 HG2 ARG 16 1HG ARG 16 7.590 12.776 -1.932 79 HG3 ARG 16 2HG ARG 16 6.665 13.466 -3.267 80 HD2 ARG 16 1HD ARG 16 7.465 15.697 -2.669 81 HD3 ARG 16 2HD ARG 16 8.379 15.012 -1.326 82 HE ARG 16 HE ARG 16 9.320 13.657 -3.470 83 HH11 ARG 16 1HH1 ARG 16 8.929 17.043 -2.758 84 HH12 ARG 16 2HH1 ARG 16 10.276 17.536 -3.729 85 HH21 ARG 16 1HH2 ARG 16 11.096 14.294 -4.751 86 HH22 ARG 16 2HH2 ARG 16 11.508 15.972 -4.863 87 H THR 17 H THR 17 5.006 12.784 1.131 88 HA THR 17 HA THR 17 6.063 10.046 1.208 89 HB THR 17 HB THR 17 6.594 10.652 3.632 90 HG1 THR 17 1HG THR 17 5.261 12.502 3.782 91 HG21 THR 17 3HG2 THR 17 8.474 12.308 2.771 92 HG22 THR 17 1HG2 THR 17 7.884 11.779 1.196 93 HG23 THR 17 2HG2 THR 17 8.494 10.595 2.353 94 H ALA 18 H ALA 18 3.275 10.474 0.761 95 HA ALA 18 HA ALA 18 1.918 9.984 3.270 96 HB1 ALA 18 3HB ALA 18 1.077 11.208 1.070 97 HB2 ALA 18 1HB ALA 18 0.533 9.577 0.678 98 HB3 ALA 18 2HB ALA 18 -0.028 10.363 2.154 99 H LEU 19 H LEU 19 2.011 8.181 0.189 100 HA LEU 19 HA LEU 19 0.926 5.831 0.817 101 HB2 LEU 19 1HB LEU 19 3.623 5.681 -0.444 102 HB3 LEU 19 2HB LEU 19 2.137 4.833 -0.869 103 HG LEU 19 HG LEU 19 2.882 7.680 -1.512 104 HD11 LEU 19 1HD1 LEU 19 3.403 5.342 -2.850 105 HD12 LEU 19 2HD1 LEU 19 3.345 6.951 -3.569 106 HD13 LEU 19 3HD1 LEU 19 1.921 5.912 -3.618 107 HD21 LEU 19 3HD2 LEU 19 0.706 7.949 -2.498 108 HD22 LEU 19 1HD2 LEU 19 0.511 7.502 -0.803 109 HD23 LEU 19 2HD2 LEU 19 0.260 6.298 -2.067 110 H TYR 20 H TYR 20 4.096 6.897 1.920 111 HA TYR 20 HA TYR 20 4.778 4.426 3.178 112 HB2 TYR 20 1HB TYR 20 5.924 7.136 3.844 113 HB3 TYR 20 2HB TYR 20 6.691 5.562 4.029 114 HD1 TYR 20 2HD TYR 20 5.555 8.056 1.542 115 HD2 TYR 20 1HD TYR 20 7.895 4.573 2.244 116 HE1 TYR 20 2HE TYR 20 6.575 8.300 -0.682 117 HE2 TYR 20 1HE TYR 20 8.923 4.808 0.022 118 HH TYR 20 HH TYR 20 8.081 7.520 -2.113 119 H ASP 21 H ASP 21 3.769 7.595 4.459 120 HA ASP 21 HA ASP 21 3.655 6.987 7.140 121 HB2 ASP 21 1HB ASP 21 3.305 9.247 6.327 122 HB3 ASP 21 2HB ASP 21 1.802 8.767 5.544 123 H LEU 22 H LEU 22 1.294 6.265 4.628 124 HA LEU 22 HA LEU 22 -0.837 5.444 6.221 125 HB2 LEU 22 1HB LEU 22 0.079 4.810 3.461 126 HB3 LEU 22 2HB LEU 22 -1.208 3.834 4.167 127 HG LEU 22 HG LEU 22 -2.270 6.211 4.633 128 HD11 LEU 22 1HD1 LEU 22 -1.783 7.604 2.534 129 HD12 LEU 22 2HD1 LEU 22 -0.285 6.678 2.437 130 HD13 LEU 22 3HD1 LEU 22 -0.621 7.663 3.860 131 HD21 LEU 22 3HD2 LEU 22 -2.297 4.964 1.887 132 HD22 LEU 22 1HD2 LEU 22 -3.557 5.958 2.618 133 HD23 LEU 22 2HD2 LEU 22 -3.206 4.358 3.273 134 H LEU 23 H LEU 23 2.136 3.823 5.398 135 HA LEU 23 HA LEU 23 1.202 1.361 6.695 136 HB2 LEU 23 1HB LEU 23 3.307 2.005 4.707 137 HB3 LEU 23 2HB LEU 23 3.618 0.670 5.815 138 HG LEU 23 HG LEU 23 1.482 -0.370 5.033 139 HD11 LEU 23 1HD1 LEU 23 1.481 2.082 3.358 140 HD12 LEU 23 2HD1 LEU 23 0.137 1.216 4.102 141 HD13 LEU 23 3HD1 LEU 23 0.895 0.580 2.642 142 HD21 LEU 23 3HD2 LEU 23 3.485 -1.246 4.143 143 HD22 LEU 23 1HD2 LEU 23 3.724 0.155 3.099 144 HD23 LEU 23 2HD2 LEU 23 2.419 -0.983 2.762 145 H GLY 24 H GLY 24 4.205 3.298 6.592 146 HA2 GLY 24 1HA GLY 24 4.881 4.245 8.816 147 HA3 GLY 24 2HA GLY 24 4.580 2.633 9.447 148 H VAL 25 H VAL 25 6.021 3.036 6.314 149 HA VAL 25 HA VAL 25 8.575 2.073 7.424 150 HB VAL 25 HB VAL 25 9.018 1.148 5.159 151 HG11 VAL 25 1HG1 VAL 25 7.536 -0.767 5.371 152 HG12 VAL 25 2HG1 VAL 25 8.102 -0.248 6.960 153 HG13 VAL 25 3HG1 VAL 25 6.469 0.155 6.430 154 HG21 VAL 25 3HG2 VAL 25 6.127 1.814 4.614 155 HG22 VAL 25 1HG2 VAL 25 7.506 2.683 3.938 156 HG23 VAL 25 2HG2 VAL 25 7.246 0.987 3.531 157 HA PRO 26 HA PRO 26 10.629 5.684 5.992 158 HB2 PRO 26 1HB PRO 26 13.096 4.676 5.471 159 HB3 PRO 26 2HB PRO 26 12.482 4.914 7.112 160 HG2 PRO 26 1HG PRO 26 12.592 2.410 5.475 161 HG3 PRO 26 2HG PRO 26 12.979 2.644 7.190 162 HD2 PRO 26 1HD PRO 26 10.623 1.602 6.356 163 HD3 PRO 26 2HD PRO 26 10.764 2.587 7.826 164 H SER 27 H SER 27 12.313 6.274 4.144 165 HA SER 27 HA SER 27 10.954 5.691 1.671 166 HB2 SER 27 1HB SER 27 11.721 7.966 2.110 167 HB3 SER 27 2HB SER 27 13.386 7.402 2.246 168 HG SER 27 HG SER 27 11.780 7.161 -0.082 169 H THR 28 H THR 28 13.572 4.376 3.371 170 HA THR 28 HA THR 28 14.531 3.019 0.934 171 HB THR 28 HB THR 28 16.234 4.515 1.971 172 HG1 THR 28 1HG THR 28 17.156 1.896 2.387 173 HG21 THR 28 3HG2 THR 28 17.163 3.039 4.118 174 HG22 THR 28 1HG2 THR 28 15.415 3.055 4.351 175 HG23 THR 28 2HG2 THR 28 16.300 4.575 4.208 176 H ALA 29 H ALA 29 12.365 2.307 2.873 177 HA ALA 29 HA ALA 29 13.107 0.260 4.603 178 HB1 ALA 29 3HB ALA 29 10.550 0.037 3.090 179 HB2 ALA 29 1HB ALA 29 10.873 -0.215 4.806 180 HB3 ALA 29 2HB ALA 29 10.800 1.422 4.153 181 H THR 30 H THR 30 12.176 -2.092 4.167 182 HA THR 30 HA THR 30 13.322 -3.007 1.609 183 HB THR 30 HB THR 30 14.023 -5.072 2.734 184 HG1 THR 30 1HG THR 30 12.321 -4.568 4.510 185 HG21 THR 30 3HG2 THR 30 15.975 -4.203 3.521 186 HG22 THR 30 1HG2 THR 30 15.164 -2.991 4.512 187 HG23 THR 30 2HG2 THR 30 15.329 -2.742 2.774 188 H GLN 31 H GLN 31 12.456 -5.044 0.790 189 HA GLN 31 HA GLN 31 9.733 -5.072 0.476 190 HB2 GLN 31 1HB GLN 31 11.174 -6.344 -0.984 191 HB3 GLN 31 2HB GLN 31 11.666 -7.390 0.341 192 HG2 GLN 31 1HG GLN 31 9.671 -8.537 0.359 193 HG3 GLN 31 2HG GLN 31 8.787 -7.220 -0.410 194 HE21 GLN 31 1HE2 GLN 31 10.021 -6.668 -2.641 195 HE22 GLN 31 2HE2 GLN 31 10.154 -8.041 -3.680 196 H ALA 32 H ALA 32 11.620 -7.025 2.773 197 HA ALA 32 HA ALA 32 9.564 -8.472 3.925 198 HB1 ALA 32 3HB ALA 32 11.946 -7.372 5.406 199 HB2 ALA 32 1HB ALA 32 11.000 -8.803 5.815 200 HB3 ALA 32 2HB ALA 32 11.993 -8.789 4.357 201 H GLN 33 H GLN 33 10.464 -5.131 4.408 202 HA GLN 33 HA GLN 33 8.747 -4.803 6.710 203 HB2 GLN 33 1HB GLN 33 10.391 -2.877 5.073 204 HB3 GLN 33 2HB GLN 33 9.353 -2.355 6.393 205 HG2 GLN 33 1HG GLN 33 10.637 -3.933 7.875 206 HG3 GLN 33 2HG GLN 33 11.771 -4.130 6.539 207 HE21 GLN 33 1HE2 GLN 33 13.340 -2.675 6.284 208 HE22 GLN 33 2HE2 GLN 33 13.488 -1.204 7.178 209 H ILE 34 H ILE 34 8.854 -3.090 3.583 210 HA ILE 34 HA ILE 34 6.437 -1.874 3.595 211 HB ILE 34 HB ILE 34 7.685 -3.273 1.228 212 HG12 ILE 34 1HG1 ILE 34 7.861 -0.414 2.205 213 HG13 ILE 34 2HG1 ILE 34 9.152 -1.610 2.259 214 HG21 ILE 34 1HG2 ILE 34 5.397 -2.847 0.706 215 HG22 ILE 34 2HG2 ILE 34 5.488 -1.219 1.375 216 HG23 ILE 34 3HG2 ILE 34 6.365 -1.615 -0.103 217 HD11 ILE 34 3HD1 ILE 34 8.072 -0.082 -0.044 218 HD12 ILE 34 1HD1 ILE 34 9.741 -0.438 0.398 219 HD13 ILE 34 2HD1 ILE 34 8.735 -1.690 -0.331 220 H LYS 35 H LYS 35 7.016 -5.278 3.342 221 HA LYS 35 HA LYS 35 4.350 -5.909 2.427 222 HB2 LYS 35 1HB LYS 35 6.265 -7.320 1.796 223 HB3 LYS 35 2HB LYS 35 6.536 -7.709 3.489 224 HG2 LYS 35 1HG LYS 35 4.227 -8.693 3.527 225 HG3 LYS 35 2HG LYS 35 4.194 -8.491 1.774 226 HD2 LYS 35 1HD LYS 35 6.495 -9.768 1.926 227 HD3 LYS 35 2HD LYS 35 5.816 -10.347 3.449 228 HE2 LYS 35 1HE LYS 35 3.942 -11.304 2.340 229 HE3 LYS 35 2HE LYS 35 4.353 -10.507 0.822 230 HZ1 LYS 35 3HZ LYS 35 5.242 -12.519 0.388 231 HZ2 LYS 35 1HZ LYS 35 5.470 -12.913 2.018 232 HZ3 LYS 35 2HZ LYS 35 6.568 -11.894 1.233 233 H ALA 36 H ALA 36 6.172 -6.781 5.371 234 HA ALA 36 HA ALA 36 4.058 -7.732 6.869 235 HB1 ALA 36 3HB ALA 36 5.671 -6.511 8.747 236 HB2 ALA 36 1HB ALA 36 5.853 -8.150 8.121 237 HB3 ALA 36 2HB ALA 36 6.763 -6.823 7.398 238 H ALA 37 H ALA 37 4.818 -4.475 6.023 239 HA ALA 37 HA ALA 37 3.347 -3.205 8.119 240 HB1 ALA 37 3HB ALA 37 4.894 -1.764 7.240 241 HB2 ALA 37 1HB ALA 37 4.632 -2.316 5.585 242 HB3 ALA 37 2HB ALA 37 3.454 -1.255 6.358 243 H TYR 38 H TYR 38 2.681 -3.744 4.658 244 HA TYR 38 HA TYR 38 0.111 -2.665 4.614 245 HB2 TYR 38 1HB TYR 38 1.066 -3.086 2.516 246 HB3 TYR 38 2HB TYR 38 1.493 -4.741 2.938 247 HD1 TYR 38 1HD TYR 38 -1.542 -2.595 2.538 248 HD2 TYR 38 2HD TYR 38 0.201 -6.449 2.075 249 HE1 TYR 38 1HE TYR 38 -3.606 -3.394 1.465 250 HE2 TYR 38 2HE TYR 38 -1.858 -7.258 1.000 251 HH TYR 38 HH TYR 38 -4.771 -5.501 1.055 252 H TYR 39 H TYR 39 1.261 -5.640 5.912 253 HA TYR 39 HA TYR 39 -1.254 -7.014 5.887 254 HB2 TYR 39 1HB TYR 39 1.434 -7.509 7.098 255 HB3 TYR 39 2HB TYR 39 0.052 -8.418 7.699 256 HD1 TYR 39 1HD TYR 39 -1.506 -8.931 5.294 257 HD2 TYR 39 2HD TYR 39 2.713 -8.983 5.845 258 HE1 TYR 39 1HE TYR 39 -1.287 -10.508 3.420 259 HE2 TYR 39 2HE TYR 39 2.944 -10.559 3.971 260 HH TYR 39 HH TYR 39 1.687 -12.122 2.716 261 H ARG 40 H ARG 40 0.723 -5.759 8.582 262 HA ARG 40 HA ARG 40 -0.980 -6.043 10.663 263 HB2 ARG 40 1HB ARG 40 0.025 -4.000 11.650 264 HB3 ARG 40 2HB ARG 40 1.219 -5.094 10.965 265 HG2 ARG 40 1HG ARG 40 1.710 -3.679 9.213 266 HG3 ARG 40 2HG ARG 40 0.161 -2.840 9.322 267 HD2 ARG 40 1HD ARG 40 1.752 -1.322 10.157 268 HD3 ARG 40 2HD ARG 40 0.951 -1.989 11.579 269 HE ARG 40 HE ARG 40 3.352 -3.386 10.836 270 HH11 ARG 40 1HH1 ARG 40 2.029 -0.713 12.632 271 HH12 ARG 40 2HH1 ARG 40 3.365 -0.621 13.731 272 HH21 ARG 40 1HH2 ARG 40 5.116 -3.275 12.277 273 HH22 ARG 40 2HH2 ARG 40 5.121 -2.079 13.528 274 H GLN 41 H GLN 41 -1.394 -3.932 7.962 275 HA GLN 41 HA GLN 41 -3.356 -2.237 9.195 276 HB2 GLN 41 1HB GLN 41 -2.565 -2.652 6.310 277 HB3 GLN 41 2HB GLN 41 -3.756 -1.470 6.837 278 HG2 GLN 41 1HG GLN 41 -0.834 -1.536 7.547 279 HG3 GLN 41 2HG GLN 41 -1.650 -0.380 6.496 280 HE21 GLN 41 1HE2 GLN 41 -0.084 0.177 8.836 281 HE22 GLN 41 2HE2 GLN 41 -1.123 0.978 9.960 282 H CYS 42 H CYS 42 -3.413 -5.036 7.036 283 HA CYS 42 HA CYS 42 -6.125 -5.089 6.435 284 HB2 CYS 42 1HB CYS 42 -4.230 -7.414 6.832 285 HB3 CYS 42 2HB CYS 42 -5.810 -7.526 6.066 286 HG CYS 42 HG CYS 42 -5.194 -6.252 3.789 287 H PHE 43 H PHE 43 -4.432 -6.092 9.325 288 HA PHE 43 HA PHE 43 -6.653 -7.494 10.467 289 HB2 PHE 43 1HB PHE 43 -4.467 -8.135 11.194 290 HB3 PHE 43 2HB PHE 43 -4.056 -6.478 11.625 291 HD1 PHE 43 2HD PHE 43 -6.013 -9.434 12.588 292 HD2 PHE 43 1HD PHE 43 -4.718 -5.539 13.712 293 HE1 PHE 43 2HE PHE 43 -6.772 -9.850 14.891 294 HE2 PHE 43 1HE PHE 43 -5.474 -5.949 16.017 295 HZ PHE 43 HZ PHE 43 -6.503 -8.106 16.609 296 H LEU 44 H LEU 44 -5.136 -4.336 11.095 297 HA LEU 44 HA LEU 44 -6.686 -3.398 13.135 298 HB2 LEU 44 1HB LEU 44 -5.403 -2.071 10.794 299 HB3 LEU 44 2HB LEU 44 -6.452 -1.121 11.845 300 HG LEU 44 HG LEU 44 -4.004 -2.627 12.763 301 HD11 LEU 44 1HD1 LEU 44 -4.350 0.338 12.352 302 HD12 LEU 44 2HD1 LEU 44 -3.501 -0.734 11.238 303 HD13 LEU 44 3HD1 LEU 44 -2.892 -0.506 12.877 304 HD21 LEU 44 3HD2 LEU 44 -5.959 -0.800 14.132 305 HD22 LEU 44 1HD2 LEU 44 -4.336 -1.088 14.761 306 HD23 LEU 44 2HD2 LEU 44 -5.467 -2.431 14.593 307 H TYR 45 H TYR 45 -7.575 -3.738 9.768 308 HA TYR 45 HA TYR 45 -10.360 -3.273 10.481 309 HB2 TYR 45 1HB TYR 45 -9.139 -1.831 8.126 310 HB3 TYR 45 2HB TYR 45 -10.770 -1.655 8.764 311 HD1 TYR 45 1HD TYR 45 -11.174 -0.389 10.816 312 HD2 TYR 45 2HD TYR 45 -7.262 -0.732 9.178 313 HE1 TYR 45 1HE TYR 45 -10.422 1.472 12.238 314 HE2 TYR 45 2HE TYR 45 -6.499 1.126 10.597 315 HH TYR 45 HH TYR 45 -8.750 2.957 12.595 316 H HIS 46 H HIS 46 -11.160 -5.202 9.930 317 HA HIS 46 HA HIS 46 -10.288 -6.474 7.443 318 HB2 HIS 46 1HB HIS 46 -11.578 -7.425 9.954 319 HB3 HIS 46 2HB HIS 46 -11.929 -8.308 8.471 320 HD2 HIS 46 2HD HIS 46 -9.042 -7.813 11.002 321 HE1 HIS 46 1HE HIS 46 -7.716 -10.520 8.016 322 HE2 HIS 46 2HE HIS 46 -7.250 -9.535 10.287 323 HA PRO 47 HA PRO 47 -13.946 -5.625 5.178 324 HB2 PRO 47 1HB PRO 47 -14.397 -7.968 3.883 325 HB3 PRO 47 2HB PRO 47 -13.067 -6.881 3.466 326 HG2 PRO 47 1HG PRO 47 -13.029 -9.367 5.133 327 HG3 PRO 47 2HG PRO 47 -11.876 -8.831 3.897 328 HD2 PRO 47 1HD PRO 47 -11.410 -8.539 6.549 329 HD3 PRO 47 2HD PRO 47 -10.808 -7.386 5.341 330 H ASP 48 H ASP 48 -14.120 -8.856 6.682 331 HA ASP 48 HA ASP 48 -16.974 -8.832 6.823 332 HB2 ASP 48 1HB ASP 48 -16.766 -10.917 8.007 333 HB3 ASP 48 2HB ASP 48 -15.584 -10.910 6.701 334 H ARG 49 H ARG 49 -14.419 -8.579 9.296 335 HA ARG 49 HA ARG 49 -15.764 -8.309 11.591 336 HB2 ARG 49 1HB ARG 49 -13.452 -6.691 10.555 337 HB3 ARG 49 2HB ARG 49 -14.096 -6.416 12.169 338 HG2 ARG 49 1HG ARG 49 -13.736 -8.891 12.580 339 HG3 ARG 49 2HG ARG 49 -12.801 -8.896 11.083 340 HD2 ARG 49 1HD ARG 49 -11.138 -8.524 12.616 341 HD3 ARG 49 2HD ARG 49 -11.581 -6.866 12.210 342 HE ARG 49 HE ARG 49 -13.118 -7.753 14.400 343 HH11 ARG 49 1HH1 ARG 49 -9.870 -6.813 13.570 344 HH12 ARG 49 2HH1 ARG 49 -9.485 -6.255 15.165 345 HH21 ARG 49 1HH2 ARG 49 -12.623 -7.022 16.503 346 HH22 ARG 49 2HH2 ARG 49 -11.051 -6.375 16.832 347 H ASN 50 H ASN 50 -15.306 -5.606 9.314 348 HA ASN 50 HA ASN 50 -17.165 -3.947 10.778 349 HB2 ASN 50 1HB ASN 50 -15.612 -3.542 8.220 350 HB3 ASN 50 2HB ASN 50 -16.746 -2.349 8.847 351 HD21 ASN 50 1HD2 ASN 50 -13.685 -3.911 9.295 352 HD22 ASN 50 2HD2 ASN 50 -13.077 -2.830 10.498 353 H SER 51 H SER 51 -19.163 -3.205 10.030 354 HA SER 51 HA SER 51 -20.377 -4.885 7.936 355 HB2 SER 51 1HB SER 51 -21.683 -3.563 10.327 356 HB3 SER 51 2HB SER 51 -22.535 -4.487 9.090 357 HG SER 51 HG SER 51 -21.471 -6.322 9.745 358 H GLY 52 H GLY 52 -20.694 -1.664 9.442 359 HA2 GLY 52 1HA GLY 52 -21.045 -0.528 6.759 360 HA3 GLY 52 2HA GLY 52 -22.291 -0.225 7.961 361 H SER 53 H SER 53 -18.808 0.129 7.381 362 HA SER 53 HA SER 53 -18.919 2.662 8.875 363 HB2 SER 53 1HB SER 53 -17.766 0.635 10.057 364 HB3 SER 53 2HB SER 53 -16.447 0.959 8.932 365 HG SER 53 HG SER 53 -17.485 2.600 10.973 366 H ALA 54 H ALA 54 -18.600 4.224 7.440 367 HA ALA 54 HA ALA 54 -17.398 3.888 4.918 368 HB1 ALA 54 3HB ALA 54 -17.624 6.243 4.649 369 HB2 ALA 54 1HB ALA 54 -19.027 5.680 5.558 370 HB3 ALA 54 2HB ALA 54 -17.705 6.496 6.392 371 H GLU 55 H GLU 55 -16.173 5.614 7.795 372 HA GLU 55 HA GLU 55 -13.734 6.424 6.988 373 HB2 GLU 55 1HB GLU 55 -14.466 5.108 9.603 374 HB3 GLU 55 2HB GLU 55 -12.912 5.879 9.322 375 HG2 GLU 55 1HG GLU 55 -14.041 8.001 8.886 376 HG3 GLU 55 2HG GLU 55 -15.599 7.228 9.173 377 H ALA 56 H ALA 56 -14.492 3.124 8.066 378 HA ALA 56 HA ALA 56 -11.894 2.083 7.706 379 HB1 ALA 56 3HB ALA 56 -13.694 -0.025 7.322 380 HB2 ALA 56 1HB ALA 56 -12.886 0.439 8.820 381 HB3 ALA 56 2HB ALA 56 -14.485 1.083 8.444 382 H ALA 57 H ALA 57 -14.718 2.231 5.579 383 HA ALA 57 HA ALA 57 -13.733 0.659 3.485 384 HB1 ALA 57 3HB ALA 57 -15.769 2.844 3.643 385 HB2 ALA 57 1HB ALA 57 -15.317 2.157 2.083 386 HB3 ALA 57 2HB ALA 57 -15.996 1.122 3.339 387 H GLU 58 H GLU 58 -13.787 4.225 3.694 388 HA GLU 58 HA GLU 58 -12.285 4.746 1.422 389 HB2 GLU 58 1HB GLU 58 -11.767 6.928 2.464 390 HB3 GLU 58 2HB GLU 58 -13.469 6.506 2.588 391 HG2 GLU 58 1HG GLU 58 -13.148 5.819 4.897 392 HG3 GLU 58 2HG GLU 58 -11.430 6.194 4.780 393 H ARG 59 H ARG 59 -11.252 3.806 4.627 394 HA ARG 59 HA ARG 59 -8.493 4.424 4.260 395 HB2 ARG 59 1HB ARG 59 -9.897 3.972 6.448 396 HB3 ARG 59 2HB ARG 59 -9.395 2.310 6.168 397 HG2 ARG 59 1HG ARG 59 -7.700 2.999 7.515 398 HG3 ARG 59 2HG ARG 59 -7.018 3.433 5.946 399 HD2 ARG 59 1HD ARG 59 -8.673 5.393 7.493 400 HD3 ARG 59 2HD ARG 59 -6.965 5.165 7.869 401 HE ARG 59 HE ARG 59 -7.145 5.566 5.131 402 HH11 ARG 59 1HH1 ARG 59 -7.829 7.327 8.055 403 HH12 ARG 59 2HH1 ARG 59 -7.531 8.879 7.345 404 HH21 ARG 59 1HH2 ARG 59 -6.751 7.604 4.184 405 HH22 ARG 59 2HH2 ARG 59 -6.919 9.035 5.143 406 H PHE 60 H PHE 60 -9.959 1.209 4.722 407 HA PHE 60 HA PHE 60 -7.976 -0.414 3.935 408 HB2 PHE 60 1HB PHE 60 -10.445 -0.965 4.520 409 HB3 PHE 60 2HB PHE 60 -10.708 -0.899 2.781 410 HD1 PHE 60 1HD PHE 60 -8.264 -2.409 5.168 411 HD2 PHE 60 2HD PHE 60 -10.639 -2.897 1.669 412 HE1 PHE 60 1HE PHE 60 -7.488 -4.735 4.970 413 HE2 PHE 60 2HE PHE 60 -9.868 -5.224 1.466 414 HZ PHE 60 HZ PHE 60 -8.291 -6.147 3.118 415 H THR 61 H THR 61 -9.917 1.580 1.801 416 HA THR 61 HA THR 61 -8.987 0.453 -0.638 417 HB THR 61 HB THR 61 -10.251 3.128 -0.030 418 HG1 THR 61 1HG THR 61 -11.952 1.940 -1.336 419 HG21 THR 61 3HG2 THR 61 -9.593 1.900 -2.710 420 HG22 THR 61 1HG2 THR 61 -8.883 3.362 -2.027 421 HG23 THR 61 2HG2 THR 61 -10.591 3.333 -2.466 422 H ARG 62 H ARG 62 -8.119 3.436 1.109 423 HA ARG 62 HA ARG 62 -6.087 4.242 -0.661 424 HB2 ARG 62 1HB ARG 62 -6.868 4.923 2.130 425 HB3 ARG 62 2HB ARG 62 -5.260 5.394 1.596 426 HG2 ARG 62 1HG ARG 62 -6.623 6.334 -0.470 427 HG3 ARG 62 2HG ARG 62 -7.916 6.382 0.730 428 HD2 ARG 62 1HD ARG 62 -6.269 7.598 2.233 429 HD3 ARG 62 2HD ARG 62 -5.250 7.770 0.804 430 HE ARG 62 HE ARG 62 -7.867 8.688 0.257 431 HH11 ARG 62 1HH1 ARG 62 -4.970 9.557 1.981 432 HH12 ARG 62 2HH1 ARG 62 -5.261 11.261 1.874 433 HH21 ARG 62 1HH2 ARG 62 -8.261 10.930 0.109 434 HH22 ARG 62 2HH2 ARG 62 -7.134 12.041 0.810 435 H ILE 63 H ILE 63 -5.803 2.666 2.528 436 HA ILE 63 HA ILE 63 -3.162 2.303 2.805 437 HB ILE 63 HB ILE 63 -5.233 0.144 3.220 438 HG12 ILE 63 1HG1 ILE 63 -4.025 1.952 5.304 439 HG13 ILE 63 2HG1 ILE 63 -5.462 2.418 4.401 440 HG21 ILE 63 1HG2 ILE 63 -2.815 -0.605 3.118 441 HG22 ILE 63 2HG2 ILE 63 -2.558 0.355 4.573 442 HG23 ILE 63 3HG2 ILE 63 -3.692 -0.995 4.597 443 HD11 ILE 63 3HD1 ILE 63 -6.245 1.505 6.406 444 HD12 ILE 63 1HD1 ILE 63 -6.483 0.240 5.201 445 HD13 ILE 63 2HD1 ILE 63 -5.126 0.145 6.324 446 H SER 64 H SER 64 -5.222 0.250 0.758 447 HA SER 64 HA SER 64 -3.302 -1.538 -0.133 448 HB2 SER 64 1HB SER 64 -5.884 -0.526 -1.221 449 HB3 SER 64 2HB SER 64 -4.830 -1.415 -2.321 450 HG SER 64 HG SER 64 -5.637 -3.122 -1.413 451 H GLN 65 H GLN 65 -4.235 1.586 -1.547 452 HA GLN 65 HA GLN 65 -2.670 1.616 -3.797 453 HB2 GLN 65 1HB GLN 65 -2.941 4.027 -2.012 454 HB3 GLN 65 2HB GLN 65 -2.810 3.984 -3.765 455 HG2 GLN 65 1HG GLN 65 -5.154 3.169 -2.073 456 HG3 GLN 65 2HG GLN 65 -5.059 4.496 -3.230 457 HE21 GLN 65 1HE2 GLN 65 -6.729 1.961 -2.938 458 HE22 GLN 65 2HE2 GLN 65 -6.675 1.254 -4.513 459 H ALA 66 H ALA 66 -1.695 2.434 -0.491 460 HA ALA 66 HA ALA 66 0.938 3.230 -1.101 461 HB1 ALA 66 3HB ALA 66 -0.462 2.348 1.382 462 HB2 ALA 66 1HB ALA 66 1.294 2.517 1.387 463 HB3 ALA 66 2HB ALA 66 0.276 3.903 0.996 464 H TYR 67 H TYR 67 -0.514 0.094 -0.537 465 HA TYR 67 HA TYR 67 2.005 -1.284 -0.335 466 HB2 TYR 67 1HB TYR 67 -0.062 -2.089 0.794 467 HB3 TYR 67 2HB TYR 67 -0.761 -2.425 -0.786 468 HD1 TYR 67 1HD TYR 67 2.721 -3.044 0.367 469 HD2 TYR 67 2HD TYR 67 -1.003 -4.752 -0.782 470 HE1 TYR 67 1HE TYR 67 3.745 -5.280 0.395 471 HE2 TYR 67 2HE TYR 67 0.011 -6.993 -0.756 472 HH TYR 67 HH TYR 67 2.470 -7.883 0.725 473 H VAL 68 H VAL 68 0.658 0.214 -2.846 474 HA VAL 68 HA VAL 68 1.351 -1.860 -4.812 475 HB VAL 68 HB VAL 68 -0.126 0.715 -5.347 476 HG11 VAL 68 1HG1 VAL 68 1.006 -0.396 -7.260 477 HG12 VAL 68 2HG1 VAL 68 0.018 -1.827 -6.960 478 HG13 VAL 68 3HG1 VAL 68 -0.747 -0.308 -7.429 479 HG21 VAL 68 3HG2 VAL 68 -1.872 -1.485 -5.546 480 HG22 VAL 68 1HG2 VAL 68 -1.041 -1.636 -3.998 481 HG23 VAL 68 2HG2 VAL 68 -1.927 -0.160 -4.383 482 H VAL 69 H VAL 69 1.444 1.703 -4.797 483 HA VAL 69 HA VAL 69 3.465 2.048 -6.628 484 HB VAL 69 HB VAL 69 3.007 3.774 -4.191 485 HG11 VAL 69 1HG1 VAL 69 5.122 4.046 -5.659 486 HG12 VAL 69 2HG1 VAL 69 4.007 4.726 -6.846 487 HG13 VAL 69 3HG1 VAL 69 4.169 5.474 -5.256 488 HG21 VAL 69 3HG2 VAL 69 1.577 3.540 -6.801 489 HG22 VAL 69 1HG2 VAL 69 0.925 3.756 -5.177 490 HG23 VAL 69 2HG2 VAL 69 1.689 5.111 -6.008 491 H LEU 70 H LEU 70 3.796 1.734 -3.101 492 HA LEU 70 HA LEU 70 6.687 1.709 -3.297 493 HB2 LEU 70 1HB LEU 70 5.147 1.059 -0.817 494 HB3 LEU 70 2HB LEU 70 6.731 1.816 -0.975 495 HG LEU 70 HG LEU 70 4.244 3.227 -1.884 496 HD11 LEU 70 1HD1 LEU 70 3.582 3.742 0.182 497 HD12 LEU 70 2HD1 LEU 70 5.233 3.990 0.746 498 HD13 LEU 70 3HD1 LEU 70 4.552 2.364 0.705 499 HD21 LEU 70 3HD2 LEU 70 6.133 4.350 -2.640 500 HD22 LEU 70 1HD2 LEU 70 7.056 3.985 -1.182 501 HD23 LEU 70 2HD2 LEU 70 5.756 5.176 -1.127 502 H GLY 71 H GLY 71 4.096 -0.553 -3.218 503 HA2 GLY 71 1HA GLY 71 4.964 -2.814 -2.055 504 HA3 GLY 71 2HA GLY 71 4.195 -2.834 -3.635 505 H SER 72 H SER 72 6.207 -1.567 -5.129 506 HA SER 72 HA SER 72 8.300 -3.636 -5.040 507 HB2 SER 72 1HB SER 72 6.981 -2.182 -7.313 508 HB3 SER 72 2HB SER 72 8.595 -2.863 -7.517 509 HG SER 72 HG SER 72 7.772 -4.890 -7.052 510 H ALA 73 H ALA 73 10.430 -2.936 -5.955 511 HA ALA 73 HA ALA 73 11.286 -0.546 -4.603 512 HB1 ALA 73 3HB ALA 73 12.871 -2.203 -4.415 513 HB2 ALA 73 1HB ALA 73 12.653 -2.751 -6.077 514 HB3 ALA 73 2HB ALA 73 13.524 -1.253 -5.749 515 H THR 74 H THR 74 11.299 -1.650 -7.990 516 HA THR 74 HA THR 74 12.391 0.554 -9.212 517 HB THR 74 HB THR 74 10.148 -1.204 -10.219 518 HG1 THR 74 1HG THR 74 12.041 -2.035 -11.455 519 HG21 THR 74 3HG2 THR 74 11.760 -0.047 -12.291 520 HG22 THR 74 1HG2 THR 74 11.059 1.231 -11.299 521 HG23 THR 74 2HG2 THR 74 10.013 0.035 -12.065 522 H LEU 75 H LEU 75 8.900 -0.001 -8.711 523 HA LEU 75 HA LEU 75 7.871 2.323 -9.684 524 HB2 LEU 75 1HB LEU 75 7.043 0.886 -7.167 525 HB3 LEU 75 2HB LEU 75 6.073 2.102 -7.995 526 HG LEU 75 HG LEU 75 6.881 -0.569 -9.143 527 HD11 LEU 75 1HD1 LEU 75 4.676 0.257 -7.442 528 HD12 LEU 75 2HD1 LEU 75 5.220 -1.360 -7.888 529 HD13 LEU 75 3HD1 LEU 75 4.136 -0.469 -8.956 530 HD21 LEU 75 3HD2 LEU 75 5.288 -0.010 -10.921 531 HD22 LEU 75 1HD2 LEU 75 6.626 1.138 -10.856 532 HD23 LEU 75 2HD2 LEU 75 5.050 1.583 -10.200 533 H ARG 76 H ARG 76 8.721 1.880 -6.244 534 HA ARG 76 HA ARG 76 8.355 4.305 -5.196 535 HB2 ARG 76 1HB ARG 76 10.571 2.341 -4.835 536 HB3 ARG 76 2HB ARG 76 10.717 3.912 -4.058 537 HG2 ARG 76 1HG ARG 76 8.303 3.376 -3.201 538 HG3 ARG 76 2HG ARG 76 8.785 1.711 -3.537 539 HD2 ARG 76 1HD ARG 76 10.389 3.619 -1.844 540 HD3 ARG 76 2HD ARG 76 9.211 2.481 -1.192 541 HE ARG 76 HE ARG 76 11.060 1.107 -2.813 542 HH11 ARG 76 1HH1 ARG 76 10.831 2.725 0.261 543 HH12 ARG 76 2HH1 ARG 76 12.075 1.773 1.002 544 HH21 ARG 76 1HH2 ARG 76 12.699 -0.153 -1.849 545 HH22 ARG 76 2HH2 ARG 76 13.137 0.137 -0.199 546 H ARG 77 H ARG 77 11.264 3.462 -7.072 547 HA ARG 77 HA ARG 77 12.477 5.977 -6.991 548 HB2 ARG 77 1HB ARG 77 12.627 3.898 -9.183 549 HB3 ARG 77 2HB ARG 77 13.750 5.232 -8.959 550 HG2 ARG 77 1HG ARG 77 14.713 4.282 -7.088 551 HG3 ARG 77 2HG ARG 77 13.308 3.268 -6.755 552 HD2 ARG 77 1HD ARG 77 14.769 1.713 -7.600 553 HD3 ARG 77 2HD ARG 77 13.918 2.198 -9.066 554 HE ARG 77 HE ARG 77 16.093 3.873 -8.880 555 HH11 ARG 77 1HH1 ARG 77 15.561 0.438 -9.090 556 HH12 ARG 77 2HH1 ARG 77 17.054 0.126 -9.912 557 HH21 ARG 77 1HH2 ARG 77 18.061 3.474 -9.962 558 HH22 ARG 77 2HH2 ARG 77 18.476 1.853 -10.406 559 H LYS 78 H LYS 78 10.321 4.577 -9.451 560 HA LYS 78 HA LYS 78 10.262 6.539 -11.332 561 HB2 LYS 78 1HB LYS 78 7.788 5.159 -10.281 562 HB3 LYS 78 2HB LYS 78 8.011 5.845 -11.885 563 HG2 LYS 78 1HG LYS 78 9.781 4.177 -12.313 564 HG3 LYS 78 2HG LYS 78 9.445 3.459 -10.736 565 HD2 LYS 78 1HD LYS 78 8.138 2.128 -12.060 566 HD3 LYS 78 2HD LYS 78 6.978 3.402 -11.677 567 HE2 LYS 78 1HE LYS 78 7.798 4.539 -13.814 568 HE3 LYS 78 2HE LYS 78 8.551 2.993 -14.204 569 HZ1 LYS 78 3HZ LYS 78 6.405 1.936 -14.121 570 HZ2 LYS 78 1HZ LYS 78 6.339 3.244 -15.193 571 HZ3 LYS 78 2HZ LYS 78 5.659 3.380 -13.650 572 H TYR 79 H TYR 79 7.937 6.427 -8.625 573 HA TYR 79 HA TYR 79 6.786 8.903 -8.988 574 HB2 TYR 79 1HB TYR 79 6.147 7.076 -7.322 575 HB3 TYR 79 2HB TYR 79 7.363 7.768 -6.254 576 HD1 TYR 79 1HD TYR 79 4.274 8.631 -8.142 577 HD2 TYR 79 2HD TYR 79 6.822 9.568 -4.866 578 HE1 TYR 79 1HE TYR 79 2.622 10.264 -7.332 579 HE2 TYR 79 2HE TYR 79 5.178 11.203 -4.047 580 HH TYR 79 HH TYR 79 2.994 11.872 -4.239 581 H ASP 80 H ASP 80 9.783 8.094 -7.320 582 HA ASP 80 HA ASP 80 10.307 10.554 -6.116 583 HB2 ASP 80 1HB ASP 80 11.563 8.240 -6.007 584 HB3 ASP 80 2HB ASP 80 12.549 8.953 -7.280 585 H ARG 81 H ARG 81 10.641 9.523 -9.427 586 HA ARG 81 HA ARG 81 11.846 12.122 -10.109 587 HB2 ARG 81 1HB ARG 81 11.748 9.842 -12.041 588 HB3 ARG 81 2HB ARG 81 12.917 11.150 -11.917 589 HG2 ARG 81 1HG ARG 81 12.683 8.941 -9.891 590 HG3 ARG 81 2HG ARG 81 13.768 8.885 -11.282 591 HD2 ARG 81 1HD ARG 81 14.579 11.194 -10.388 592 HD3 ARG 81 2HD ARG 81 13.856 10.653 -8.873 593 HE ARG 81 HE ARG 81 15.451 8.578 -9.695 594 HH11 ARG 81 1HH1 ARG 81 15.913 11.950 -8.964 595 HH12 ARG 81 2HH1 ARG 81 17.546 11.744 -8.424 596 HH21 ARG 81 1HH2 ARG 81 17.601 8.293 -8.987 597 HH22 ARG 81 2HH2 ARG 81 18.506 9.663 -8.439 598 H GLY 82 H GLY 82 8.932 10.656 -9.968 599 HA2 GLY 82 1HA GLY 82 6.886 11.361 -10.786 600 HA3 GLY 82 2HA GLY 82 7.731 12.558 -11.756 601 H LEU 83 H LEU 83 8.698 9.247 -11.987 602 HA LEU 83 HA LEU 83 7.907 9.201 -14.771 603 HB2 LEU 83 1HB LEU 83 9.322 7.126 -13.102 604 HB3 LEU 83 2HB LEU 83 9.116 7.073 -14.852 605 HG LEU 83 HG LEU 83 10.556 9.371 -13.589 606 HD11 LEU 83 1HD1 LEU 83 12.405 8.220 -13.094 607 HD12 LEU 83 2HD1 LEU 83 12.266 7.199 -14.526 608 HD13 LEU 83 3HD1 LEU 83 11.352 6.805 -13.070 609 HD21 LEU 83 3HD2 LEU 83 11.788 9.214 -15.771 610 HD22 LEU 83 1HD2 LEU 83 10.077 9.622 -15.903 611 HD23 LEU 83 2HD2 LEU 83 10.622 7.983 -16.260 612 H LEU 84 H LEU 84 6.669 8.108 -11.782 613 HA LEU 84 HA LEU 84 5.221 5.841 -12.675 614 HB2 LEU 84 1HB LEU 84 5.786 6.466 -10.292 615 HB3 LEU 84 2HB LEU 84 4.475 7.641 -10.383 616 HG LEU 84 HG LEU 84 3.088 5.491 -11.077 617 HD11 LEU 84 1HD1 LEU 84 5.241 4.125 -10.940 618 HD12 LEU 84 2HD1 LEU 84 3.815 3.482 -10.126 619 HD13 LEU 84 3HD1 LEU 84 5.081 4.277 -9.190 620 HD21 LEU 84 3HD2 LEU 84 2.442 5.256 -8.730 621 HD22 LEU 84 1HD2 LEU 84 2.608 6.951 -9.186 622 HD23 LEU 84 2HD2 LEU 84 3.873 6.164 -8.243 623 H SER 85 H SER 85 3.485 5.747 -13.926 624 HA SER 85 HA SER 85 2.055 8.195 -14.581 625 HB2 SER 85 1HB SER 85 2.844 6.410 -16.276 626 HB3 SER 85 2HB SER 85 1.455 5.474 -15.723 627 HG SER 85 HG SER 85 1.112 6.897 -17.591 628 H ASP 86 H ASP 86 -0.222 8.397 -14.453 629 HA ASP 86 HA ASP 86 -1.399 7.729 -12.067 630 HB2 ASP 86 1HB ASP 86 -2.457 8.561 -14.725 631 HB3 ASP 86 2HB ASP 86 -3.611 7.961 -13.537 632 H GLU 87 H GLU 87 -1.616 5.968 -15.137 633 HA GLU 87 HA GLU 87 -3.465 4.038 -14.474 634 HB2 GLU 87 1HB GLU 87 -0.970 3.756 -16.157 635 HB3 GLU 87 2HB GLU 87 -2.265 2.569 -16.103 636 HG2 GLU 87 1HG GLU 87 -2.861 5.409 -16.804 637 HG3 GLU 87 2HG GLU 87 -2.200 4.310 -18.013 638 H ASP 88 H ASP 88 -0.047 4.186 -13.645 639 HA ASP 88 HA ASP 88 0.245 1.591 -12.623 640 HB2 ASP 88 1HB ASP 88 1.660 4.118 -11.746 641 HB3 ASP 88 2HB ASP 88 2.199 2.472 -11.428 642 H LEU 89 H LEU 89 -0.504 4.634 -10.930 643 HA LEU 89 HA LEU 89 -0.673 3.814 -8.349 644 HB2 LEU 89 1HB LEU 89 -2.583 5.631 -9.808 645 HB3 LEU 89 2HB LEU 89 -2.496 5.481 -8.055 646 HG LEU 89 HG LEU 89 -0.088 6.300 -9.641 647 HD11 LEU 89 1HD1 LEU 89 -1.733 8.428 -8.442 648 HD12 LEU 89 2HD1 LEU 89 -2.368 7.702 -9.918 649 HD13 LEU 89 3HD1 LEU 89 -0.762 8.431 -9.915 650 HD21 LEU 89 3HD2 LEU 89 0.824 6.488 -7.629 651 HD22 LEU 89 1HD2 LEU 89 -0.658 5.848 -6.918 652 HD23 LEU 89 2HD2 LEU 89 -0.456 7.589 -7.118 653 H ARG 90 H ARG 90 -3.494 3.803 -10.540 654 HA ARG 90 HA ARG 90 -5.121 2.274 -8.817 655 HB2 ARG 90 1HB ARG 90 -6.571 1.973 -10.802 656 HB3 ARG 90 2HB ARG 90 -6.102 3.649 -10.550 657 HG2 ARG 90 1HG ARG 90 -4.434 3.473 -12.301 658 HG3 ARG 90 2HG ARG 90 -4.830 1.768 -12.527 659 HD2 ARG 90 1HD ARG 90 -6.904 3.922 -12.798 660 HD3 ARG 90 2HD ARG 90 -5.862 3.468 -14.145 661 HE ARG 90 HE ARG 90 -7.109 1.190 -12.992 662 HH11 ARG 90 1HH1 ARG 90 -7.691 3.910 -15.086 663 HH12 ARG 90 2HH1 ARG 90 -8.956 3.124 -15.971 664 HH21 ARG 90 1HH2 ARG 90 -8.774 0.145 -14.150 665 HH22 ARG 90 2HH2 ARG 90 -9.572 0.983 -15.437 666 H GLY 91 H GLY 91 -3.059 1.384 -11.557 667 HA2 GLY 91 1HA GLY 91 -1.872 -0.687 -11.608 668 HA3 GLY 91 2HA GLY 91 -3.119 -1.390 -10.589 669 HA PRO 92 HA PRO 92 -3.864 -1.931 -15.322 670 HB2 PRO 92 1HB PRO 92 -2.462 -4.198 -15.835 671 HB3 PRO 92 2HB PRO 92 -1.783 -2.580 -16.048 672 HG2 PRO 92 1HG PRO 92 -1.441 -4.493 -13.770 673 HG3 PRO 92 2HG PRO 92 -0.226 -3.482 -14.574 674 HD2 PRO 92 1HD PRO 92 -1.349 -2.804 -12.206 675 HD3 PRO 92 2HD PRO 92 -0.837 -1.595 -13.400 676 H GLY 93 H GLY 93 -4.756 -4.053 -16.335 677 HA2 GLY 93 1HA GLY 93 -5.985 -5.734 -14.251 678 HA3 GLY 93 2HA GLY 93 -6.992 -4.966 -15.469 679 H SER 94 H SER 94 -5.910 -5.355 -17.799 680 HA SER 94 HA SER 94 -6.451 -7.940 -18.526 681 HB2 SER 94 1HB SER 94 -4.783 -5.791 -19.785 682 HB3 SER 94 2HB SER 94 -4.821 -7.397 -20.513 683 HG SER 94 HG SER 94 -6.830 -5.480 -20.309 684 H GLY 95 H GLY 95 -5.398 -9.851 -18.585 685 HA2 GLY 95 1HA GLY 95 -2.590 -10.161 -18.529 686 HA3 GLY 95 2HA GLY 95 -3.226 -10.337 -16.900 687 HA PRO 96 HA PRO 96 -3.909 -14.588 -17.771 688 HB2 PRO 96 1HB PRO 96 -5.779 -15.130 -15.879 689 HB3 PRO 96 2HB PRO 96 -4.071 -14.876 -15.498 690 HG2 PRO 96 1HG PRO 96 -6.364 -12.963 -15.287 691 HG3 PRO 96 2HG PRO 96 -5.035 -13.246 -14.148 692 HD2 PRO 96 1HD PRO 96 -5.063 -11.150 -15.861 693 HD3 PRO 96 2HD PRO 96 -3.560 -11.945 -15.350 694 H SER 97 H SER 97 -5.805 -16.151 -18.080 695 HA SER 97 HA SER 97 -7.324 -15.422 -20.253 696 HB2 SER 97 1HB SER 97 -8.804 -17.392 -19.614 697 HB3 SER 97 2HB SER 97 -7.082 -17.741 -19.768 698 HG SER 97 HG SER 97 -8.688 -17.635 -17.484 699 H SER 98 H SER 98 -9.153 -14.323 -20.586 700 HA SER 98 HA SER 98 -11.003 -13.870 -18.371 701 HB2 SER 98 1HB SER 98 -9.570 -11.934 -18.231 702 HB3 SER 98 2HB SER 98 -9.693 -11.660 -19.969 703 HG SER 98 HG SER 98 -11.953 -11.291 -19.634 704 H GLY 99 H GLY 99 -13.076 -12.943 -19.096 705 HA2 GLY 99 1HA GLY 99 -14.651 -12.454 -20.810 706 HA3 GLY 99 2HA GLY 99 -13.604 -13.266 -21.964 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 16.053 16.254 2.946 2 HA2 GLY 1 1HA GLY 1 14.099 14.673 4.317 3 HA3 GLY 1 2HA GLY 1 15.672 14.588 5.096 4 H SER 2 H SER 2 12.881 15.938 5.572 5 HA SER 2 HA SER 2 13.851 18.047 7.171 6 HB2 SER 2 1HB SER 2 14.159 19.131 4.955 7 HB3 SER 2 2HB SER 2 12.432 18.944 4.650 8 HG SER 2 HG SER 2 12.330 20.123 6.832 9 H SER 3 H SER 3 12.414 18.376 8.744 10 HA SER 3 HA SER 3 9.646 17.481 8.287 11 HB2 SER 3 1HB SER 3 10.889 16.177 9.979 12 HB3 SER 3 2HB SER 3 11.169 17.654 10.899 13 HG SER 3 HG SER 3 9.315 17.267 11.786 14 H GLY 4 H GLY 4 8.306 19.131 7.978 15 HA2 GLY 4 1HA GLY 4 7.543 20.998 9.785 16 HA3 GLY 4 2HA GLY 4 8.905 21.770 8.986 17 H SER 5 H SER 5 5.586 21.010 8.814 18 HA SER 5 HA SER 5 5.461 22.072 6.067 19 HB2 SER 5 1HB SER 5 3.605 20.140 7.473 20 HB3 SER 5 2HB SER 5 3.255 20.880 5.911 21 HG SER 5 HG SER 5 5.627 19.418 6.396 22 H SER 6 H SER 6 3.270 23.131 5.614 23 HA SER 6 HA SER 6 1.759 24.270 7.701 24 HB2 SER 6 1HB SER 6 3.899 25.500 8.085 25 HB3 SER 6 2HB SER 6 3.761 26.172 6.460 26 HG SER 6 HG SER 6 2.662 27.072 8.690 27 H GLY 7 H GLY 7 0.124 25.731 6.934 28 HA2 GLY 7 1HA GLY 7 -0.535 27.025 4.833 29 HA3 GLY 7 2HA GLY 7 -0.278 25.487 4.023 30 H SER 8 H SER 8 -2.683 27.314 4.597 31 HA SER 8 HA SER 8 -4.421 25.417 5.987 32 HB2 SER 8 1HB SER 8 -6.023 27.189 6.140 33 HB3 SER 8 2HB SER 8 -4.452 27.888 6.535 34 HG SER 8 HG SER 8 -4.485 28.329 4.093 35 H GLN 9 H GLN 9 -6.681 25.200 5.021 36 HA GLN 9 HA GLN 9 -6.662 23.743 2.729 37 HB2 GLN 9 1HB GLN 9 -9.080 24.192 2.534 38 HB3 GLN 9 2HB GLN 9 -8.602 23.831 4.187 39 HG2 GLN 9 1HG GLN 9 -8.737 26.131 4.804 40 HG3 GLN 9 2HG GLN 9 -8.978 26.619 3.128 41 HE21 GLN 9 1HE2 GLN 9 -10.981 27.173 2.715 42 HE22 GLN 9 2HE2 GLN 9 -12.402 26.479 3.413 43 H GLY 10 H GLY 10 -6.714 24.077 0.565 44 HA2 GLY 10 1HA GLY 10 -7.489 26.493 -0.683 45 HA3 GLY 10 2HA GLY 10 -5.740 26.455 -0.520 46 H ASP 11 H ASP 11 -4.560 24.779 -1.584 47 HA ASP 11 HA ASP 11 -5.992 23.730 -3.930 48 HB2 ASP 11 1HB ASP 11 -3.000 23.989 -3.685 49 HB3 ASP 11 2HB ASP 11 -3.967 23.831 -5.148 50 H CYS 12 H CYS 12 -4.950 21.673 -4.830 51 HA CYS 12 HA CYS 12 -5.448 19.508 -3.334 52 HB2 CYS 12 1HB CYS 12 -3.448 19.963 -5.509 53 HB3 CYS 12 2HB CYS 12 -3.450 18.414 -4.675 54 HG CYS 12 HG CYS 12 -5.973 17.667 -5.418 55 H SER 13 H SER 13 -4.256 18.018 -2.058 56 HA SER 13 HA SER 13 -2.256 19.331 -0.388 57 HB2 SER 13 1HB SER 13 -4.025 16.929 -0.058 58 HB3 SER 13 2HB SER 13 -2.595 17.111 0.958 59 HG SER 13 HG SER 13 -4.652 18.038 1.752 60 H TYR 14 H TYR 14 -0.166 18.725 -0.247 61 HA TYR 14 HA TYR 14 1.138 17.460 -2.306 62 HB2 TYR 14 1HB TYR 14 3.088 17.458 -0.951 63 HB3 TYR 14 2HB TYR 14 2.147 18.854 -0.437 64 HD1 TYR 14 1HD TYR 14 0.569 18.463 1.611 65 HD2 TYR 14 2HD TYR 14 3.884 15.977 0.645 66 HE1 TYR 14 1HE TYR 14 0.632 17.656 3.934 67 HE2 TYR 14 2HE TYR 14 3.956 15.162 2.965 68 HH TYR 14 HH TYR 14 1.857 15.078 4.952 69 H SER 15 H SER 15 0.181 16.028 0.807 70 HA SER 15 HA SER 15 0.294 13.830 1.513 71 HB2 SER 15 1HB SER 15 -1.365 12.490 0.407 72 HB3 SER 15 2HB SER 15 -1.919 14.163 0.352 73 HG SER 15 HG SER 15 -0.482 12.938 -1.760 74 H ARG 16 H ARG 16 2.698 14.412 0.314 75 HA ARG 16 HA ARG 16 3.324 12.437 -1.688 76 HB2 ARG 16 1HB ARG 16 4.981 14.414 -0.129 77 HB3 ARG 16 2HB ARG 16 5.705 13.240 -1.220 78 HG2 ARG 16 1HG ARG 16 4.635 14.191 -3.104 79 HG3 ARG 16 2HG ARG 16 3.588 15.186 -2.089 80 HD2 ARG 16 1HD ARG 16 5.599 16.382 -1.272 81 HD3 ARG 16 2HD ARG 16 6.577 15.441 -2.397 82 HE ARG 16 HE ARG 16 4.444 16.790 -3.719 83 HH11 ARG 16 1HH1 ARG 16 7.621 17.233 -2.366 84 HH12 ARG 16 2HH1 ARG 16 8.013 18.574 -3.391 85 HH21 ARG 16 1HH2 ARG 16 4.949 18.553 -5.075 86 HH22 ARG 16 2HH2 ARG 16 6.492 19.324 -4.931 87 H THR 17 H THR 17 3.820 12.843 1.778 88 HA THR 17 HA THR 17 5.154 10.239 1.919 89 HB THR 17 HB THR 17 5.448 10.884 4.374 90 HG1 THR 17 1HG THR 17 5.070 13.542 3.557 91 HG21 THR 17 3HG2 THR 17 7.466 11.875 3.907 92 HG22 THR 17 1HG2 THR 17 6.787 12.922 2.661 93 HG23 THR 17 2HG2 THR 17 7.073 11.216 2.319 94 H ALA 18 H ALA 18 2.409 10.233 1.272 95 HA ALA 18 HA ALA 18 0.966 9.560 3.704 96 HB1 ALA 18 3HB ALA 18 -0.976 9.544 2.420 97 HB2 ALA 18 1HB ALA 18 0.005 10.802 1.667 98 HB3 ALA 18 2HB ALA 18 -0.101 9.205 0.927 99 H LEU 19 H LEU 19 1.572 7.891 0.604 100 HA LEU 19 HA LEU 19 0.726 5.377 1.263 101 HB2 LEU 19 1HB LEU 19 3.275 5.688 -0.261 102 HB3 LEU 19 2HB LEU 19 1.936 4.577 -0.540 103 HG LEU 19 HG LEU 19 2.101 7.499 -1.241 104 HD11 LEU 19 1HD1 LEU 19 3.037 5.605 -2.716 105 HD12 LEU 19 2HD1 LEU 19 1.983 6.810 -3.455 106 HD13 LEU 19 3HD1 LEU 19 1.345 5.221 -3.031 107 HD21 LEU 19 3HD2 LEU 19 -0.204 7.392 -1.950 108 HD22 LEU 19 1HD2 LEU 19 -0.099 6.991 -0.236 109 HD23 LEU 19 2HD2 LEU 19 -0.321 5.710 -1.429 110 H TYR 20 H TYR 20 3.443 7.053 2.519 111 HA TYR 20 HA TYR 20 4.656 4.612 3.571 112 HB2 TYR 20 1HB TYR 20 5.595 7.469 3.881 113 HB3 TYR 20 2HB TYR 20 6.511 6.011 4.246 114 HD1 TYR 20 2HD TYR 20 4.924 7.879 1.451 115 HD2 TYR 20 1HD TYR 20 7.834 4.995 2.600 116 HE1 TYR 20 2HE TYR 20 5.815 7.873 -0.841 117 HE2 TYR 20 1HE TYR 20 8.734 4.983 0.311 118 HH TYR 20 HH TYR 20 7.137 6.165 -2.298 119 H ASP 21 H ASP 21 2.728 7.320 4.553 120 HA ASP 21 HA ASP 21 3.169 6.949 7.375 121 HB2 ASP 21 1HB ASP 21 2.637 9.159 6.865 122 HB3 ASP 21 2HB ASP 21 1.382 8.696 5.718 123 H LEU 22 H LEU 22 0.716 6.048 5.014 124 HA LEU 22 HA LEU 22 -1.272 5.134 6.735 125 HB2 LEU 22 1HB LEU 22 -0.459 4.418 3.949 126 HB3 LEU 22 2HB LEU 22 -1.725 3.497 4.759 127 HG LEU 22 HG LEU 22 -2.730 5.919 5.145 128 HD11 LEU 22 1HD1 LEU 22 -0.801 6.223 2.886 129 HD12 LEU 22 2HD1 LEU 22 -1.179 7.338 4.200 130 HD13 LEU 22 3HD1 LEU 22 -2.322 7.117 2.875 131 HD21 LEU 22 3HD2 LEU 22 -3.305 3.773 3.544 132 HD22 LEU 22 1HD2 LEU 22 -3.193 5.097 2.383 133 HD23 LEU 22 2HD2 LEU 22 -4.315 5.206 3.739 134 H LEU 23 H LEU 23 1.675 3.579 5.625 135 HA LEU 23 HA LEU 23 0.979 1.109 7.018 136 HB2 LEU 23 1HB LEU 23 3.064 1.910 5.047 137 HB3 LEU 23 2HB LEU 23 3.371 0.525 6.094 138 HG LEU 23 HG LEU 23 1.346 -0.563 5.216 139 HD11 LEU 23 1HD1 LEU 23 0.610 0.599 2.944 140 HD12 LEU 23 2HD1 LEU 23 1.071 2.046 3.839 141 HD13 LEU 23 3HD1 LEU 23 -0.164 0.967 4.486 142 HD21 LEU 23 3HD2 LEU 23 3.190 -1.332 4.091 143 HD22 LEU 23 1HD2 LEU 23 3.590 0.256 3.436 144 HD23 LEU 23 2HD2 LEU 23 2.250 -0.666 2.755 145 H GLY 24 H GLY 24 3.392 3.698 7.100 146 HA2 GLY 24 1HA GLY 24 4.222 4.536 9.186 147 HA3 GLY 24 2HA GLY 24 3.971 2.942 9.883 148 H VAL 25 H VAL 25 5.454 3.310 6.757 149 HA VAL 25 HA VAL 25 8.013 2.448 7.935 150 HB VAL 25 HB VAL 25 8.541 1.440 5.765 151 HG11 VAL 25 1HG1 VAL 25 6.207 -0.045 5.875 152 HG12 VAL 25 2HG1 VAL 25 7.681 -0.338 6.800 153 HG13 VAL 25 3HG1 VAL 25 6.372 0.614 7.502 154 HG21 VAL 25 3HG2 VAL 25 7.401 2.766 4.196 155 HG22 VAL 25 1HG2 VAL 25 6.596 1.198 4.134 156 HG23 VAL 25 2HG2 VAL 25 5.850 2.539 5.003 157 HA PRO 26 HA PRO 26 9.952 6.128 6.511 158 HB2 PRO 26 1HB PRO 26 12.487 5.221 6.160 159 HB3 PRO 26 2HB PRO 26 11.772 5.484 7.756 160 HG2 PRO 26 1HG PRO 26 12.088 2.935 6.218 161 HG3 PRO 26 2HG PRO 26 12.367 3.244 7.942 162 HD2 PRO 26 1HD PRO 26 10.111 2.064 7.021 163 HD3 PRO 26 2HD PRO 26 10.125 3.104 8.460 164 H SER 27 H SER 27 11.201 7.028 4.693 165 HA SER 27 HA SER 27 10.183 6.144 2.205 166 HB2 SER 27 1HB SER 27 10.658 8.493 2.556 167 HB3 SER 27 2HB SER 27 12.361 8.143 2.855 168 HG SER 27 HG SER 27 12.686 8.125 0.784 169 H THR 28 H THR 28 12.939 5.263 4.016 170 HA THR 28 HA THR 28 14.178 4.013 1.654 171 HB THR 28 HB THR 28 15.735 5.483 2.743 172 HG1 THR 28 1HG THR 28 16.704 3.581 2.070 173 HG21 THR 28 3HG2 THR 28 15.175 5.901 4.905 174 HG22 THR 28 1HG2 THR 28 16.359 4.631 5.209 175 HG23 THR 28 2HG2 THR 28 14.638 4.248 5.199 176 H ALA 29 H ALA 29 11.922 3.098 3.525 177 HA ALA 29 HA ALA 29 12.686 0.998 5.144 178 HB1 ALA 29 3HB ALA 29 10.364 1.955 4.804 179 HB2 ALA 29 1HB ALA 29 10.240 0.897 3.398 180 HB3 ALA 29 2HB ALA 29 10.469 0.206 5.005 181 H THR 30 H THR 30 12.054 -1.387 4.584 182 HA THR 30 HA THR 30 13.325 -2.085 2.016 183 HB THR 30 HB THR 30 14.875 -2.643 3.768 184 HG1 THR 30 1HG THR 30 14.947 -4.942 3.443 185 HG21 THR 30 3HG2 THR 30 12.990 -2.751 5.527 186 HG22 THR 30 1HG2 THR 30 14.369 -3.834 5.713 187 HG23 THR 30 2HG2 THR 30 12.850 -4.445 5.058 188 H GLN 31 H GLN 31 12.581 -3.968 0.963 189 HA GLN 31 HA GLN 31 9.951 -4.370 0.648 190 HB2 GLN 31 1HB GLN 31 12.282 -6.195 0.366 191 HB3 GLN 31 2HB GLN 31 10.679 -6.912 0.269 192 HG2 GLN 31 1HG GLN 31 11.905 -4.835 -1.510 193 HG3 GLN 31 2HG GLN 31 11.292 -6.432 -1.939 194 HE21 GLN 31 1HE2 GLN 31 10.596 -3.144 -1.705 195 HE22 GLN 31 2HE2 GLN 31 8.899 -3.224 -2.021 196 H ALA 32 H ALA 32 11.928 -6.130 3.022 197 HA ALA 32 HA ALA 32 9.993 -7.781 4.097 198 HB1 ALA 32 3HB ALA 32 11.526 -7.029 6.283 199 HB2 ALA 32 1HB ALA 32 11.843 -8.371 5.183 200 HB3 ALA 32 2HB ALA 32 12.594 -6.800 4.899 201 H GLN 33 H GLN 33 10.782 -4.441 5.010 202 HA GLN 33 HA GLN 33 8.814 -4.300 7.067 203 HB2 GLN 33 1HB GLN 33 10.378 -2.179 5.597 204 HB3 GLN 33 2HB GLN 33 9.250 -1.812 6.895 205 HG2 GLN 33 1HG GLN 33 10.588 -3.295 8.382 206 HG3 GLN 33 2HG GLN 33 11.766 -3.448 7.080 207 HE21 GLN 33 1HE2 GLN 33 13.444 -2.174 7.307 208 HE22 GLN 33 2HE2 GLN 33 13.451 -0.608 8.036 209 H ILE 34 H ILE 34 8.980 -2.520 3.977 210 HA ILE 34 HA ILE 34 6.513 -1.436 3.856 211 HB ILE 34 HB ILE 34 8.030 -2.757 1.610 212 HG12 ILE 34 1HG1 ILE 34 7.647 0.170 2.263 213 HG13 ILE 34 2HG1 ILE 34 9.033 -0.775 2.796 214 HG21 ILE 34 1HG2 ILE 34 6.589 -1.612 0.049 215 HG22 ILE 34 2HG2 ILE 34 5.617 -2.644 1.096 216 HG23 ILE 34 3HG2 ILE 34 5.665 -0.903 1.373 217 HD11 ILE 34 3HD1 ILE 34 8.299 0.127 0.052 218 HD12 ILE 34 1HD1 ILE 34 9.834 0.265 0.909 219 HD13 ILE 34 2HD1 ILE 34 9.315 -1.297 0.273 220 H LYS 35 H LYS 35 7.275 -4.820 3.565 221 HA LYS 35 HA LYS 35 4.631 -5.542 2.635 222 HB2 LYS 35 1HB LYS 35 6.956 -6.734 2.221 223 HB3 LYS 35 2HB LYS 35 6.555 -7.549 3.727 224 HG2 LYS 35 1HG LYS 35 4.256 -7.943 2.485 225 HG3 LYS 35 2HG LYS 35 5.278 -7.750 1.058 226 HD2 LYS 35 1HD LYS 35 5.437 -10.018 1.406 227 HD3 LYS 35 2HD LYS 35 6.831 -9.442 2.322 228 HE2 LYS 35 1HE LYS 35 5.640 -9.620 4.383 229 HE3 LYS 35 2HE LYS 35 4.121 -9.929 3.544 230 HZ1 LYS 35 3HZ LYS 35 4.723 -12.068 3.049 231 HZ2 LYS 35 1HZ LYS 35 5.480 -11.882 4.551 232 HZ3 LYS 35 2HZ LYS 35 6.384 -11.755 3.127 233 H ALA 36 H ALA 36 6.523 -6.587 5.475 234 HA ALA 36 HA ALA 36 4.557 -7.706 6.979 235 HB1 ALA 36 3HB ALA 36 6.440 -7.936 8.164 236 HB2 ALA 36 1HB ALA 36 7.117 -6.423 7.558 237 HB3 ALA 36 2HB ALA 36 5.987 -6.405 8.913 238 H ALA 37 H ALA 37 5.273 -4.252 6.705 239 HA ALA 37 HA ALA 37 3.499 -3.324 8.665 240 HB1 ALA 37 3HB ALA 37 5.287 -2.172 6.911 241 HB2 ALA 37 1HB ALA 37 3.727 -1.540 6.382 242 HB3 ALA 37 2HB ALA 37 4.250 -1.316 8.052 243 H TYR 38 H TYR 38 3.028 -3.603 5.141 244 HA TYR 38 HA TYR 38 0.414 -2.718 4.995 245 HB2 TYR 38 1HB TYR 38 1.524 -3.060 2.949 246 HB3 TYR 38 2HB TYR 38 1.957 -4.717 3.357 247 HD1 TYR 38 1HD TYR 38 -1.023 -2.573 2.694 248 HD2 TYR 38 2HD TYR 38 0.680 -6.468 2.523 249 HE1 TYR 38 1HE TYR 38 -3.008 -3.382 1.486 250 HE2 TYR 38 2HE TYR 38 -1.299 -7.287 1.315 251 HH TYR 38 HH TYR 38 -4.154 -5.342 0.933 252 H TYR 39 H TYR 39 1.647 -5.688 6.255 253 HA TYR 39 HA TYR 39 -0.843 -7.120 6.122 254 HB2 TYR 39 1HB TYR 39 1.865 -7.638 7.267 255 HB3 TYR 39 2HB TYR 39 0.509 -8.584 7.871 256 HD1 TYR 39 2HD TYR 39 1.754 -7.429 4.533 257 HD2 TYR 39 1HD TYR 39 0.263 -10.646 6.886 258 HE1 TYR 39 2HE TYR 39 1.945 -8.929 2.593 259 HE2 TYR 39 1HE TYR 39 0.452 -12.155 4.953 260 HH TYR 39 HH TYR 39 2.241 -11.688 2.423 261 H ARG 40 H ARG 40 1.120 -6.240 8.965 262 HA ARG 40 HA ARG 40 -0.640 -6.588 10.964 263 HB2 ARG 40 1HB ARG 40 0.441 -4.722 12.169 264 HB3 ARG 40 2HB ARG 40 1.607 -5.764 11.365 265 HG2 ARG 40 1HG ARG 40 1.888 -4.156 9.591 266 HG3 ARG 40 2HG ARG 40 0.622 -3.136 10.277 267 HD2 ARG 40 1HD ARG 40 2.663 -2.167 10.951 268 HD3 ARG 40 2HD ARG 40 2.043 -3.013 12.368 269 HE ARG 40 HE ARG 40 4.414 -3.663 10.845 270 HH11 ARG 40 1HH1 ARG 40 2.056 -4.741 13.168 271 HH12 ARG 40 2HH1 ARG 40 3.081 -5.970 13.833 272 HH21 ARG 40 1HH2 ARG 40 5.773 -5.278 11.711 273 HH22 ARG 40 2HH2 ARG 40 5.195 -6.274 13.004 274 H GLN 41 H GLN 41 -0.846 -4.152 8.502 275 HA GLN 41 HA GLN 41 -2.683 -2.425 9.788 276 HB2 GLN 41 1HB GLN 41 -1.922 -2.890 6.919 277 HB3 GLN 41 2HB GLN 41 -3.224 -1.785 7.340 278 HG2 GLN 41 1HG GLN 41 -0.304 -1.571 7.947 279 HG3 GLN 41 2HG GLN 41 -1.361 -0.416 7.136 280 HE21 GLN 41 1HE2 GLN 41 0.433 -0.444 9.630 281 HE22 GLN 41 2HE2 GLN 41 -0.554 0.300 10.836 282 H CYS 42 H CYS 42 -3.302 -4.670 7.084 283 HA CYS 42 HA CYS 42 -6.002 -4.630 6.993 284 HB2 CYS 42 1HB CYS 42 -4.356 -6.058 5.633 285 HB3 CYS 42 2HB CYS 42 -4.537 -7.260 6.905 286 HG CYS 42 HG CYS 42 -7.115 -7.882 6.432 287 H PHE 43 H PHE 43 -4.042 -6.108 9.473 288 HA PHE 43 HA PHE 43 -6.059 -7.675 10.684 289 HB2 PHE 43 1HB PHE 43 -3.679 -8.045 11.129 290 HB3 PHE 43 2HB PHE 43 -3.566 -6.465 11.898 291 HD1 PHE 43 1HD PHE 43 -4.617 -6.065 14.074 292 HD2 PHE 43 2HD PHE 43 -4.613 -9.920 12.270 293 HE1 PHE 43 1HE PHE 43 -5.208 -7.075 16.238 294 HE2 PHE 43 2HE PHE 43 -5.205 -10.936 14.431 295 HZ PHE 43 HZ PHE 43 -5.504 -9.513 16.419 296 H LEU 44 H LEU 44 -4.869 -4.398 11.342 297 HA LEU 44 HA LEU 44 -6.444 -3.849 13.580 298 HB2 LEU 44 1HB LEU 44 -5.271 -2.091 11.448 299 HB3 LEU 44 2HB LEU 44 -6.199 -1.429 12.791 300 HG LEU 44 HG LEU 44 -3.843 -3.184 13.345 301 HD11 LEU 44 1HD1 LEU 44 -3.495 -0.232 13.079 302 HD12 LEU 44 2HD1 LEU 44 -3.342 -1.264 11.658 303 HD13 LEU 44 3HD1 LEU 44 -2.286 -1.515 13.048 304 HD21 LEU 44 3HD2 LEU 44 -5.280 -0.952 14.760 305 HD22 LEU 44 1HD2 LEU 44 -3.716 -1.571 15.292 306 HD23 LEU 44 2HD2 LEU 44 -5.119 -2.639 15.254 307 H TYR 45 H TYR 45 -7.233 -3.893 10.193 308 HA TYR 45 HA TYR 45 -10.001 -3.162 10.877 309 HB2 TYR 45 1HB TYR 45 -8.460 -2.345 8.407 310 HB3 TYR 45 2HB TYR 45 -10.187 -2.095 8.635 311 HD1 TYR 45 2HD TYR 45 -6.900 -1.299 10.208 312 HD2 TYR 45 1HD TYR 45 -10.940 -0.116 9.591 313 HE1 TYR 45 2HE TYR 45 -6.436 0.844 11.321 314 HE2 TYR 45 1HE TYR 45 -10.487 2.032 10.701 315 HH TYR 45 HH TYR 45 -7.670 2.612 12.500 316 H HIS 46 H HIS 46 -10.686 -5.288 10.964 317 HA HIS 46 HA HIS 46 -10.355 -6.910 8.540 318 HB2 HIS 46 1HB HIS 46 -10.799 -7.534 11.413 319 HB3 HIS 46 2HB HIS 46 -11.511 -8.631 10.233 320 HD2 HIS 46 2HD HIS 46 -8.477 -8.646 12.207 321 HE1 HIS 46 1HE HIS 46 -7.159 -10.071 8.435 322 HE2 HIS 46 2HE HIS 46 -6.647 -9.919 10.896 323 HA PRO 47 HA PRO 47 -14.543 -6.462 7.310 324 HB2 PRO 47 1HB PRO 47 -15.082 -8.925 6.303 325 HB3 PRO 47 2HB PRO 47 -14.029 -7.763 5.487 326 HG2 PRO 47 1HG PRO 47 -13.295 -10.105 7.200 327 HG3 PRO 47 2HG PRO 47 -12.574 -9.567 5.673 328 HD2 PRO 47 1HD PRO 47 -11.451 -9.040 8.079 329 HD3 PRO 47 2HD PRO 47 -11.313 -7.933 6.698 330 H ASP 48 H ASP 48 -13.838 -9.379 9.199 331 HA ASP 48 HA ASP 48 -16.461 -10.037 9.910 332 HB2 ASP 48 1HB ASP 48 -14.613 -11.578 10.273 333 HB3 ASP 48 2HB ASP 48 -13.888 -10.475 11.440 334 H ARG 49 H ARG 49 -14.088 -7.978 11.566 335 HA ARG 49 HA ARG 49 -15.809 -7.336 13.740 336 HB2 ARG 49 1HB ARG 49 -13.307 -6.001 12.698 337 HB3 ARG 49 2HB ARG 49 -14.132 -5.519 14.174 338 HG2 ARG 49 1HG ARG 49 -13.461 -7.374 15.324 339 HG3 ARG 49 2HG ARG 49 -13.341 -8.366 13.869 340 HD2 ARG 49 1HD ARG 49 -11.380 -6.855 13.225 341 HD3 ARG 49 2HD ARG 49 -11.416 -6.304 14.899 342 HE ARG 49 HE ARG 49 -11.296 -9.170 14.571 343 HH11 ARG 49 1HH1 ARG 49 -9.491 -6.214 14.920 344 HH12 ARG 49 2HH1 ARG 49 -8.066 -7.001 15.514 345 HH21 ARG 49 1HH2 ARG 49 -9.426 -10.218 15.352 346 HH22 ARG 49 2HH2 ARG 49 -8.030 -9.279 15.758 347 H ASN 50 H ASN 50 -14.972 -5.717 10.706 348 HA ASN 50 HA ASN 50 -17.196 -3.844 11.186 349 HB2 ASN 50 1HB ASN 50 -14.895 -3.217 9.357 350 HB3 ASN 50 2HB ASN 50 -16.018 -2.108 10.139 351 HD21 ASN 50 1HD2 ASN 50 -13.304 -4.265 10.670 352 HD22 ASN 50 2HD2 ASN 50 -12.741 -3.504 12.115 353 H SER 51 H SER 51 -18.798 -4.937 10.123 354 HA SER 51 HA SER 51 -18.636 -6.396 7.792 355 HB2 SER 51 1HB SER 51 -21.068 -5.847 7.490 356 HB3 SER 51 2HB SER 51 -20.657 -6.418 9.107 357 HG SER 51 HG SER 51 -21.527 -3.929 8.268 358 H GLY 52 H GLY 52 -19.672 -2.984 8.018 359 HA2 GLY 52 1HA GLY 52 -18.267 -2.386 5.546 360 HA3 GLY 52 2HA GLY 52 -20.018 -2.268 5.460 361 H SER 53 H SER 53 -17.530 -1.295 7.825 362 HA SER 53 HA SER 53 -18.912 0.999 8.680 363 HB2 SER 53 1HB SER 53 -16.141 -0.050 8.989 364 HB3 SER 53 2HB SER 53 -16.414 1.653 9.359 365 HG SER 53 HG SER 53 -18.203 -0.214 10.410 366 H ALA 54 H ALA 54 -18.961 3.059 7.979 367 HA ALA 54 HA ALA 54 -18.259 3.684 5.335 368 HB1 ALA 54 3HB ALA 54 -18.936 5.938 5.843 369 HB2 ALA 54 1HB ALA 54 -20.042 4.812 6.631 370 HB3 ALA 54 2HB ALA 54 -18.795 5.630 7.574 371 H GLU 55 H GLU 55 -16.778 4.768 8.394 372 HA GLU 55 HA GLU 55 -14.681 6.220 7.223 373 HB2 GLU 55 1HB GLU 55 -15.081 4.968 9.922 374 HB3 GLU 55 2HB GLU 55 -13.545 5.717 9.508 375 HG2 GLU 55 1HG GLU 55 -16.180 7.144 9.299 376 HG3 GLU 55 2HG GLU 55 -15.175 7.167 10.747 377 H ALA 56 H ALA 56 -14.831 2.862 8.359 378 HA ALA 56 HA ALA 56 -12.168 2.162 7.912 379 HB1 ALA 56 3HB ALA 56 -14.588 0.383 7.643 380 HB2 ALA 56 1HB ALA 56 -12.924 -0.140 7.908 381 HB3 ALA 56 2HB ALA 56 -13.771 0.774 9.156 382 H ALA 57 H ALA 57 -14.930 2.188 5.712 383 HA ALA 57 HA ALA 57 -13.893 0.836 3.545 384 HB1 ALA 57 3HB ALA 57 -15.990 2.817 3.973 385 HB2 ALA 57 1HB ALA 57 -15.298 2.866 2.352 386 HB3 ALA 57 2HB ALA 57 -15.987 1.365 2.972 387 H GLU 58 H GLU 58 -13.911 4.397 3.807 388 HA GLU 58 HA GLU 58 -12.279 5.024 1.723 389 HB2 GLU 58 1HB GLU 58 -12.524 6.301 4.437 390 HB3 GLU 58 2HB GLU 58 -11.498 6.985 3.185 391 HG2 GLU 58 1HG GLU 58 -14.442 6.460 2.863 392 HG3 GLU 58 2HG GLU 58 -13.749 8.011 3.331 393 H ARG 59 H ARG 59 -11.042 4.757 5.060 394 HA ARG 59 HA ARG 59 -8.360 4.852 4.551 395 HB2 ARG 59 1HB ARG 59 -9.320 4.778 6.810 396 HB3 ARG 59 2HB ARG 59 -9.733 3.084 6.583 397 HG2 ARG 59 1HG ARG 59 -7.754 3.198 7.903 398 HG3 ARG 59 2HG ARG 59 -7.310 2.596 6.304 399 HD2 ARG 59 1HD ARG 59 -6.606 4.879 5.679 400 HD3 ARG 59 2HD ARG 59 -6.981 5.419 7.315 401 HE ARG 59 HE ARG 59 -4.675 3.914 6.465 402 HH11 ARG 59 1HH1 ARG 59 -6.714 4.801 9.144 403 HH12 ARG 59 2HH1 ARG 59 -5.496 4.499 10.339 404 HH21 ARG 59 1HH2 ARG 59 -3.064 3.514 8.029 405 HH22 ARG 59 2HH2 ARG 59 -3.420 3.769 9.704 406 H PHE 60 H PHE 60 -10.084 1.764 5.032 407 HA PHE 60 HA PHE 60 -8.233 -0.039 4.331 408 HB2 PHE 60 1HB PHE 60 -10.804 -0.307 4.780 409 HB3 PHE 60 2HB PHE 60 -10.914 -0.323 3.023 410 HD1 PHE 60 1HD PHE 60 -8.679 -1.857 5.594 411 HD2 PHE 60 2HD PHE 60 -11.078 -2.416 2.123 412 HE1 PHE 60 1HE PHE 60 -8.102 -4.249 5.585 413 HE2 PHE 60 2HE PHE 60 -10.506 -4.809 2.109 414 HZ PHE 60 HZ PHE 60 -9.017 -5.729 3.842 415 H THR 61 H THR 61 -10.250 1.681 1.955 416 HA THR 61 HA THR 61 -9.144 0.581 -0.353 417 HB THR 61 HB THR 61 -10.261 3.368 0.018 418 HG1 THR 61 1HG THR 61 -11.972 2.128 0.378 419 HG21 THR 61 3HG2 THR 61 -10.068 3.720 -2.191 420 HG22 THR 61 1HG2 THR 61 -10.551 2.072 -2.587 421 HG23 THR 61 2HG2 THR 61 -8.877 2.421 -2.157 422 H ARG 62 H ARG 62 -8.106 3.351 1.577 423 HA ARG 62 HA ARG 62 -6.082 4.230 -0.201 424 HB2 ARG 62 1HB ARG 62 -6.555 4.665 2.744 425 HB3 ARG 62 2HB ARG 62 -5.184 5.372 1.900 426 HG2 ARG 62 1HG ARG 62 -6.616 6.654 0.490 427 HG3 ARG 62 2HG ARG 62 -8.046 5.808 1.086 428 HD2 ARG 62 1HD ARG 62 -7.232 6.701 3.408 429 HD3 ARG 62 2HD ARG 62 -6.364 7.879 2.424 430 HE ARG 62 HE ARG 62 -9.197 7.758 2.889 431 HH11 ARG 62 1HH1 ARG 62 -6.696 8.852 0.729 432 HH12 ARG 62 2HH1 ARG 62 -7.663 10.112 0.037 433 HH21 ARG 62 1HH2 ARG 62 -10.481 9.414 1.986 434 HH22 ARG 62 2HH2 ARG 62 -9.815 10.431 0.754 435 H ILE 63 H ILE 63 -6.000 2.183 2.703 436 HA ILE 63 HA ILE 63 -3.311 1.750 2.970 437 HB ILE 63 HB ILE 63 -5.504 -0.301 3.288 438 HG12 ILE 63 1HG1 ILE 63 -4.172 1.501 5.322 439 HG13 ILE 63 2HG1 ILE 63 -5.778 1.752 4.647 440 HG21 ILE 63 1HG2 ILE 63 -2.787 -0.335 4.578 441 HG22 ILE 63 2HG2 ILE 63 -4.009 -1.606 4.579 442 HG23 ILE 63 3HG2 ILE 63 -3.156 -1.203 3.088 443 HD11 ILE 63 3HD1 ILE 63 -6.385 -0.508 5.585 444 HD12 ILE 63 1HD1 ILE 63 -4.855 -0.452 6.461 445 HD13 ILE 63 2HD1 ILE 63 -6.089 0.772 6.761 446 H SER 64 H SER 64 -5.528 -0.163 0.938 447 HA SER 64 HA SER 64 -3.744 -1.954 -0.139 448 HB2 SER 64 1HB SER 64 -5.299 -2.305 -1.898 449 HB3 SER 64 2HB SER 64 -6.268 -1.807 -0.511 450 HG SER 64 HG SER 64 -6.004 -0.623 -2.921 451 H GLN 65 H GLN 65 -4.520 1.291 -1.366 452 HA GLN 65 HA GLN 65 -2.971 1.340 -3.635 453 HB2 GLN 65 1HB GLN 65 -3.283 3.635 -1.694 454 HB3 GLN 65 2HB GLN 65 -2.899 3.755 -3.406 455 HG2 GLN 65 1HG GLN 65 -5.150 2.548 -3.761 456 HG3 GLN 65 2HG GLN 65 -5.489 3.037 -2.102 457 HE21 GLN 65 1HE2 GLN 65 -6.906 4.635 -2.262 458 HE22 GLN 65 2HE2 GLN 65 -6.722 6.049 -3.238 459 H ALA 66 H ALA 66 -1.947 2.193 -0.335 460 HA ALA 66 HA ALA 66 0.676 2.896 -0.852 461 HB1 ALA 66 3HB ALA 66 -0.255 3.249 1.320 462 HB2 ALA 66 1HB ALA 66 -0.499 1.518 1.555 463 HB3 ALA 66 2HB ALA 66 1.136 2.178 1.496 464 H TYR 67 H TYR 67 -0.785 -0.266 -0.757 465 HA TYR 67 HA TYR 67 1.790 -1.617 -0.804 466 HB2 TYR 67 1HB TYR 67 -0.350 -2.434 0.409 467 HB3 TYR 67 2HB TYR 67 -0.871 -2.965 -1.186 468 HD1 TYR 67 1HD TYR 67 2.418 -3.083 0.593 469 HD2 TYR 67 2HD TYR 67 -0.679 -5.256 -1.354 470 HE1 TYR 67 1HE TYR 67 3.709 -5.158 0.869 471 HE2 TYR 67 2HE TYR 67 0.603 -7.338 -1.082 472 HH TYR 67 HH TYR 67 2.469 -8.140 0.630 473 H VAL 68 H VAL 68 0.775 0.164 -3.013 474 HA VAL 68 HA VAL 68 1.014 -1.795 -5.203 475 HB VAL 68 HB VAL 68 -0.548 0.789 -5.183 476 HG11 VAL 68 1HG1 VAL 68 -0.956 -0.809 -7.526 477 HG12 VAL 68 2HG1 VAL 68 -0.422 0.868 -7.399 478 HG13 VAL 68 3HG1 VAL 68 0.759 -0.441 -7.346 479 HG21 VAL 68 3HG2 VAL 68 -1.622 -1.940 -5.796 480 HG22 VAL 68 1HG2 VAL 68 -1.479 -1.375 -4.131 481 HG23 VAL 68 2HG2 VAL 68 -2.488 -0.494 -5.278 482 H VAL 69 H VAL 69 1.305 1.734 -4.753 483 HA VAL 69 HA VAL 69 3.209 2.140 -6.752 484 HB VAL 69 HB VAL 69 2.827 3.757 -4.227 485 HG11 VAL 69 1HG1 VAL 69 3.887 5.567 -5.381 486 HG12 VAL 69 2HG1 VAL 69 4.956 4.165 -5.462 487 HG13 VAL 69 3HG1 VAL 69 3.993 4.623 -6.867 488 HG21 VAL 69 3HG2 VAL 69 1.285 3.519 -6.723 489 HG22 VAL 69 1HG2 VAL 69 0.781 4.056 -5.120 490 HG23 VAL 69 2HG2 VAL 69 1.625 5.169 -6.198 491 H LEU 70 H LEU 70 3.560 1.047 -3.465 492 HA LEU 70 HA LEU 70 6.486 1.185 -3.698 493 HB2 LEU 70 1HB LEU 70 5.020 0.442 -1.198 494 HB3 LEU 70 2HB LEU 70 6.629 1.140 -1.376 495 HG LEU 70 HG LEU 70 4.252 2.758 -2.173 496 HD11 LEU 70 1HD1 LEU 70 3.394 2.876 -0.135 497 HD12 LEU 70 2HD1 LEU 70 4.961 3.343 0.522 498 HD13 LEU 70 3HD1 LEU 70 4.529 1.638 0.404 499 HD21 LEU 70 3HD2 LEU 70 6.491 3.594 -2.636 500 HD22 LEU 70 1HD2 LEU 70 6.923 3.415 -0.935 501 HD23 LEU 70 2HD2 LEU 70 5.694 4.586 -1.414 502 H GLY 71 H GLY 71 3.785 -0.993 -3.413 503 HA2 GLY 71 1HA GLY 71 4.796 -3.337 -2.515 504 HA3 GLY 71 2HA GLY 71 3.702 -3.255 -3.888 505 H SER 72 H SER 72 5.670 -1.761 -5.508 506 HA SER 72 HA SER 72 7.535 -3.975 -6.064 507 HB2 SER 72 1HB SER 72 5.979 -2.222 -7.962 508 HB3 SER 72 2HB SER 72 7.399 -3.131 -8.480 509 HG SER 72 HG SER 72 6.270 -4.907 -8.435 510 H ALA 73 H ALA 73 9.645 -3.494 -6.336 511 HA ALA 73 HA ALA 73 10.746 -1.163 -5.336 512 HB1 ALA 73 3HB ALA 73 12.541 -2.222 -7.273 513 HB2 ALA 73 1HB ALA 73 12.587 -2.384 -5.517 514 HB3 ALA 73 2HB ALA 73 11.705 -3.563 -6.490 515 H THR 74 H THR 74 10.661 -2.077 -8.788 516 HA THR 74 HA THR 74 11.632 0.062 -10.039 517 HB THR 74 HB THR 74 9.018 -1.267 -10.777 518 HG1 THR 74 1HG THR 74 11.720 -1.762 -11.541 519 HG21 THR 74 3HG2 THR 74 10.597 0.855 -12.065 520 HG22 THR 74 1HG2 THR 74 8.899 0.423 -12.267 521 HG23 THR 74 2HG2 THR 74 10.147 -0.485 -13.120 522 H LEU 75 H LEU 75 8.104 0.002 -9.575 523 HA LEU 75 HA LEU 75 7.427 2.535 -10.081 524 HB2 LEU 75 1HB LEU 75 6.432 1.252 -7.556 525 HB3 LEU 75 2HB LEU 75 5.568 2.329 -8.651 526 HG LEU 75 HG LEU 75 6.254 -0.572 -9.070 527 HD11 LEU 75 1HD1 LEU 75 4.044 -1.002 -8.804 528 HD12 LEU 75 2HD1 LEU 75 3.546 0.564 -9.444 529 HD13 LEU 75 3HD1 LEU 75 4.149 0.438 -7.791 530 HD21 LEU 75 3HD2 LEU 75 5.562 -0.450 -11.295 531 HD22 LEU 75 1HD2 LEU 75 6.609 0.956 -11.101 532 HD23 LEU 75 2HD2 LEU 75 4.856 1.153 -11.086 533 H ARG 76 H ARG 76 8.436 1.529 -6.807 534 HA ARG 76 HA ARG 76 8.465 3.891 -5.493 535 HB2 ARG 76 1HB ARG 76 9.335 1.485 -4.827 536 HB3 ARG 76 2HB ARG 76 10.901 2.187 -5.210 537 HG2 ARG 76 1HG ARG 76 10.049 4.113 -3.631 538 HG3 ARG 76 2HG ARG 76 9.024 2.823 -2.999 539 HD2 ARG 76 1HD ARG 76 12.032 2.763 -3.221 540 HD3 ARG 76 2HD ARG 76 11.105 2.989 -1.739 541 HE ARG 76 HE ARG 76 10.172 0.638 -2.626 542 HH11 ARG 76 1HH1 ARG 76 13.409 1.852 -2.221 543 HH12 ARG 76 2HH1 ARG 76 14.093 0.294 -1.896 544 HH21 ARG 76 1HH2 ARG 76 11.060 -1.419 -2.200 545 HH22 ARG 76 2HH2 ARG 76 12.756 -1.566 -1.886 546 H ARG 77 H ARG 77 11.164 2.692 -7.489 547 HA ARG 77 HA ARG 77 12.785 4.968 -7.215 548 HB2 ARG 77 1HB ARG 77 12.650 2.703 -9.162 549 HB3 ARG 77 2HB ARG 77 13.679 4.082 -9.530 550 HG2 ARG 77 1HG ARG 77 15.077 2.525 -8.480 551 HG3 ARG 77 2HG ARG 77 14.717 3.730 -7.242 552 HD2 ARG 77 1HD ARG 77 13.103 2.292 -6.217 553 HD3 ARG 77 2HD ARG 77 13.212 1.139 -7.547 554 HE ARG 77 HE ARG 77 15.753 1.301 -6.540 555 HH11 ARG 77 1HH1 ARG 77 12.613 0.513 -5.259 556 HH12 ARG 77 2HH1 ARG 77 13.231 -0.575 -4.061 557 HH21 ARG 77 1HH2 ARG 77 16.578 -0.129 -4.967 558 HH22 ARG 77 2HH2 ARG 77 15.487 -0.939 -3.895 559 H LYS 78 H LYS 78 10.169 4.204 -9.420 560 HA LYS 78 HA LYS 78 10.599 6.269 -11.286 561 HB2 LYS 78 1HB LYS 78 7.979 4.990 -10.481 562 HB3 LYS 78 2HB LYS 78 8.276 5.901 -11.957 563 HG2 LYS 78 1HG LYS 78 9.945 4.192 -12.617 564 HG3 LYS 78 2HG LYS 78 9.493 3.256 -11.190 565 HD2 LYS 78 1HD LYS 78 8.144 2.278 -12.764 566 HD3 LYS 78 2HD LYS 78 7.069 3.550 -12.179 567 HE2 LYS 78 1HE LYS 78 7.415 4.875 -14.065 568 HE3 LYS 78 2HE LYS 78 8.898 4.028 -14.504 569 HZ1 LYS 78 3HZ LYS 78 7.576 2.976 -15.950 570 HZ2 LYS 78 1HZ LYS 78 6.154 3.384 -15.129 571 HZ3 LYS 78 2HZ LYS 78 7.074 2.061 -14.618 572 H TYR 79 H TYR 79 8.080 6.133 -8.760 573 HA TYR 79 HA TYR 79 7.208 8.726 -8.889 574 HB2 TYR 79 1HB TYR 79 6.268 6.881 -7.454 575 HB3 TYR 79 2HB TYR 79 7.556 7.206 -6.300 576 HD1 TYR 79 1HD TYR 79 4.688 8.822 -8.036 577 HD2 TYR 79 2HD TYR 79 7.281 8.849 -4.663 578 HE1 TYR 79 1HE TYR 79 3.304 10.568 -6.993 579 HE2 TYR 79 2HE TYR 79 5.903 10.594 -3.610 580 HH TYR 79 HH TYR 79 4.237 12.066 -3.931 581 H ASP 80 H ASP 80 10.028 7.481 -7.173 582 HA ASP 80 HA ASP 80 10.777 9.602 -5.627 583 HB2 ASP 80 1HB ASP 80 11.986 7.411 -5.847 584 HB3 ASP 80 2HB ASP 80 12.703 8.019 -7.337 585 H ARG 81 H ARG 81 11.745 9.140 -9.031 586 HA ARG 81 HA ARG 81 12.755 11.839 -9.190 587 HB2 ARG 81 1HB ARG 81 12.335 10.160 -11.620 588 HB3 ARG 81 2HB ARG 81 13.662 11.243 -11.223 589 HG2 ARG 81 1HG ARG 81 13.174 8.493 -10.102 590 HG3 ARG 81 2HG ARG 81 14.456 8.982 -11.212 591 HD2 ARG 81 1HD ARG 81 14.103 10.065 -8.421 592 HD3 ARG 81 2HD ARG 81 15.199 8.752 -8.850 593 HE ARG 81 HE ARG 81 15.637 11.115 -10.404 594 HH11 ARG 81 1HH1 ARG 81 16.319 9.557 -7.367 595 HH12 ARG 81 2HH1 ARG 81 17.792 10.431 -7.101 596 HH21 ARG 81 1HH2 ARG 81 17.573 12.272 -10.066 597 HH22 ARG 81 2HH2 ARG 81 18.504 11.975 -8.636 598 H GLY 82 H GLY 82 9.750 10.315 -9.616 599 HA2 GLY 82 1HA GLY 82 7.740 11.533 -9.915 600 HA3 GLY 82 2HA GLY 82 8.654 12.794 -10.729 601 H LEU 83 H LEU 83 9.225 9.498 -11.603 602 HA LEU 83 HA LEU 83 8.313 10.028 -14.289 603 HB2 LEU 83 1HB LEU 83 9.383 7.460 -13.134 604 HB3 LEU 83 2HB LEU 83 9.247 7.879 -14.841 605 HG LEU 83 HG LEU 83 10.952 9.583 -13.091 606 HD11 LEU 83 1HD1 LEU 83 11.368 6.737 -13.545 607 HD12 LEU 83 2HD1 LEU 83 12.172 7.839 -12.427 608 HD13 LEU 83 3HD1 LEU 83 12.712 7.734 -14.102 609 HD21 LEU 83 3HD2 LEU 83 10.768 10.354 -15.297 610 HD22 LEU 83 1HD2 LEU 83 10.906 8.730 -15.970 611 HD23 LEU 83 2HD2 LEU 83 12.315 9.508 -15.249 612 H LEU 84 H LEU 84 7.046 8.580 -11.456 613 HA LEU 84 HA LEU 84 5.239 6.747 -12.635 614 HB2 LEU 84 1HB LEU 84 5.974 6.843 -10.221 615 HB3 LEU 84 2HB LEU 84 4.860 8.194 -10.024 616 HG LEU 84 HG LEU 84 3.110 6.465 -10.958 617 HD11 LEU 84 1HD1 LEU 84 5.466 4.857 -10.574 618 HD12 LEU 84 2HD1 LEU 84 3.910 4.421 -11.280 619 HD13 LEU 84 3HD1 LEU 84 4.152 4.302 -9.537 620 HD21 LEU 84 3HD2 LEU 84 2.882 5.639 -8.512 621 HD22 LEU 84 1HD2 LEU 84 2.690 7.357 -8.865 622 HD23 LEU 84 2HD2 LEU 84 4.207 6.759 -8.190 623 H SER 85 H SER 85 3.436 7.104 -13.737 624 HA SER 85 HA SER 85 2.102 9.716 -13.437 625 HB2 SER 85 1HB SER 85 3.314 9.280 -15.649 626 HB3 SER 85 2HB SER 85 2.066 8.075 -15.969 627 HG SER 85 HG SER 85 0.524 9.688 -15.898 628 H ASP 86 H ASP 86 -0.201 9.732 -13.792 629 HA ASP 86 HA ASP 86 -1.707 8.078 -12.322 630 HB2 ASP 86 1HB ASP 86 -2.513 9.292 -14.972 631 HB3 ASP 86 2HB ASP 86 -3.644 8.618 -13.802 632 H GLU 87 H GLU 87 -0.959 7.515 -15.751 633 HA GLU 87 HA GLU 87 -2.386 5.300 -16.340 634 HB2 GLU 87 1HB GLU 87 -0.828 6.308 -17.917 635 HB3 GLU 87 2HB GLU 87 0.538 5.744 -16.964 636 HG2 GLU 87 1HG GLU 87 0.210 3.525 -17.579 637 HG3 GLU 87 2HG GLU 87 -1.448 3.816 -18.099 638 H ASP 88 H ASP 88 0.740 5.255 -14.635 639 HA ASP 88 HA ASP 88 0.895 2.501 -14.221 640 HB2 ASP 88 1HB ASP 88 1.923 4.652 -12.360 641 HB3 ASP 88 2HB ASP 88 2.512 2.997 -12.485 642 H LEU 89 H LEU 89 -0.447 5.024 -12.103 643 HA LEU 89 HA LEU 89 -1.167 3.501 -9.931 644 HB2 LEU 89 1HB LEU 89 -2.551 5.848 -11.204 645 HB3 LEU 89 2HB LEU 89 -3.078 5.145 -9.676 646 HG LEU 89 HG LEU 89 -0.282 6.176 -10.055 647 HD11 LEU 89 1HD1 LEU 89 -1.664 8.082 -8.604 648 HD12 LEU 89 2HD1 LEU 89 -2.741 7.703 -9.948 649 HD13 LEU 89 3HD1 LEU 89 -1.090 8.237 -10.264 650 HD21 LEU 89 3HD2 LEU 89 -1.042 4.663 -8.116 651 HD22 LEU 89 1HD2 LEU 89 -1.907 6.087 -7.538 652 HD23 LEU 89 2HD2 LEU 89 -0.155 6.139 -7.731 653 H ARG 90 H ARG 90 -3.262 4.245 -12.723 654 HA ARG 90 HA ARG 90 -5.315 2.455 -11.931 655 HB2 ARG 90 1HB ARG 90 -6.326 2.921 -14.051 656 HB3 ARG 90 2HB ARG 90 -5.612 4.416 -13.461 657 HG2 ARG 90 1HG ARG 90 -4.011 4.460 -15.085 658 HG3 ARG 90 2HG ARG 90 -3.987 2.704 -15.262 659 HD2 ARG 90 1HD ARG 90 -5.014 3.384 -17.220 660 HD3 ARG 90 2HD ARG 90 -6.390 3.015 -16.181 661 HE ARG 90 HE ARG 90 -6.927 5.257 -16.125 662 HH11 ARG 90 1HH1 ARG 90 -3.812 4.808 -17.612 663 HH12 ARG 90 2HH1 ARG 90 -3.710 6.436 -18.195 664 HH21 ARG 90 1HH2 ARG 90 -6.805 7.403 -16.887 665 HH22 ARG 90 2HH2 ARG 90 -5.413 7.912 -17.781 666 H GLY 91 H GLY 91 -2.370 2.082 -13.729 667 HA2 GLY 91 1HA GLY 91 -1.740 -0.417 -13.590 668 HA3 GLY 91 2HA GLY 91 -3.180 -0.617 -14.578 669 HA PRO 92 HA PRO 92 0.777 0.604 -17.042 670 HB2 PRO 92 1HB PRO 92 1.860 -1.833 -17.546 671 HB3 PRO 92 2HB PRO 92 2.326 -0.844 -16.158 672 HG2 PRO 92 1HG PRO 92 0.430 -3.157 -16.284 673 HG3 PRO 92 2HG PRO 92 1.666 -2.788 -15.066 674 HD2 PRO 92 1HD PRO 92 -0.962 -2.260 -14.682 675 HD3 PRO 92 2HD PRO 92 0.325 -1.253 -13.989 676 H GLY 93 H GLY 93 -1.102 -2.410 -17.380 677 HA2 GLY 93 1HA GLY 93 -2.767 -2.022 -19.353 678 HA3 GLY 93 2HA GLY 93 -1.271 -1.942 -20.272 679 H SER 94 H SER 94 -2.932 -4.046 -17.926 680 HA SER 94 HA SER 94 -1.806 -6.362 -19.354 681 HB2 SER 94 1HB SER 94 -2.666 -6.006 -16.484 682 HB3 SER 94 2HB SER 94 -2.418 -7.600 -17.197 683 HG SER 94 HG SER 94 -0.275 -6.513 -17.849 684 H GLY 95 H GLY 95 -3.250 -8.357 -19.203 685 HA2 GLY 95 1HA GLY 95 -5.849 -7.615 -20.258 686 HA3 GLY 95 2HA GLY 95 -5.150 -9.227 -20.238 687 HA PRO 96 HA PRO 96 -8.537 -9.168 -17.106 688 HB2 PRO 96 1HB PRO 96 -9.488 -11.625 -17.764 689 HB3 PRO 96 2HB PRO 96 -9.986 -10.147 -18.597 690 HG2 PRO 96 1HG PRO 96 -7.962 -12.195 -19.418 691 HG3 PRO 96 2HG PRO 96 -9.195 -11.384 -20.401 692 HD2 PRO 96 1HD PRO 96 -6.596 -10.626 -20.408 693 HD3 PRO 96 2HD PRO 96 -7.926 -9.474 -20.642 694 H SER 97 H SER 97 -9.011 -10.866 -15.417 695 HA SER 97 HA SER 97 -6.761 -11.505 -13.962 696 HB2 SER 97 1HB SER 97 -9.564 -12.586 -13.934 697 HB3 SER 97 2HB SER 97 -8.339 -13.267 -12.864 698 HG SER 97 HG SER 97 -9.712 -11.364 -12.148 699 H SER 98 H SER 98 -5.526 -13.345 -13.645 700 HA SER 98 HA SER 98 -5.809 -15.440 -15.699 701 HB2 SER 98 1HB SER 98 -3.451 -15.565 -15.943 702 HB3 SER 98 2HB SER 98 -3.833 -13.844 -15.966 703 HG SER 98 HG SER 98 -2.672 -13.606 -14.240 704 H GLY 99 H GLY 99 -6.236 -17.374 -14.881 705 HA2 GLY 99 1HA GLY 99 -5.585 -17.882 -12.057 706 HA3 GLY 99 2HA GLY 99 -6.808 -18.731 -12.992 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 20.118 18.860 0.697 2 HA2 GLY 1 1HA GLY 1 19.756 21.427 -0.310 3 HA3 GLY 1 2HA GLY 1 18.301 21.034 0.595 4 H SER 2 H SER 2 18.373 22.008 2.502 5 HA SER 2 HA SER 2 20.879 21.850 4.044 6 HB2 SER 2 1HB SER 2 18.982 24.176 3.735 7 HB3 SER 2 2HB SER 2 20.114 24.063 5.083 8 HG SER 2 HG SER 2 21.139 25.197 3.491 9 H SER 3 H SER 3 20.664 21.690 6.318 10 HA SER 3 HA SER 3 18.295 20.239 7.125 11 HB2 SER 3 1HB SER 3 20.944 20.824 8.434 12 HB3 SER 3 2HB SER 3 19.616 20.099 9.339 13 HG SER 3 HG SER 3 20.722 19.059 6.939 14 H GLY 4 H GLY 4 17.177 20.727 9.162 15 HA2 GLY 4 1HA GLY 4 17.265 23.550 9.954 16 HA3 GLY 4 2HA GLY 4 15.743 22.899 9.363 17 H SER 5 H SER 5 16.252 24.019 11.961 18 HA SER 5 HA SER 5 16.350 21.778 13.796 19 HB2 SER 5 1HB SER 5 16.405 23.384 15.539 20 HB3 SER 5 2HB SER 5 17.364 24.086 14.236 21 HG SER 5 HG SER 5 15.165 25.049 13.650 22 H SER 6 H SER 6 14.659 20.830 14.776 23 HA SER 6 HA SER 6 12.034 22.087 14.725 24 HB2 SER 6 1HB SER 6 10.921 20.381 13.544 25 HB3 SER 6 2HB SER 6 12.384 20.664 12.601 26 HG SER 6 HG SER 6 11.609 18.384 13.455 27 H GLY 7 H GLY 7 10.763 21.513 16.426 28 HA2 GLY 7 1HA GLY 7 11.123 19.104 17.914 29 HA3 GLY 7 2HA GLY 7 11.857 20.474 18.733 30 H SER 8 H SER 8 9.123 18.662 18.533 31 HA SER 8 HA SER 8 6.967 18.901 19.227 32 HB2 SER 8 1HB SER 8 8.200 19.507 21.318 33 HB3 SER 8 2HB SER 8 8.076 21.203 20.851 34 HG SER 8 HG SER 8 6.042 19.416 21.622 35 H GLN 9 H GLN 9 7.493 20.123 16.791 36 HA GLN 9 HA GLN 9 5.759 22.503 16.916 37 HB2 GLN 9 1HB GLN 9 8.151 22.917 16.212 38 HB3 GLN 9 2HB GLN 9 7.822 21.945 14.785 39 HG2 GLN 9 1HG GLN 9 6.489 23.532 13.834 40 HG3 GLN 9 2HG GLN 9 6.009 24.217 15.386 41 HE21 GLN 9 1HE2 GLN 9 6.446 26.278 14.426 42 HE22 GLN 9 2HE2 GLN 9 8.067 26.871 14.347 43 H GLY 10 H GLY 10 6.784 19.823 14.800 44 HA2 GLY 10 1HA GLY 10 5.606 18.562 13.287 45 HA3 GLY 10 2HA GLY 10 4.174 18.969 14.221 46 H ASP 11 H ASP 11 5.990 19.582 11.370 47 HA ASP 11 HA ASP 11 4.207 21.784 10.607 48 HB2 ASP 11 1HB ASP 11 6.704 20.801 9.209 49 HB3 ASP 11 2HB ASP 11 5.795 22.262 8.831 50 H CYS 12 H CYS 12 3.227 21.779 8.495 51 HA CYS 12 HA CYS 12 2.695 19.056 7.502 52 HB2 CYS 12 1HB CYS 12 0.756 20.161 8.619 53 HB3 CYS 12 2HB CYS 12 0.826 21.432 7.404 54 HG CYS 12 HG CYS 12 0.537 19.300 5.342 55 H SER 13 H SER 13 2.729 18.683 5.320 56 HA SER 13 HA SER 13 3.136 20.918 3.494 57 HB2 SER 13 1HB SER 13 5.399 20.135 4.348 58 HB3 SER 13 2HB SER 13 5.088 18.613 3.514 59 HG SER 13 HG SER 13 5.130 21.181 2.302 60 H TYR 14 H TYR 14 3.153 20.172 1.193 61 HA TYR 14 HA TYR 14 0.894 18.781 0.526 62 HB2 TYR 14 1HB TYR 14 1.869 18.523 -1.732 63 HB3 TYR 14 2HB TYR 14 2.101 20.144 -1.088 64 HD1 TYR 14 1HD TYR 14 4.324 20.920 -0.440 65 HD2 TYR 14 2HD TYR 14 3.748 17.040 -2.088 66 HE1 TYR 14 1HE TYR 14 6.742 20.742 -0.850 67 HE2 TYR 14 2HE TYR 14 6.165 16.851 -2.502 68 HH TYR 14 HH TYR 14 8.103 18.469 -2.856 69 H SER 15 H SER 15 0.292 16.707 0.345 70 HA SER 15 HA SER 15 1.621 14.645 1.599 71 HB2 SER 15 1HB SER 15 -0.428 14.560 -0.621 72 HB3 SER 15 2HB SER 15 0.125 13.121 0.236 73 HG SER 15 HG SER 15 -1.827 14.154 1.076 74 H ARG 16 H ARG 16 3.614 13.965 1.150 75 HA ARG 16 HA ARG 16 4.265 13.346 -1.656 76 HB2 ARG 16 1HB ARG 16 6.512 14.059 -1.336 77 HB3 ARG 16 2HB ARG 16 5.485 15.343 -0.712 78 HG2 ARG 16 1HG ARG 16 6.988 15.231 0.979 79 HG3 ARG 16 2HG ARG 16 5.840 14.020 1.554 80 HD2 ARG 16 1HD ARG 16 7.202 12.249 0.586 81 HD3 ARG 16 2HD ARG 16 8.332 13.446 -0.046 82 HE ARG 16 HE ARG 16 8.160 13.845 2.698 83 HH11 ARG 16 1HH1 ARG 16 9.210 11.363 0.494 84 HH12 ARG 16 2HH1 ARG 16 10.405 10.726 1.574 85 HH21 ARG 16 1HH2 ARG 16 9.730 13.016 4.130 86 HH22 ARG 16 2HH2 ARG 16 10.699 11.666 3.643 87 H THR 17 H THR 17 4.504 12.445 1.713 88 HA THR 17 HA THR 17 5.489 9.793 0.882 89 HB THR 17 HB THR 17 7.176 11.069 2.200 90 HG1 THR 17 1HG THR 17 7.757 9.198 3.012 91 HG21 THR 17 3HG2 THR 17 5.802 12.374 3.654 92 HG22 THR 17 1HG2 THR 17 6.727 11.267 4.667 93 HG23 THR 17 2HG2 THR 17 5.031 10.933 4.317 94 H ALA 18 H ALA 18 2.741 10.629 1.067 95 HA ALA 18 HA ALA 18 1.519 9.871 3.479 96 HB1 ALA 18 3HB ALA 18 0.255 9.561 0.770 97 HB2 ALA 18 1HB ALA 18 -0.527 9.911 2.312 98 HB3 ALA 18 2HB ALA 18 0.484 11.132 1.538 99 H LEU 19 H LEU 19 1.684 8.010 0.434 100 HA LEU 19 HA LEU 19 0.629 5.648 1.113 101 HB2 LEU 19 1HB LEU 19 3.321 5.537 -0.161 102 HB3 LEU 19 2HB LEU 19 1.854 4.647 -0.561 103 HG LEU 19 HG LEU 19 2.542 7.491 -1.271 104 HD11 LEU 19 1HD1 LEU 19 1.699 5.260 -3.091 105 HD12 LEU 19 2HD1 LEU 19 3.383 5.493 -2.623 106 HD13 LEU 19 3HD1 LEU 19 2.527 6.765 -3.493 107 HD21 LEU 19 3HD2 LEU 19 0.190 7.324 -0.524 108 HD22 LEU 19 1HD2 LEU 19 -0.076 6.066 -1.732 109 HD23 LEU 19 2HD2 LEU 19 0.344 7.702 -2.241 110 H TYR 20 H TYR 20 3.914 6.661 1.992 111 HA TYR 20 HA TYR 20 4.613 4.283 3.345 112 HB2 TYR 20 1HB TYR 20 5.708 7.025 3.963 113 HB3 TYR 20 2HB TYR 20 6.512 5.471 4.153 114 HD1 TYR 20 2HD TYR 20 5.301 7.925 1.667 115 HD2 TYR 20 1HD TYR 20 7.694 4.475 2.352 116 HE1 TYR 20 2HE TYR 20 6.281 8.167 -0.576 117 HE2 TYR 20 1HE TYR 20 8.682 4.707 0.112 118 HH TYR 20 HH TYR 20 9.002 6.881 -1.541 119 H ASP 21 H ASP 21 3.438 7.416 4.554 120 HA ASP 21 HA ASP 21 3.418 6.871 7.262 121 HB2 ASP 21 1HB ASP 21 2.914 9.075 6.803 122 HB3 ASP 21 2HB ASP 21 1.805 8.660 5.499 123 H LEU 22 H LEU 22 0.710 6.427 4.984 124 HA LEU 22 HA LEU 22 -1.239 5.433 6.542 125 HB2 LEU 22 1HB LEU 22 -0.306 4.591 3.830 126 HB3 LEU 22 2HB LEU 22 -1.650 3.751 4.600 127 HG LEU 22 HG LEU 22 -2.564 6.232 4.848 128 HD11 LEU 22 1HD1 LEU 22 -2.028 7.446 2.711 129 HD12 LEU 22 2HD1 LEU 22 -0.671 6.338 2.513 130 HD13 LEU 22 3HD1 LEU 22 -0.736 7.411 3.911 131 HD21 LEU 22 3HD2 LEU 22 -3.664 4.345 3.712 132 HD22 LEU 22 1HD2 LEU 22 -2.695 4.667 2.273 133 HD23 LEU 22 2HD2 LEU 22 -3.862 5.864 2.836 134 H LEU 23 H LEU 23 1.441 3.467 5.266 135 HA LEU 23 HA LEU 23 0.664 1.148 6.757 136 HB2 LEU 23 1HB LEU 23 2.915 1.899 4.972 137 HB3 LEU 23 2HB LEU 23 3.155 0.544 6.073 138 HG LEU 23 HG LEU 23 1.280 -0.632 5.069 139 HD11 LEU 23 1HD1 LEU 23 0.517 0.499 2.801 140 HD12 LEU 23 2HD1 LEU 23 0.893 1.971 3.697 141 HD13 LEU 23 3HD1 LEU 23 -0.297 0.833 4.330 142 HD21 LEU 23 3HD2 LEU 23 2.234 -0.952 2.795 143 HD22 LEU 23 1HD2 LEU 23 3.431 -1.033 4.088 144 HD23 LEU 23 2HD2 LEU 23 3.302 0.419 3.096 145 H GLY 24 H GLY 24 3.620 3.152 6.913 146 HA2 GLY 24 1HA GLY 24 4.020 4.097 9.233 147 HA3 GLY 24 2HA GLY 24 3.808 2.438 9.771 148 H VAL 25 H VAL 25 5.409 3.023 6.762 149 HA VAL 25 HA VAL 25 7.945 2.195 8.004 150 HB VAL 25 HB VAL 25 8.628 1.453 5.758 151 HG11 VAL 25 1HG1 VAL 25 7.614 -0.166 7.227 152 HG12 VAL 25 2HG1 VAL 25 5.999 0.340 6.729 153 HG13 VAL 25 3HG1 VAL 25 7.068 -0.460 5.576 154 HG21 VAL 25 3HG2 VAL 25 6.976 1.356 3.946 155 HG22 VAL 25 1HG2 VAL 25 5.828 2.238 4.954 156 HG23 VAL 25 2HG2 VAL 25 7.320 3.017 4.427 157 HA PRO 26 HA PRO 26 9.864 6.028 7.042 158 HB2 PRO 26 1HB PRO 26 12.418 5.216 6.605 159 HB3 PRO 26 2HB PRO 26 11.686 5.262 8.214 160 HG2 PRO 26 1HG PRO 26 12.059 2.934 6.369 161 HG3 PRO 26 2HG PRO 26 12.319 3.026 8.120 162 HD2 PRO 26 1HD PRO 26 10.092 1.936 7.034 163 HD3 PRO 26 2HD PRO 26 10.076 2.784 8.593 164 H SER 27 H SER 27 10.922 7.235 5.357 165 HA SER 27 HA SER 27 9.991 6.662 2.781 166 HB2 SER 27 1HB SER 27 11.392 8.545 2.046 167 HB3 SER 27 2HB SER 27 10.533 8.940 3.535 168 HG SER 27 HG SER 27 13.068 7.818 3.786 169 H THR 28 H THR 28 12.735 5.514 4.448 170 HA THR 28 HA THR 28 13.843 4.442 1.934 171 HB THR 28 HB THR 28 15.387 6.047 2.980 172 HG1 THR 28 1HG THR 28 16.158 4.097 1.891 173 HG21 THR 28 3HG2 THR 28 16.453 5.466 5.134 174 HG22 THR 28 1HG2 THR 28 15.306 4.141 5.323 175 HG23 THR 28 2HG2 THR 28 14.732 5.809 5.305 176 H ALA 29 H ALA 29 11.773 3.256 3.582 177 HA ALA 29 HA ALA 29 12.838 1.217 5.236 178 HB1 ALA 29 3HB ALA 29 10.380 2.189 4.923 179 HB2 ALA 29 1HB ALA 29 10.239 0.771 3.883 180 HB3 ALA 29 2HB ALA 29 10.685 0.581 5.579 181 H THR 30 H THR 30 11.986 -1.168 4.590 182 HA THR 30 HA THR 30 13.171 -1.750 1.953 183 HB THR 30 HB THR 30 14.669 -2.535 3.677 184 HG1 THR 30 1HG THR 30 14.492 -4.867 3.191 185 HG21 THR 30 3HG2 THR 30 14.064 -3.907 5.478 186 HG22 THR 30 1HG2 THR 30 12.510 -4.324 4.756 187 HG23 THR 30 2HG2 THR 30 12.775 -2.706 5.405 188 H GLN 31 H GLN 31 12.367 -3.639 0.852 189 HA GLN 31 HA GLN 31 9.641 -3.785 0.595 190 HB2 GLN 31 1HB GLN 31 11.728 -5.892 0.034 191 HB3 GLN 31 2HB GLN 31 10.045 -6.048 -0.453 192 HG2 GLN 31 1HG GLN 31 11.099 -5.253 -2.356 193 HG3 GLN 31 2HG GLN 31 10.381 -3.809 -1.645 194 HE21 GLN 31 1HE2 GLN 31 11.670 -2.171 -0.991 195 HE22 GLN 31 2HE2 GLN 31 13.389 -2.162 -1.162 196 H ALA 32 H ALA 32 11.722 -5.858 2.586 197 HA ALA 32 HA ALA 32 9.850 -7.667 3.509 198 HB1 ALA 32 3HB ALA 32 12.498 -7.019 4.112 199 HB2 ALA 32 1HB ALA 32 11.629 -6.913 5.643 200 HB3 ALA 32 2HB ALA 32 11.575 -8.402 4.699 201 H GLN 33 H GLN 33 10.443 -4.363 4.548 202 HA GLN 33 HA GLN 33 8.672 -4.540 6.811 203 HB2 GLN 33 1HB GLN 33 10.067 -2.228 5.467 204 HB3 GLN 33 2HB GLN 33 8.994 -2.023 6.845 205 HG2 GLN 33 1HG GLN 33 10.457 -3.571 8.130 206 HG3 GLN 33 2HG GLN 33 11.572 -3.568 6.765 207 HE21 GLN 33 1HE2 GLN 33 13.278 -2.439 7.381 208 HE22 GLN 33 2HE2 GLN 33 13.245 -0.870 8.103 209 H ILE 34 H ILE 34 8.569 -2.460 3.913 210 HA ILE 34 HA ILE 34 6.119 -1.420 3.989 211 HB ILE 34 HB ILE 34 7.303 -2.759 1.554 212 HG12 ILE 34 1HG1 ILE 34 7.326 0.168 2.286 213 HG13 ILE 34 2HG1 ILE 34 8.621 -0.932 2.747 214 HG21 ILE 34 1HG2 ILE 34 4.927 -2.394 1.239 215 HG22 ILE 34 2HG2 ILE 34 5.093 -0.718 1.759 216 HG23 ILE 34 3HG2 ILE 34 5.850 -1.255 0.260 217 HD11 ILE 34 3HD1 ILE 34 7.888 0.129 0.076 218 HD12 ILE 34 1HD1 ILE 34 9.474 -0.073 0.821 219 HD13 ILE 34 2HD1 ILE 34 8.617 -1.473 0.175 220 H LYS 35 H LYS 35 6.805 -4.801 3.295 221 HA LYS 35 HA LYS 35 4.081 -5.471 2.695 222 HB2 LYS 35 1HB LYS 35 6.256 -6.680 1.954 223 HB3 LYS 35 2HB LYS 35 6.170 -7.462 3.527 224 HG2 LYS 35 1HG LYS 35 4.035 -8.421 2.998 225 HG3 LYS 35 2HG LYS 35 3.960 -7.517 1.484 226 HD2 LYS 35 1HD LYS 35 6.028 -8.720 0.757 227 HD3 LYS 35 2HD LYS 35 5.892 -9.716 2.208 228 HE2 LYS 35 1HE LYS 35 3.550 -10.287 1.416 229 HE3 LYS 35 2HE LYS 35 3.993 -9.544 -0.120 230 HZ1 LYS 35 3HZ LYS 35 5.482 -11.201 -0.595 231 HZ2 LYS 35 1HZ LYS 35 4.307 -12.082 0.244 232 HZ3 LYS 35 2HZ LYS 35 5.733 -11.616 1.025 233 H ALA 36 H ALA 36 6.246 -6.262 5.418 234 HA ALA 36 HA ALA 36 4.430 -7.549 7.048 235 HB1 ALA 36 3HB ALA 36 6.306 -7.708 8.224 236 HB2 ALA 36 1HB ALA 36 7.027 -6.357 7.349 237 HB3 ALA 36 2HB ALA 36 6.042 -6.056 8.781 238 H ALA 37 H ALA 37 5.024 -4.076 6.721 239 HA ALA 37 HA ALA 37 3.283 -3.272 8.808 240 HB1 ALA 37 3HB ALA 37 4.059 -1.231 8.353 241 HB2 ALA 37 1HB ALA 37 5.109 -2.013 7.171 242 HB3 ALA 37 2HB ALA 37 3.564 -1.330 6.664 243 H TYR 38 H TYR 38 2.854 -3.653 5.313 244 HA TYR 38 HA TYR 38 0.239 -2.622 5.172 245 HB2 TYR 38 1HB TYR 38 1.520 -2.865 3.156 246 HB3 TYR 38 2HB TYR 38 1.703 -4.596 3.415 247 HD1 TYR 38 1HD TYR 38 -0.959 -2.022 2.930 248 HD2 TYR 38 2HD TYR 38 0.272 -6.049 2.319 249 HE1 TYR 38 1HE TYR 38 -2.981 -2.430 1.591 250 HE2 TYR 38 2HE TYR 38 -1.747 -6.468 0.977 251 HH TYR 38 HH TYR 38 -3.482 -4.377 -0.439 252 H TYR 39 H TYR 39 1.491 -5.792 5.973 253 HA TYR 39 HA TYR 39 -0.991 -7.173 5.800 254 HB2 TYR 39 1HB TYR 39 1.711 -7.770 6.920 255 HB3 TYR 39 2HB TYR 39 0.357 -8.773 7.430 256 HD1 TYR 39 2HD TYR 39 1.440 -7.289 4.167 257 HD2 TYR 39 1HD TYR 39 0.312 -10.785 6.315 258 HE1 TYR 39 2HE TYR 39 1.656 -8.617 2.108 259 HE2 TYR 39 1HE TYR 39 0.526 -12.122 4.262 260 HH TYR 39 HH TYR 39 0.488 -11.003 1.325 261 H ARG 40 H ARG 40 0.943 -6.351 8.686 262 HA ARG 40 HA ARG 40 -0.738 -6.946 10.690 263 HB2 ARG 40 1HB ARG 40 0.171 -5.018 11.954 264 HB3 ARG 40 2HB ARG 40 1.417 -5.933 11.115 265 HG2 ARG 40 1HG ARG 40 1.639 -4.263 9.444 266 HG3 ARG 40 2HG ARG 40 0.196 -3.419 10.009 267 HD2 ARG 40 1HD ARG 40 2.253 -2.292 10.723 268 HD3 ARG 40 2HD ARG 40 1.309 -2.869 12.096 269 HE ARG 40 HE ARG 40 3.016 -4.890 11.737 270 HH11 ARG 40 1HH1 ARG 40 3.527 -1.448 11.862 271 HH12 ARG 40 2HH1 ARG 40 5.129 -1.578 12.510 272 HH21 ARG 40 1HH2 ARG 40 5.124 -5.074 12.590 273 HH22 ARG 40 2HH2 ARG 40 6.037 -3.641 12.922 274 H GLN 41 H GLN 41 -1.059 -4.173 8.543 275 HA GLN 41 HA GLN 41 -3.015 -2.718 9.827 276 HB2 GLN 41 1HB GLN 41 -2.486 -3.203 6.906 277 HB3 GLN 41 2HB GLN 41 -3.791 -2.151 7.436 278 HG2 GLN 41 1HG GLN 41 -0.845 -1.779 7.666 279 HG3 GLN 41 2HG GLN 41 -2.079 -0.662 7.085 280 HE21 GLN 41 1HE2 GLN 41 0.081 -0.912 9.375 281 HE22 GLN 41 2HE2 GLN 41 -0.734 -0.178 10.710 282 H CYS 42 H CYS 42 -3.661 -5.115 7.261 283 HA CYS 42 HA CYS 42 -6.318 -5.291 7.232 284 HB2 CYS 42 1HB CYS 42 -4.661 -6.818 6.060 285 HB3 CYS 42 2HB CYS 42 -4.664 -7.798 7.521 286 HG CYS 42 HG CYS 42 -6.836 -7.734 5.027 287 H PHE 43 H PHE 43 -4.311 -6.807 9.739 288 HA PHE 43 HA PHE 43 -6.342 -8.023 11.203 289 HB2 PHE 43 1HB PHE 43 -3.987 -8.484 11.625 290 HB3 PHE 43 2HB PHE 43 -3.741 -6.834 12.188 291 HD1 PHE 43 1HD PHE 43 -4.726 -6.097 14.325 292 HD2 PHE 43 2HD PHE 43 -4.915 -10.150 13.037 293 HE1 PHE 43 1HE PHE 43 -5.275 -6.797 16.619 294 HE2 PHE 43 2HE PHE 43 -5.465 -10.856 15.329 295 HZ PHE 43 HZ PHE 43 -5.646 -9.179 17.123 296 H LEU 44 H LEU 44 -4.861 -4.824 11.728 297 HA LEU 44 HA LEU 44 -6.296 -3.949 13.881 298 HB2 LEU 44 1HB LEU 44 -5.144 -2.578 11.505 299 HB3 LEU 44 2HB LEU 44 -6.180 -1.649 12.587 300 HG LEU 44 HG LEU 44 -3.753 -3.149 13.548 301 HD11 LEU 44 1HD1 LEU 44 -3.986 -0.379 12.422 302 HD12 LEU 44 2HD1 LEU 44 -2.820 -1.640 12.025 303 HD13 LEU 44 3HD1 LEU 44 -2.727 -0.812 13.579 304 HD21 LEU 44 3HD2 LEU 44 -5.186 -0.789 14.749 305 HD22 LEU 44 1HD2 LEU 44 -3.955 -1.808 15.496 306 HD23 LEU 44 2HD2 LEU 44 -5.558 -2.464 15.160 307 H TYR 45 H TYR 45 -7.310 -3.909 10.490 308 HA TYR 45 HA TYR 45 -10.042 -3.279 11.400 309 HB2 TYR 45 1HB TYR 45 -8.914 -2.673 8.665 310 HB3 TYR 45 2HB TYR 45 -10.448 -2.130 9.335 311 HD1 TYR 45 2HD TYR 45 -6.768 -1.835 9.786 312 HD2 TYR 45 1HD TYR 45 -10.587 -0.086 10.463 313 HE1 TYR 45 2HE TYR 45 -5.678 0.214 10.601 314 HE2 TYR 45 1HE TYR 45 -9.508 1.969 11.278 315 HH TYR 45 HH TYR 45 -7.084 2.460 12.385 316 H HIS 46 H HIS 46 -10.819 -5.341 11.593 317 HA HIS 46 HA HIS 46 -10.549 -7.161 9.318 318 HB2 HIS 46 1HB HIS 46 -11.192 -7.480 12.205 319 HB3 HIS 46 2HB HIS 46 -11.908 -8.636 11.087 320 HD2 HIS 46 2HD HIS 46 -8.827 -8.371 13.130 321 HE1 HIS 46 1HE HIS 46 -7.699 -10.720 9.783 322 HE2 HIS 46 2HE HIS 46 -7.106 -10.022 12.129 323 HA PRO 47 HA PRO 47 -14.615 -6.497 7.804 324 HB2 PRO 47 1HB PRO 47 -15.231 -8.971 6.873 325 HB3 PRO 47 2HB PRO 47 -14.068 -7.906 6.074 326 HG2 PRO 47 1HG PRO 47 -13.570 -10.203 7.929 327 HG3 PRO 47 2HG PRO 47 -12.731 -9.775 6.426 328 HD2 PRO 47 1HD PRO 47 -11.724 -9.198 8.873 329 HD3 PRO 47 2HD PRO 47 -11.442 -8.165 7.457 330 H ASP 48 H ASP 48 -14.009 -8.739 10.333 331 HA ASP 48 HA ASP 48 -16.828 -9.298 10.795 332 HB2 ASP 48 1HB ASP 48 -14.392 -10.146 12.377 333 HB3 ASP 48 2HB ASP 48 -16.036 -10.734 12.616 334 H ARG 49 H ARG 49 -14.139 -7.614 12.373 335 HA ARG 49 HA ARG 49 -15.597 -6.777 14.647 336 HB2 ARG 49 1HB ARG 49 -13.034 -5.915 13.355 337 HB3 ARG 49 2HB ARG 49 -13.719 -4.954 14.659 338 HG2 ARG 49 1HG ARG 49 -12.284 -6.341 15.795 339 HG3 ARG 49 2HG ARG 49 -13.809 -7.220 15.926 340 HD2 ARG 49 1HD ARG 49 -13.032 -8.399 13.756 341 HD3 ARG 49 2HD ARG 49 -11.435 -7.795 14.194 342 HE ARG 49 HE ARG 49 -12.245 -9.001 16.459 343 HH11 ARG 49 1HH1 ARG 49 -12.164 -10.039 13.137 344 HH12 ARG 49 2HH1 ARG 49 -11.931 -11.710 13.529 345 HH21 ARG 49 1HH2 ARG 49 -11.938 -11.199 16.988 346 HH22 ARG 49 2HH2 ARG 49 -11.804 -12.369 15.719 347 H ASN 50 H ASN 50 -14.674 -5.015 11.688 348 HA ASN 50 HA ASN 50 -16.261 -2.731 12.360 349 HB2 ASN 50 1HB ASN 50 -15.008 -3.527 9.722 350 HB3 ASN 50 2HB ASN 50 -15.688 -1.946 10.093 351 HD21 ASN 50 1HD2 ASN 50 -12.982 -4.003 10.352 352 HD22 ASN 50 2HD2 ASN 50 -11.949 -2.917 11.212 353 H SER 51 H SER 51 -16.603 -5.405 10.048 354 HA SER 51 HA SER 51 -18.434 -6.321 9.051 355 HB2 SER 51 1HB SER 51 -19.387 -6.210 11.367 356 HB3 SER 51 2HB SER 51 -20.073 -4.637 10.960 357 HG SER 51 HG SER 51 -21.240 -5.685 9.281 358 H GLY 52 H GLY 52 -17.228 -4.043 7.915 359 HA2 GLY 52 1HA GLY 52 -17.715 -2.859 5.963 360 HA3 GLY 52 2HA GLY 52 -19.426 -3.145 6.244 361 H SER 53 H SER 53 -16.851 -1.554 8.128 362 HA SER 53 HA SER 53 -18.630 0.510 8.997 363 HB2 SER 53 1HB SER 53 -16.777 -0.255 10.415 364 HB3 SER 53 2HB SER 53 -15.615 0.313 9.216 365 HG SER 53 HG SER 53 -15.931 2.316 9.840 366 H ALA 54 H ALA 54 -18.636 2.689 8.447 367 HA ALA 54 HA ALA 54 -18.135 3.283 5.722 368 HB1 ALA 54 3HB ALA 54 -18.736 5.629 6.414 369 HB2 ALA 54 1HB ALA 54 -19.942 4.394 6.776 370 HB3 ALA 54 2HB ALA 54 -18.903 5.016 8.059 371 H GLU 55 H GLU 55 -16.678 4.642 8.686 372 HA GLU 55 HA GLU 55 -14.725 6.190 7.489 373 HB2 GLU 55 1HB GLU 55 -14.512 4.678 10.099 374 HB3 GLU 55 2HB GLU 55 -13.498 6.030 9.614 375 HG2 GLU 55 1HG GLU 55 -16.474 6.300 9.800 376 HG3 GLU 55 2HG GLU 55 -15.437 6.484 11.214 377 H ALA 56 H ALA 56 -14.408 2.838 8.654 378 HA ALA 56 HA ALA 56 -11.772 2.404 7.885 379 HB1 ALA 56 3HB ALA 56 -12.230 0.063 8.064 380 HB2 ALA 56 1HB ALA 56 -13.153 0.899 9.313 381 HB3 ALA 56 2HB ALA 56 -13.959 0.333 7.850 382 H ALA 57 H ALA 57 -14.762 1.865 6.045 383 HA ALA 57 HA ALA 57 -14.012 0.622 3.808 384 HB1 ALA 57 3HB ALA 57 -15.393 3.024 2.998 385 HB2 ALA 57 1HB ALA 57 -15.956 1.353 3.019 386 HB3 ALA 57 2HB ALA 57 -16.090 2.348 4.469 387 H GLU 58 H GLU 58 -13.694 4.173 4.046 388 HA GLU 58 HA GLU 58 -12.183 4.523 1.738 389 HB2 GLU 58 1HB GLU 58 -12.081 6.166 4.274 390 HB3 GLU 58 2HB GLU 58 -11.514 6.684 2.693 391 HG2 GLU 58 1HG GLU 58 -14.356 6.040 3.442 392 HG3 GLU 58 2HG GLU 58 -13.677 7.646 3.187 393 H ARG 59 H ARG 59 -11.092 4.047 5.084 394 HA ARG 59 HA ARG 59 -8.353 4.294 4.659 395 HB2 ARG 59 1HB ARG 59 -9.467 4.158 6.883 396 HB3 ARG 59 2HB ARG 59 -9.709 2.437 6.619 397 HG2 ARG 59 1HG ARG 59 -7.395 1.995 6.710 398 HG3 ARG 59 2HG ARG 59 -6.989 3.708 6.585 399 HD2 ARG 59 1HD ARG 59 -8.561 2.575 8.885 400 HD3 ARG 59 2HD ARG 59 -6.800 2.652 8.887 401 HE ARG 59 HE ARG 59 -8.640 4.848 9.208 402 HH11 ARG 59 1HH1 ARG 59 -5.399 3.894 8.369 403 HH12 ARG 59 2HH1 ARG 59 -4.708 5.439 8.741 404 HH21 ARG 59 1HH2 ARG 59 -7.742 6.886 9.702 405 HH22 ARG 59 2HH2 ARG 59 -6.042 7.140 9.500 406 H PHE 60 H PHE 60 -10.082 1.198 5.057 407 HA PHE 60 HA PHE 60 -8.169 -0.565 4.344 408 HB2 PHE 60 1HB PHE 60 -10.638 -0.997 4.918 409 HB3 PHE 60 2HB PHE 60 -10.937 -0.837 3.190 410 HD1 PHE 60 1HD PHE 60 -8.654 -2.653 5.515 411 HD2 PHE 60 2HD PHE 60 -10.932 -2.746 1.921 412 HE1 PHE 60 1HE PHE 60 -8.050 -5.017 5.198 413 HE2 PHE 60 2HE PHE 60 -10.333 -5.111 1.598 414 HZ PHE 60 HZ PHE 60 -8.891 -6.250 3.238 415 H THR 61 H THR 61 -10.230 1.202 2.053 416 HA THR 61 HA THR 61 -9.146 0.096 -0.293 417 HB THR 61 HB THR 61 -10.429 2.806 0.108 418 HG1 THR 61 1HG THR 61 -12.028 1.416 0.493 419 HG21 THR 61 3HG2 THR 61 -9.012 2.439 -1.997 420 HG22 THR 61 1HG2 THR 61 -10.676 2.976 -2.221 421 HG23 THR 61 2HG2 THR 61 -10.253 1.283 -2.477 422 H ARG 62 H ARG 62 -8.366 3.107 1.434 423 HA ARG 62 HA ARG 62 -6.399 4.036 -0.323 424 HB2 ARG 62 1HB ARG 62 -6.913 4.471 2.605 425 HB3 ARG 62 2HB ARG 62 -5.511 5.187 1.821 426 HG2 ARG 62 1HG ARG 62 -7.053 6.269 0.195 427 HG3 ARG 62 2HG ARG 62 -8.405 5.661 1.152 428 HD2 ARG 62 1HD ARG 62 -6.216 7.330 2.355 429 HD3 ARG 62 2HD ARG 62 -7.633 8.052 1.596 430 HE ARG 62 HE ARG 62 -8.765 6.369 3.328 431 HH11 ARG 62 1HH1 ARG 62 -6.164 8.650 3.720 432 HH12 ARG 62 2HH1 ARG 62 -6.509 8.955 5.390 433 HH21 ARG 62 1HH2 ARG 62 -9.230 6.763 5.526 434 HH22 ARG 62 2HH2 ARG 62 -8.253 7.881 6.417 435 H ILE 63 H ILE 63 -5.975 2.241 2.731 436 HA ILE 63 HA ILE 63 -3.325 1.927 2.921 437 HB ILE 63 HB ILE 63 -5.302 -0.344 3.166 438 HG12 ILE 63 1HG1 ILE 63 -4.221 1.553 5.261 439 HG13 ILE 63 2HG1 ILE 63 -5.827 1.649 4.546 440 HG21 ILE 63 1HG2 ILE 63 -3.711 -1.556 4.357 441 HG22 ILE 63 2HG2 ILE 63 -2.788 -0.873 3.019 442 HG23 ILE 63 3HG2 ILE 63 -2.691 -0.142 4.621 443 HD11 ILE 63 3HD1 ILE 63 -6.490 -0.385 5.555 444 HD12 ILE 63 1HD1 ILE 63 -4.837 -0.755 6.049 445 HD13 ILE 63 2HD1 ILE 63 -5.706 0.581 6.805 446 H SER 64 H SER 64 -5.330 -0.201 0.876 447 HA SER 64 HA SER 64 -3.323 -1.723 -0.248 448 HB2 SER 64 1HB SER 64 -5.644 -2.276 -0.624 449 HB3 SER 64 2HB SER 64 -5.911 -0.764 -1.490 450 HG SER 64 HG SER 64 -5.573 -2.663 -2.835 451 H GLN 65 H GLN 65 -4.490 1.464 -1.230 452 HA GLN 65 HA GLN 65 -3.246 1.809 -3.643 453 HB2 GLN 65 1HB GLN 65 -3.375 3.900 -1.465 454 HB3 GLN 65 2HB GLN 65 -3.238 4.192 -3.194 455 HG2 GLN 65 1HG GLN 65 -5.585 2.898 -1.824 456 HG3 GLN 65 2HG GLN 65 -5.504 4.576 -2.359 457 HE21 GLN 65 1HE2 GLN 65 -7.545 3.304 -3.326 458 HE22 GLN 65 2HE2 GLN 65 -7.318 2.820 -4.969 459 H ALA 66 H ALA 66 -1.813 2.162 -0.425 460 HA ALA 66 HA ALA 66 0.714 3.076 -1.280 461 HB1 ALA 66 3HB ALA 66 -0.238 1.737 1.231 462 HB2 ALA 66 1HB ALA 66 1.455 2.170 0.991 463 HB3 ALA 66 2HB ALA 66 0.213 3.423 0.980 464 H TYR 67 H TYR 67 -0.646 -0.137 -0.888 465 HA TYR 67 HA TYR 67 1.821 -1.537 -1.168 466 HB2 TYR 67 1HB TYR 67 -0.471 -2.340 -0.195 467 HB3 TYR 67 2HB TYR 67 -0.827 -2.757 -1.867 468 HD1 TYR 67 1HD TYR 67 2.129 -3.114 0.405 469 HD2 TYR 67 2HD TYR 67 -0.537 -4.990 -2.329 470 HE1 TYR 67 1HE TYR 67 3.346 -5.233 0.681 471 HE2 TYR 67 2HE TYR 67 0.672 -7.114 -2.060 472 HH TYR 67 HH TYR 67 2.252 -8.079 0.039 473 H VAL 68 H VAL 68 0.298 0.359 -3.315 474 HA VAL 68 HA VAL 68 0.724 -1.345 -5.651 475 HB VAL 68 HB VAL 68 -0.322 1.485 -5.615 476 HG11 VAL 68 1HG1 VAL 68 -0.979 1.147 -7.814 477 HG12 VAL 68 2HG1 VAL 68 0.583 0.327 -7.747 478 HG13 VAL 68 3HG1 VAL 68 -0.910 -0.609 -7.671 479 HG21 VAL 68 3HG2 VAL 68 -2.473 0.754 -5.294 480 HG22 VAL 68 1HG2 VAL 68 -2.124 -0.872 -5.882 481 HG23 VAL 68 2HG2 VAL 68 -1.596 -0.384 -4.272 482 H VAL 69 H VAL 69 1.421 2.085 -4.970 483 HA VAL 69 HA VAL 69 3.550 2.228 -6.822 484 HB VAL 69 HB VAL 69 2.987 4.040 -4.470 485 HG11 VAL 69 1HG1 VAL 69 5.108 3.992 -6.411 486 HG12 VAL 69 2HG1 VAL 69 4.153 5.467 -6.576 487 HG13 VAL 69 3HG1 VAL 69 4.884 5.056 -5.023 488 HG21 VAL 69 3HG2 VAL 69 1.095 4.417 -5.640 489 HG22 VAL 69 1HG2 VAL 69 2.155 5.398 -6.652 490 HG23 VAL 69 2HG2 VAL 69 1.758 3.748 -7.131 491 H LEU 70 H LEU 70 3.403 1.492 -3.399 492 HA LEU 70 HA LEU 70 6.313 1.448 -3.192 493 HB2 LEU 70 1HB LEU 70 4.282 0.793 -1.068 494 HB3 LEU 70 2HB LEU 70 5.994 1.140 -0.839 495 HG LEU 70 HG LEU 70 3.961 3.143 -1.816 496 HD11 LEU 70 1HD1 LEU 70 4.289 2.121 0.772 497 HD12 LEU 70 2HD1 LEU 70 3.381 3.551 0.284 498 HD13 LEU 70 3HD1 LEU 70 5.070 3.702 0.768 499 HD21 LEU 70 3HD2 LEU 70 5.633 4.726 -1.768 500 HD22 LEU 70 1HD2 LEU 70 6.509 3.311 -2.352 501 HD23 LEU 70 2HD2 LEU 70 6.637 3.790 -0.659 502 H GLY 71 H GLY 71 3.597 -0.706 -3.463 503 HA2 GLY 71 1HA GLY 71 4.309 -3.085 -2.469 504 HA3 GLY 71 2HA GLY 71 3.645 -2.945 -4.091 505 H SER 72 H SER 72 5.894 -1.549 -5.215 506 HA SER 72 HA SER 72 7.960 -3.645 -5.083 507 HB2 SER 72 1HB SER 72 6.920 -2.252 -7.563 508 HB3 SER 72 2HB SER 72 8.291 -3.361 -7.526 509 HG SER 72 HG SER 72 6.706 -4.719 -7.973 510 H ALA 73 H ALA 73 10.084 -2.990 -5.256 511 HA ALA 73 HA ALA 73 10.738 -0.425 -4.331 512 HB1 ALA 73 3HB ALA 73 12.487 -1.737 -3.838 513 HB2 ALA 73 1HB ALA 73 12.199 -2.807 -5.211 514 HB3 ALA 73 2HB ALA 73 13.069 -1.289 -5.442 515 H THR 74 H THR 74 11.200 -1.840 -7.572 516 HA THR 74 HA THR 74 12.330 0.198 -8.940 517 HB THR 74 HB THR 74 10.015 -1.474 -9.939 518 HG1 THR 74 1HG THR 74 12.831 -1.860 -9.897 519 HG21 THR 74 3HG2 THR 74 11.847 0.458 -11.261 520 HG22 THR 74 1HG2 THR 74 10.161 0.079 -11.610 521 HG23 THR 74 2HG2 THR 74 11.438 -1.017 -12.136 522 H LEU 75 H LEU 75 8.816 -0.132 -8.432 523 HA LEU 75 HA LEU 75 7.989 2.187 -9.689 524 HB2 LEU 75 1HB LEU 75 6.864 0.867 -7.224 525 HB3 LEU 75 2HB LEU 75 6.039 2.119 -8.150 526 HG LEU 75 HG LEU 75 6.823 -0.570 -9.267 527 HD11 LEU 75 1HD1 LEU 75 4.474 0.307 -7.713 528 HD12 LEU 75 2HD1 LEU 75 5.188 -1.295 -7.891 529 HD13 LEU 75 3HD1 LEU 75 4.146 -0.649 -9.159 530 HD21 LEU 75 3HD2 LEU 75 5.540 0.001 -11.150 531 HD22 LEU 75 1HD2 LEU 75 6.516 1.430 -10.810 532 HD23 LEU 75 2HD2 LEU 75 4.816 1.391 -10.341 533 H ARG 76 H ARG 76 8.903 1.763 -6.276 534 HA ARG 76 HA ARG 76 8.445 4.286 -5.312 535 HB2 ARG 76 1HB ARG 76 10.918 2.693 -4.641 536 HB3 ARG 76 2HB ARG 76 10.072 3.842 -3.614 537 HG2 ARG 76 1HG ARG 76 8.073 2.177 -3.927 538 HG3 ARG 76 2HG ARG 76 9.365 1.037 -4.306 539 HD2 ARG 76 1HD ARG 76 9.655 2.730 -1.881 540 HD3 ARG 76 2HD ARG 76 8.498 1.401 -1.830 541 HE ARG 76 HE ARG 76 10.248 -0.101 -1.882 542 HH11 ARG 76 1HH1 ARG 76 11.415 3.124 -2.478 543 HH12 ARG 76 2HH1 ARG 76 13.084 2.692 -2.307 544 HH21 ARG 76 1HH2 ARG 76 12.442 -0.683 -1.654 545 HH22 ARG 76 2HH2 ARG 76 13.667 0.526 -1.839 546 H ARG 77 H ARG 77 11.434 3.151 -6.883 547 HA ARG 77 HA ARG 77 12.744 5.651 -6.815 548 HB2 ARG 77 1HB ARG 77 13.154 3.291 -8.660 549 HB3 ARG 77 2HB ARG 77 14.252 4.656 -8.517 550 HG2 ARG 77 1HG ARG 77 14.989 4.021 -6.429 551 HG3 ARG 77 2HG ARG 77 13.534 3.082 -6.088 552 HD2 ARG 77 1HD ARG 77 15.070 1.414 -6.483 553 HD3 ARG 77 2HD ARG 77 14.355 1.616 -8.082 554 HE ARG 77 HE ARG 77 16.450 3.282 -8.196 555 HH11 ARG 77 1HH1 ARG 77 16.168 -0.024 -7.145 556 HH12 ARG 77 2HH1 ARG 77 17.786 -0.444 -7.601 557 HH21 ARG 77 1HH2 ARG 77 18.582 2.742 -8.801 558 HH22 ARG 77 2HH2 ARG 77 19.158 1.130 -8.542 559 H LYS 78 H LYS 78 10.714 4.080 -9.242 560 HA LYS 78 HA LYS 78 11.067 5.760 -11.395 561 HB2 LYS 78 1HB LYS 78 8.653 4.269 -10.400 562 HB3 LYS 78 2HB LYS 78 8.584 5.236 -11.867 563 HG2 LYS 78 1HG LYS 78 10.738 3.813 -12.461 564 HG3 LYS 78 2HG LYS 78 9.983 2.677 -11.340 565 HD2 LYS 78 1HD LYS 78 8.156 2.343 -12.698 566 HD3 LYS 78 2HD LYS 78 8.313 3.920 -13.476 567 HE2 LYS 78 1HE LYS 78 10.062 1.502 -13.911 568 HE3 LYS 78 2HE LYS 78 8.892 2.176 -15.045 569 HZ1 LYS 78 3HZ LYS 78 10.645 3.270 -15.855 570 HZ2 LYS 78 1HZ LYS 78 11.590 3.010 -14.476 571 HZ3 LYS 78 2HZ LYS 78 10.482 4.288 -14.514 572 H TYR 79 H TYR 79 8.581 6.106 -8.860 573 HA TYR 79 HA TYR 79 7.464 8.488 -9.677 574 HB2 TYR 79 1HB TYR 79 6.640 7.066 -7.802 575 HB3 TYR 79 2HB TYR 79 7.954 7.677 -6.804 576 HD1 TYR 79 1HD TYR 79 5.339 9.150 -9.045 577 HD2 TYR 79 2HD TYR 79 7.322 9.280 -5.283 578 HE1 TYR 79 1HE TYR 79 3.935 11.056 -8.377 579 HE2 TYR 79 2HE TYR 79 5.923 11.186 -4.604 580 HH TYR 79 HH TYR 79 4.583 13.108 -6.100 581 H ASP 80 H ASP 80 10.287 8.015 -7.578 582 HA ASP 80 HA ASP 80 10.776 10.740 -7.066 583 HB2 ASP 80 1HB ASP 80 12.360 8.222 -6.852 584 HB3 ASP 80 2HB ASP 80 13.228 9.754 -6.777 585 H ARG 81 H ARG 81 11.436 8.737 -9.805 586 HA ARG 81 HA ARG 81 13.209 10.770 -10.959 587 HB2 ARG 81 1HB ARG 81 12.584 7.980 -11.945 588 HB3 ARG 81 2HB ARG 81 13.766 9.081 -12.641 589 HG2 ARG 81 1HG ARG 81 13.865 7.805 -9.918 590 HG3 ARG 81 2HG ARG 81 14.901 7.452 -11.301 591 HD2 ARG 81 1HD ARG 81 15.471 9.993 -11.162 592 HD3 ARG 81 2HD ARG 81 14.871 9.844 -9.511 593 HE ARG 81 HE ARG 81 16.799 7.836 -10.169 594 HH11 ARG 81 1HH1 ARG 81 16.393 11.137 -9.141 595 HH12 ARG 81 2HH1 ARG 81 17.939 11.222 -8.364 596 HH21 ARG 81 1HH2 ARG 81 18.837 7.936 -9.149 597 HH22 ARG 81 2HH2 ARG 81 19.329 9.401 -8.370 598 H GLY 82 H GLY 82 10.108 10.621 -10.696 599 HA2 GLY 82 1HA GLY 82 8.321 11.373 -11.924 600 HA3 GLY 82 2HA GLY 82 9.505 12.111 -12.992 601 H LEU 83 H LEU 83 9.943 8.774 -12.693 602 HA LEU 83 HA LEU 83 9.188 8.345 -15.426 603 HB2 LEU 83 1HB LEU 83 10.039 6.348 -13.335 604 HB3 LEU 83 2HB LEU 83 9.962 6.066 -15.073 605 HG LEU 83 HG LEU 83 11.787 8.113 -13.831 606 HD11 LEU 83 1HD1 LEU 83 13.261 6.557 -13.247 607 HD12 LEU 83 2HD1 LEU 83 13.080 5.710 -14.782 608 HD13 LEU 83 3HD1 LEU 83 11.972 5.371 -13.453 609 HD21 LEU 83 3HD2 LEU 83 13.003 7.757 -15.988 610 HD22 LEU 83 1HD2 LEU 83 11.411 8.498 -16.154 611 HD23 LEU 83 2HD2 LEU 83 11.632 6.789 -16.532 612 H LEU 84 H LEU 84 7.660 7.980 -12.368 613 HA LEU 84 HA LEU 84 5.751 5.999 -13.161 614 HB2 LEU 84 1HB LEU 84 6.426 6.394 -10.815 615 HB3 LEU 84 2HB LEU 84 5.631 7.965 -10.878 616 HG LEU 84 HG LEU 84 3.549 6.442 -11.540 617 HD11 LEU 84 1HD1 LEU 84 4.518 4.602 -9.505 618 HD12 LEU 84 2HD1 LEU 84 5.420 4.499 -11.016 619 HD13 LEU 84 3HD1 LEU 84 3.671 4.278 -11.018 620 HD21 LEU 84 3HD2 LEU 84 4.648 7.162 -8.847 621 HD22 LEU 84 1HD2 LEU 84 3.105 6.323 -9.007 622 HD23 LEU 84 2HD2 LEU 84 3.327 7.908 -9.748 623 H SER 85 H SER 85 3.924 6.263 -14.262 624 HA SER 85 HA SER 85 2.948 9.010 -14.693 625 HB2 SER 85 1HB SER 85 3.177 6.646 -16.494 626 HB3 SER 85 2HB SER 85 1.805 7.728 -16.734 627 HG SER 85 HG SER 85 3.216 9.414 -17.082 628 H ASP 86 H ASP 86 0.665 9.335 -14.824 629 HA ASP 86 HA ASP 86 -0.837 8.331 -12.782 630 HB2 ASP 86 1HB ASP 86 -1.642 9.469 -15.447 631 HB3 ASP 86 2HB ASP 86 -2.857 8.950 -14.282 632 H GLU 87 H GLU 87 -0.292 6.896 -15.917 633 HA GLU 87 HA GLU 87 -2.340 5.085 -16.141 634 HB2 GLU 87 1HB GLU 87 -0.332 5.488 -17.696 635 HB3 GLU 87 2HB GLU 87 0.511 4.303 -16.708 636 HG2 GLU 87 1HG GLU 87 -2.149 3.576 -17.807 637 HG3 GLU 87 2HG GLU 87 -0.771 3.623 -18.904 638 H ASP 88 H ASP 88 0.597 4.790 -14.190 639 HA ASP 88 HA ASP 88 0.171 2.153 -13.305 640 HB2 ASP 88 1HB ASP 88 2.244 3.787 -13.087 641 HB3 ASP 88 2HB ASP 88 1.515 4.135 -11.522 642 H LEU 89 H LEU 89 -0.421 5.221 -11.580 643 HA LEU 89 HA LEU 89 -1.550 4.396 -9.284 644 HB2 LEU 89 1HB LEU 89 -2.647 6.575 -11.054 645 HB3 LEU 89 2HB LEU 89 -2.989 6.386 -9.335 646 HG LEU 89 HG LEU 89 -0.236 6.898 -10.453 647 HD11 LEU 89 1HD1 LEU 89 -1.853 8.967 -9.039 648 HD12 LEU 89 2HD1 LEU 89 -2.092 8.707 -10.766 649 HD13 LEU 89 3HD1 LEU 89 -0.501 9.161 -10.155 650 HD21 LEU 89 3HD2 LEU 89 -1.116 6.029 -7.939 651 HD22 LEU 89 1HD2 LEU 89 -0.718 7.736 -7.748 652 HD23 LEU 89 2HD2 LEU 89 0.490 6.614 -8.374 653 H ARG 90 H ARG 90 -3.504 4.956 -12.220 654 HA ARG 90 HA ARG 90 -5.800 3.663 -11.138 655 HB2 ARG 90 1HB ARG 90 -6.717 3.874 -13.421 656 HB3 ARG 90 2HB ARG 90 -6.042 5.386 -12.830 657 HG2 ARG 90 1HG ARG 90 -4.242 5.302 -14.276 658 HG3 ARG 90 2HG ARG 90 -4.378 3.558 -14.505 659 HD2 ARG 90 1HD ARG 90 -5.257 4.265 -16.487 660 HD3 ARG 90 2HD ARG 90 -6.726 4.240 -15.513 661 HE ARG 90 HE ARG 90 -5.327 6.764 -15.518 662 HH11 ARG 90 1HH1 ARG 90 -7.751 4.793 -17.055 663 HH12 ARG 90 2HH1 ARG 90 -8.583 6.139 -17.762 664 HH21 ARG 90 1HH2 ARG 90 -6.414 8.543 -16.443 665 HH22 ARG 90 2HH2 ARG 90 -7.821 8.271 -17.414 666 H GLY 91 H GLY 91 -3.028 2.605 -12.944 667 HA2 GLY 91 1HA GLY 91 -2.567 0.578 -13.997 668 HA3 GLY 91 2HA GLY 91 -3.016 -0.007 -12.402 669 HA PRO 92 HA PRO 92 -6.841 -0.446 -15.381 670 HB2 PRO 92 1HB PRO 92 -6.194 -0.560 -18.015 671 HB3 PRO 92 2HB PRO 92 -6.616 0.947 -17.194 672 HG2 PRO 92 1HG PRO 92 -3.914 -0.150 -17.868 673 HG3 PRO 92 2HG PRO 92 -4.517 1.510 -18.021 674 HD2 PRO 92 1HD PRO 92 -2.953 0.714 -15.960 675 HD3 PRO 92 2HD PRO 92 -4.198 1.967 -15.785 676 H GLY 93 H GLY 93 -3.725 -1.894 -15.681 677 HA2 GLY 93 1HA GLY 93 -4.140 -4.422 -15.134 678 HA3 GLY 93 2HA GLY 93 -4.842 -4.386 -16.744 679 H SER 94 H SER 94 -1.856 -3.489 -15.027 680 HA SER 94 HA SER 94 -0.112 -3.168 -17.080 681 HB2 SER 94 1HB SER 94 1.665 -3.988 -15.591 682 HB3 SER 94 2HB SER 94 0.530 -2.960 -14.716 683 HG SER 94 HG SER 94 0.884 -5.744 -14.584 684 H GLY 95 H GLY 95 0.299 -4.328 -18.834 685 HA2 GLY 95 1HA GLY 95 1.389 -6.402 -19.622 686 HA3 GLY 95 2HA GLY 95 0.260 -7.274 -18.595 687 HA PRO 96 HA PRO 96 -1.495 -7.342 -22.852 688 HB2 PRO 96 1HB PRO 96 -2.378 -9.903 -22.679 689 HB3 PRO 96 2HB PRO 96 -0.729 -9.486 -23.159 690 HG2 PRO 96 1HG PRO 96 -1.759 -10.376 -20.492 691 HG3 PRO 96 2HG PRO 96 -0.286 -10.873 -21.345 692 HD2 PRO 96 1HD PRO 96 -0.264 -9.055 -19.338 693 HD3 PRO 96 2HD PRO 96 0.875 -8.990 -20.698 694 H SER 97 H SER 97 -3.685 -7.431 -23.513 695 HA SER 97 HA SER 97 -5.651 -7.551 -21.324 696 HB2 SER 97 1HB SER 97 -6.764 -5.611 -22.101 697 HB3 SER 97 2HB SER 97 -5.051 -5.191 -22.122 698 HG SER 97 HG SER 97 -5.055 -5.192 -24.263 699 H SER 98 H SER 98 -7.925 -7.784 -22.171 700 HA SER 98 HA SER 98 -8.374 -8.817 -24.777 701 HB2 SER 98 1HB SER 98 -8.834 -11.156 -24.185 702 HB3 SER 98 2HB SER 98 -7.149 -10.747 -23.862 703 HG SER 98 HG SER 98 -8.965 -10.394 -21.782 704 H GLY 99 H GLY 99 -10.577 -9.268 -25.181 705 HA2 GLY 99 1HA GLY 99 -12.420 -8.774 -22.941 706 HA3 GLY 99 2HA GLY 99 -12.548 -7.795 -24.395 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 0.485 -5.956 18.933 2 HA2 GLY 1 1HA GLY 1 -1.251 -4.770 19.859 3 HA3 GLY 1 2HA GLY 1 -1.099 -5.804 21.272 4 H SER 2 H SER 2 0.271 -2.941 19.701 5 HA SER 2 HA SER 2 1.053 -1.964 22.369 6 HB2 SER 2 1HB SER 2 2.834 -0.696 21.319 7 HB3 SER 2 2HB SER 2 2.965 -2.383 20.821 8 HG SER 2 HG SER 2 2.644 -1.792 18.834 9 H SER 3 H SER 3 0.392 0.031 23.004 10 HA SER 3 HA SER 3 -0.782 1.890 21.129 11 HB2 SER 3 1HB SER 3 -2.744 0.591 21.460 12 HB3 SER 3 2HB SER 3 -2.447 0.446 23.192 13 HG SER 3 HG SER 3 -2.737 3.009 22.125 14 H GLY 4 H GLY 4 -0.754 3.977 21.864 15 HA2 GLY 4 1HA GLY 4 -0.896 5.076 24.301 16 HA3 GLY 4 2HA GLY 4 0.738 4.429 24.316 17 H SER 5 H SER 5 1.569 4.916 21.745 18 HA SER 5 HA SER 5 2.564 7.459 21.819 19 HB2 SER 5 1HB SER 5 3.105 5.505 20.204 20 HB3 SER 5 2HB SER 5 1.854 6.206 19.177 21 HG SER 5 HG SER 5 3.144 8.244 19.548 22 H SER 6 H SER 6 2.003 9.462 21.026 23 HA SER 6 HA SER 6 -0.554 9.813 19.686 24 HB2 SER 6 1HB SER 6 -0.873 9.856 22.254 25 HB3 SER 6 2HB SER 6 -0.047 11.413 22.186 26 HG SER 6 HG SER 6 -1.923 12.192 21.680 27 H GLY 7 H GLY 7 -0.604 11.580 18.378 28 HA2 GLY 7 1HA GLY 7 0.753 13.964 18.628 29 HA3 GLY 7 2HA GLY 7 1.874 12.883 17.815 30 H SER 8 H SER 8 0.168 15.341 17.050 31 HA SER 8 HA SER 8 -0.577 14.288 14.429 32 HB2 SER 8 1HB SER 8 -2.739 15.428 14.444 33 HB3 SER 8 2HB SER 8 -2.654 14.276 15.776 34 HG SER 8 HG SER 8 -2.904 16.999 15.830 35 H GLN 9 H GLN 9 0.588 15.442 13.051 36 HA GLN 9 HA GLN 9 0.681 18.358 13.388 37 HB2 GLN 9 1HB GLN 9 2.818 17.630 14.164 38 HB3 GLN 9 2HB GLN 9 3.002 16.521 12.812 39 HG2 GLN 9 1HG GLN 9 4.393 18.303 12.282 40 HG3 GLN 9 2HG GLN 9 2.938 18.596 11.330 41 HE21 GLN 9 1HE2 GLN 9 5.169 19.995 13.297 42 HE22 GLN 9 2HE2 GLN 9 4.273 21.379 13.812 43 H GLY 10 H GLY 10 0.151 19.454 11.604 44 HA2 GLY 10 1HA GLY 10 -0.742 18.124 9.277 45 HA3 GLY 10 2HA GLY 10 -0.518 19.859 9.445 46 H ASP 11 H ASP 11 0.131 17.838 7.279 47 HA ASP 11 HA ASP 11 3.016 18.373 7.049 48 HB2 ASP 11 1HB ASP 11 2.949 16.576 5.280 49 HB3 ASP 11 2HB ASP 11 2.587 16.025 6.914 50 H CYS 12 H CYS 12 3.671 19.848 5.637 51 HA CYS 12 HA CYS 12 1.778 20.737 3.567 52 HB2 CYS 12 1HB CYS 12 3.039 22.859 3.562 53 HB3 CYS 12 2HB CYS 12 2.374 22.491 5.149 54 HG CYS 12 HG CYS 12 5.257 23.523 4.696 55 H SER 13 H SER 13 3.426 18.425 3.229 56 HA SER 13 HA SER 13 5.200 19.369 1.072 57 HB2 SER 13 1HB SER 13 6.211 18.221 3.216 58 HB3 SER 13 2HB SER 13 5.674 16.739 2.425 59 HG SER 13 HG SER 13 7.189 16.962 0.967 60 H TYR 14 H TYR 14 5.722 17.292 -0.383 61 HA TYR 14 HA TYR 14 3.351 16.723 -1.776 62 HB2 TYR 14 1HB TYR 14 4.943 14.847 -2.779 63 HB3 TYR 14 2HB TYR 14 5.166 16.550 -3.166 64 HD1 TYR 14 2HD TYR 14 6.174 14.304 -0.344 65 HD2 TYR 14 1HD TYR 14 7.377 17.174 -3.246 66 HE1 TYR 14 2HE TYR 14 8.478 14.190 0.507 67 HE2 TYR 14 1HE TYR 14 9.685 17.067 -2.404 68 HH TYR 14 HH TYR 14 10.939 14.770 -0.764 69 H SER 15 H SER 15 2.683 14.418 -2.333 70 HA SER 15 HA SER 15 2.169 13.024 0.179 71 HB2 SER 15 1HB SER 15 0.982 12.536 -2.563 72 HB3 SER 15 2HB SER 15 0.424 11.839 -1.042 73 HG SER 15 HG SER 15 0.583 14.626 -1.276 74 H ARG 16 H ARG 16 4.771 12.736 -0.560 75 HA ARG 16 HA ARG 16 5.015 10.169 -1.932 76 HB2 ARG 16 1HB ARG 16 6.881 12.379 -1.231 77 HB3 ARG 16 2HB ARG 16 7.552 10.757 -1.347 78 HG2 ARG 16 1HG ARG 16 7.857 11.571 -3.478 79 HG3 ARG 16 2HG ARG 16 6.337 10.687 -3.634 80 HD2 ARG 16 1HD ARG 16 5.073 12.724 -3.464 81 HD3 ARG 16 2HD ARG 16 6.531 13.648 -3.103 82 HE ARG 16 HE ARG 16 5.572 12.914 -5.679 83 HH11 ARG 16 1HH1 ARG 16 8.478 13.449 -3.839 84 HH12 ARG 16 2HH1 ARG 16 9.432 13.871 -5.222 85 HH21 ARG 16 1HH2 ARG 16 6.817 13.468 -7.508 86 HH22 ARG 16 2HH2 ARG 16 8.486 13.883 -7.309 87 H THR 17 H THR 17 6.038 11.663 1.136 88 HA THR 17 HA THR 17 6.865 9.174 2.276 89 HB THR 17 HB THR 17 6.202 11.506 4.015 90 HG1 THR 17 1HG THR 17 7.417 12.784 2.857 91 HG21 THR 17 3HG2 THR 17 7.345 10.168 5.395 92 HG22 THR 17 1HG2 THR 17 8.786 10.623 4.487 93 HG23 THR 17 2HG2 THR 17 7.906 9.154 4.066 94 H ALA 18 H ALA 18 3.854 10.553 1.750 95 HA ALA 18 HA ALA 18 2.432 9.876 4.072 96 HB1 ALA 18 3HB ALA 18 0.502 10.324 2.873 97 HB2 ALA 18 1HB ALA 18 1.714 11.275 2.015 98 HB3 ALA 18 2HB ALA 18 1.180 9.727 1.359 99 H LEU 19 H LEU 19 2.782 8.063 1.020 100 HA LEU 19 HA LEU 19 1.339 5.807 1.714 101 HB2 LEU 19 1HB LEU 19 3.870 5.683 0.104 102 HB3 LEU 19 2HB LEU 19 2.424 4.688 -0.052 103 HG LEU 19 HG LEU 19 2.823 7.539 -0.926 104 HD11 LEU 19 1HD1 LEU 19 3.527 6.204 -2.656 105 HD12 LEU 19 2HD1 LEU 19 1.814 6.377 -3.039 106 HD13 LEU 19 3HD1 LEU 19 2.399 4.906 -2.260 107 HD21 LEU 19 3HD2 LEU 19 0.630 7.210 0.253 108 HD22 LEU 19 1HD2 LEU 19 0.223 6.020 -0.984 109 HD23 LEU 19 2HD2 LEU 19 0.506 7.701 -1.437 110 H TYR 20 H TYR 20 4.383 6.874 2.889 111 HA TYR 20 HA TYR 20 5.158 4.255 3.882 112 HB2 TYR 20 1HB TYR 20 6.458 6.955 4.292 113 HB3 TYR 20 2HB TYR 20 7.149 5.400 4.741 114 HD1 TYR 20 2HD TYR 20 5.934 7.326 1.794 115 HD2 TYR 20 1HD TYR 20 8.485 4.236 3.225 116 HE1 TYR 20 2HE TYR 20 6.954 7.143 -0.436 117 HE2 TYR 20 1HE TYR 20 9.514 4.046 0.999 118 HH TYR 20 HH TYR 20 9.542 4.795 -1.087 119 H ASP 21 H ASP 21 3.441 7.027 4.948 120 HA ASP 21 HA ASP 21 3.806 6.480 7.769 121 HB2 ASP 21 1HB ASP 21 3.414 8.791 6.591 122 HB3 ASP 21 2HB ASP 21 1.715 8.343 6.706 123 H LEU 22 H LEU 22 1.500 5.798 5.253 124 HA LEU 22 HA LEU 22 -0.709 5.125 6.873 125 HB2 LEU 22 1HB LEU 22 0.125 4.522 4.076 126 HB3 LEU 22 2HB LEU 22 -1.222 3.628 4.777 127 HG LEU 22 HG LEU 22 -2.096 6.062 5.323 128 HD11 LEU 22 1HD1 LEU 22 -0.075 6.444 3.153 129 HD12 LEU 22 2HD1 LEU 22 -0.397 7.440 4.572 130 HD13 LEU 22 3HD1 LEU 22 -1.524 7.447 3.216 131 HD21 LEU 22 3HD2 LEU 22 -2.338 5.230 2.469 132 HD22 LEU 22 1HD2 LEU 22 -3.578 5.801 3.586 133 HD23 LEU 22 2HD2 LEU 22 -2.944 4.162 3.736 134 H LEU 23 H LEU 23 2.131 3.350 5.869 135 HA LEU 23 HA LEU 23 1.095 0.884 7.051 136 HB2 LEU 23 1HB LEU 23 3.330 1.568 5.213 137 HB3 LEU 23 2HB LEU 23 3.489 0.129 6.217 138 HG LEU 23 HG LEU 23 1.490 -0.821 5.217 139 HD11 LEU 23 1HD1 LEU 23 0.693 0.482 3.085 140 HD12 LEU 23 2HD1 LEU 23 1.294 1.879 3.977 141 HD13 LEU 23 3HD1 LEU 23 0.034 0.863 4.676 142 HD21 LEU 23 3HD2 LEU 23 3.658 -1.212 4.141 143 HD22 LEU 23 1HD2 LEU 23 3.406 0.209 3.127 144 HD23 LEU 23 2HD2 LEU 23 2.340 -1.187 2.968 145 H GLY 24 H GLY 24 2.985 3.562 7.879 146 HA2 GLY 24 1HA GLY 24 3.915 4.043 9.954 147 HA3 GLY 24 2HA GLY 24 3.649 2.372 10.429 148 H VAL 25 H VAL 25 5.174 2.447 7.464 149 HA VAL 25 HA VAL 25 7.719 1.739 8.706 150 HB VAL 25 HB VAL 25 8.357 0.849 6.535 151 HG11 VAL 25 1HG1 VAL 25 7.032 -0.553 8.060 152 HG12 VAL 25 2HG1 VAL 25 5.556 0.001 7.267 153 HG13 VAL 25 3HG1 VAL 25 6.738 -0.950 6.367 154 HG21 VAL 25 3HG2 VAL 25 5.758 2.061 5.619 155 HG22 VAL 25 1HG2 VAL 25 7.383 2.378 5.011 156 HG23 VAL 25 2HG2 VAL 25 6.615 0.821 4.704 157 HA PRO 26 HA PRO 26 9.717 5.518 7.672 158 HB2 PRO 26 1HB PRO 26 12.278 4.641 7.479 159 HB3 PRO 26 2HB PRO 26 11.435 4.812 9.023 160 HG2 PRO 26 1HG PRO 26 11.894 2.354 7.378 161 HG3 PRO 26 2HG PRO 26 12.030 2.566 9.133 162 HD2 PRO 26 1HD PRO 26 9.865 1.433 7.967 163 HD3 PRO 26 2HD PRO 26 9.755 2.391 9.457 164 H SER 27 H SER 27 11.071 6.535 6.010 165 HA SER 27 HA SER 27 10.299 5.716 3.399 166 HB2 SER 27 1HB SER 27 12.502 7.696 3.831 167 HB3 SER 27 2HB SER 27 11.179 7.729 2.665 168 HG SER 27 HG SER 27 9.784 8.336 4.282 169 H THR 28 H THR 28 12.834 4.786 5.417 170 HA THR 28 HA THR 28 14.446 3.858 3.132 171 HB THR 28 HB THR 28 16.358 3.746 4.591 172 HG1 THR 28 1HG THR 28 14.436 4.244 6.604 173 HG21 THR 28 3HG2 THR 28 16.262 5.900 3.750 174 HG22 THR 28 1HG2 THR 28 16.314 6.200 5.486 175 HG23 THR 28 2HG2 THR 28 14.780 6.287 4.622 176 H ALA 29 H ALA 29 12.021 2.655 4.564 177 HA ALA 29 HA ALA 29 12.877 0.352 5.959 178 HB1 ALA 29 3HB ALA 29 10.511 1.499 5.725 179 HB2 ALA 29 1HB ALA 29 10.322 0.307 4.438 180 HB3 ALA 29 2HB ALA 29 10.669 -0.220 6.086 181 H THR 30 H THR 30 11.997 -1.885 5.013 182 HA THR 30 HA THR 30 13.090 -2.183 2.294 183 HB THR 30 HB THR 30 14.756 -3.036 3.823 184 HG1 THR 30 1HG THR 30 13.430 -5.350 2.873 185 HG21 THR 30 3HG2 THR 30 12.650 -4.904 4.909 186 HG22 THR 30 1HG2 THR 30 13.172 -3.429 5.722 187 HG23 THR 30 2HG2 THR 30 14.319 -4.742 5.452 188 H GLN 31 H GLN 31 12.398 -4.233 1.229 189 HA GLN 31 HA GLN 31 9.708 -4.433 0.903 190 HB2 GLN 31 1HB GLN 31 11.832 -6.551 0.607 191 HB3 GLN 31 2HB GLN 31 10.160 -6.828 0.139 192 HG2 GLN 31 1HG GLN 31 10.503 -4.623 -1.232 193 HG3 GLN 31 2HG GLN 31 12.206 -5.056 -1.093 194 HE21 GLN 31 1HE2 GLN 31 9.120 -6.674 -1.785 195 HE22 GLN 31 2HE2 GLN 31 9.703 -7.579 -3.137 196 H ALA 32 H ALA 32 11.673 -6.239 3.228 197 HA ALA 32 HA ALA 32 9.722 -7.961 4.213 198 HB1 ALA 32 3HB ALA 32 11.232 -8.520 5.808 199 HB2 ALA 32 1HB ALA 32 12.318 -7.632 4.738 200 HB3 ALA 32 2HB ALA 32 11.644 -6.843 6.165 201 H GLN 33 H GLN 33 10.500 -4.640 5.162 202 HA GLN 33 HA GLN 33 8.560 -4.573 7.269 203 HB2 GLN 33 1HB GLN 33 10.175 -2.426 5.898 204 HB3 GLN 33 2HB GLN 33 9.034 -2.081 7.192 205 HG2 GLN 33 1HG GLN 33 10.352 -3.771 8.572 206 HG3 GLN 33 2HG GLN 33 11.586 -3.645 7.320 207 HE21 GLN 33 1HE2 GLN 33 12.649 -1.658 7.015 208 HE22 GLN 33 2HE2 GLN 33 12.689 -0.462 8.260 209 H ILE 34 H ILE 34 8.760 -2.644 4.274 210 HA ILE 34 HA ILE 34 6.293 -1.541 4.210 211 HB ILE 34 HB ILE 34 7.832 -2.707 1.894 212 HG12 ILE 34 1HG1 ILE 34 7.433 0.194 2.596 213 HG13 ILE 34 2HG1 ILE 34 8.725 -0.756 3.319 214 HG21 ILE 34 1HG2 ILE 34 6.410 -1.439 0.405 215 HG22 ILE 34 2HG2 ILE 34 5.431 -2.557 1.354 216 HG23 ILE 34 3HG2 ILE 34 5.465 -0.843 1.769 217 HD11 ILE 34 3HD1 ILE 34 8.332 -0.262 0.378 218 HD12 ILE 34 1HD1 ILE 34 9.523 0.520 1.417 219 HD13 ILE 34 2HD1 ILE 34 9.630 -1.212 1.102 220 H LYS 35 H LYS 35 7.049 -4.897 3.765 221 HA LYS 35 HA LYS 35 4.417 -5.556 2.740 222 HB2 LYS 35 1HB LYS 35 6.479 -6.761 2.002 223 HB3 LYS 35 2HB LYS 35 6.631 -7.413 3.628 224 HG2 LYS 35 1HG LYS 35 4.062 -7.821 2.198 225 HG3 LYS 35 2HG LYS 35 5.465 -8.764 1.687 226 HD2 LYS 35 1HD LYS 35 5.746 -9.308 4.186 227 HD3 LYS 35 2HD LYS 35 4.087 -8.728 4.354 228 HE2 LYS 35 1HE LYS 35 3.487 -10.358 2.504 229 HE3 LYS 35 2HE LYS 35 5.095 -11.047 2.723 230 HZ1 LYS 35 3HZ LYS 35 4.571 -11.626 4.956 231 HZ2 LYS 35 1HZ LYS 35 3.308 -12.190 3.982 232 HZ3 LYS 35 2HZ LYS 35 3.102 -10.788 4.906 233 H ALA 36 H ALA 36 6.302 -6.721 5.539 234 HA ALA 36 HA ALA 36 4.370 -7.987 6.958 235 HB1 ALA 36 3HB ALA 36 6.295 -8.169 8.108 236 HB2 ALA 36 1HB ALA 36 6.824 -6.540 7.685 237 HB3 ALA 36 2HB ALA 36 5.672 -6.780 8.998 238 H ALA 37 H ALA 37 4.833 -4.507 6.711 239 HA ALA 37 HA ALA 37 3.012 -3.741 8.723 240 HB1 ALA 37 3HB ALA 37 3.121 -1.840 6.555 241 HB2 ALA 37 1HB ALA 37 3.725 -1.700 8.207 242 HB3 ALA 37 2HB ALA 37 4.730 -2.439 6.959 243 H TYR 38 H TYR 38 2.554 -3.520 5.189 244 HA TYR 38 HA TYR 38 -0.057 -2.900 5.015 245 HB2 TYR 38 1HB TYR 38 1.240 -3.234 3.019 246 HB3 TYR 38 2HB TYR 38 1.439 -4.947 3.371 247 HD1 TYR 38 1HD TYR 38 -1.299 -2.456 2.835 248 HD2 TYR 38 2HD TYR 38 0.079 -6.439 2.253 249 HE1 TYR 38 1HE TYR 38 -3.312 -2.953 1.512 250 HE2 TYR 38 2HE TYR 38 -1.929 -6.946 0.927 251 HH TYR 38 HH TYR 38 -3.613 -5.705 -0.414 252 H TYR 39 H TYR 39 1.237 -6.055 5.876 253 HA TYR 39 HA TYR 39 -1.196 -7.484 5.790 254 HB2 TYR 39 1HB TYR 39 1.484 -7.926 7.024 255 HB3 TYR 39 2HB TYR 39 0.145 -8.930 7.566 256 HD1 TYR 39 2HD TYR 39 1.174 -7.631 4.213 257 HD2 TYR 39 1HD TYR 39 0.289 -11.027 6.619 258 HE1 TYR 39 2HE TYR 39 1.483 -9.090 2.257 259 HE2 TYR 39 1HE TYR 39 0.597 -12.495 4.670 260 HH TYR 39 HH TYR 39 0.865 -11.275 1.474 261 H ARG 40 H ARG 40 0.463 -5.753 8.396 262 HA ARG 40 HA ARG 40 -1.255 -6.470 10.489 263 HB2 ARG 40 1HB ARG 40 0.615 -4.183 10.006 264 HB3 ARG 40 2HB ARG 40 -0.462 -4.136 11.396 265 HG2 ARG 40 1HG ARG 40 0.493 -6.503 11.882 266 HG3 ARG 40 2HG ARG 40 1.805 -5.987 10.820 267 HD2 ARG 40 1HD ARG 40 1.804 -3.857 12.326 268 HD3 ARG 40 2HD ARG 40 0.971 -4.902 13.477 269 HE ARG 40 HE ARG 40 2.955 -5.956 13.883 270 HH11 ARG 40 1HH1 ARG 40 3.199 -4.226 10.871 271 HH12 ARG 40 2HH1 ARG 40 4.891 -4.544 10.676 272 HH21 ARG 40 1HH2 ARG 40 5.182 -6.380 13.637 273 HH22 ARG 40 2HH2 ARG 40 6.018 -5.769 12.249 274 H GLN 41 H GLN 41 -1.344 -3.693 8.279 275 HA GLN 41 HA GLN 41 -3.440 -2.267 9.327 276 HB2 GLN 41 1HB GLN 41 -2.594 -2.743 6.481 277 HB3 GLN 41 2HB GLN 41 -3.960 -1.704 6.863 278 HG2 GLN 41 1HG GLN 41 -2.016 -0.348 6.574 279 HG3 GLN 41 2HG GLN 41 -2.467 -0.333 8.278 280 HE21 GLN 41 1HE2 GLN 41 -1.145 -1.327 9.779 281 HE22 GLN 41 2HE2 GLN 41 0.469 -1.822 9.413 282 H CYS 42 H CYS 42 -3.811 -4.648 6.693 283 HA CYS 42 HA CYS 42 -6.522 -4.783 6.546 284 HB2 CYS 42 1HB CYS 42 -4.987 -6.052 5.088 285 HB3 CYS 42 2HB CYS 42 -4.646 -7.154 6.417 286 HG CYS 42 HG CYS 42 -7.884 -6.807 5.513 287 H PHE 43 H PHE 43 -4.547 -6.895 8.638 288 HA PHE 43 HA PHE 43 -6.649 -8.152 9.956 289 HB2 PHE 43 1HB PHE 43 -4.635 -9.182 10.385 290 HB3 PHE 43 2HB PHE 43 -3.777 -7.658 10.585 291 HD1 PHE 43 1HD PHE 43 -4.100 -6.355 12.707 292 HD2 PHE 43 2HD PHE 43 -5.480 -10.353 12.230 293 HE1 PHE 43 1HE PHE 43 -4.250 -6.591 15.151 294 HE2 PHE 43 2HE PHE 43 -5.633 -10.595 14.674 295 HZ PHE 43 HZ PHE 43 -5.019 -8.712 16.138 296 H LEU 44 H LEU 44 -5.096 -5.064 10.586 297 HA LEU 44 HA LEU 44 -6.324 -4.599 13.105 298 HB2 LEU 44 1HB LEU 44 -4.927 -2.879 11.095 299 HB3 LEU 44 2HB LEU 44 -5.749 -2.150 12.473 300 HG LEU 44 HG LEU 44 -3.736 -4.300 12.955 301 HD11 LEU 44 1HD1 LEU 44 -2.242 -2.058 13.220 302 HD12 LEU 44 2HD1 LEU 44 -3.194 -1.659 11.790 303 HD13 LEU 44 3HD1 LEU 44 -2.206 -3.120 11.812 304 HD21 LEU 44 3HD2 LEU 44 -4.481 -1.795 14.461 305 HD22 LEU 44 1HD2 LEU 44 -3.399 -3.073 15.015 306 HD23 LEU 44 2HD2 LEU 44 -5.116 -3.408 14.788 307 H TYR 45 H TYR 45 -7.302 -4.110 9.802 308 HA TYR 45 HA TYR 45 -9.812 -2.898 10.764 309 HB2 TYR 45 1HB TYR 45 -8.227 -2.361 8.260 310 HB3 TYR 45 2HB TYR 45 -9.936 -1.955 8.374 311 HD1 TYR 45 2HD TYR 45 -6.863 -1.527 10.471 312 HD2 TYR 45 1HD TYR 45 -10.397 0.238 8.888 313 HE1 TYR 45 2HE TYR 45 -6.280 0.602 11.556 314 HE2 TYR 45 1HE TYR 45 -9.822 2.372 9.968 315 HH TYR 45 HH TYR 45 -8.409 3.079 12.011 316 H HIS 46 H HIS 46 -9.419 -5.670 10.665 317 HA HIS 46 HA HIS 46 -10.065 -7.094 8.449 318 HB2 HIS 46 1HB HIS 46 -10.741 -7.407 11.329 319 HB3 HIS 46 2HB HIS 46 -11.600 -8.432 10.183 320 HD2 HIS 46 2HD HIS 46 -8.643 -8.787 12.294 321 HE1 HIS 46 1HE HIS 46 -7.591 -10.871 8.751 322 HE2 HIS 46 2HE HIS 46 -7.077 -10.527 11.193 323 HA PRO 47 HA PRO 47 -14.023 -5.908 6.971 324 HB2 PRO 47 1HB PRO 47 -14.975 -8.274 6.041 325 HB3 PRO 47 2HB PRO 47 -13.684 -7.375 5.235 326 HG2 PRO 47 1HG PRO 47 -13.489 -9.722 7.084 327 HG3 PRO 47 2HG PRO 47 -12.609 -9.409 5.576 328 HD2 PRO 47 1HD PRO 47 -11.517 -8.978 8.016 329 HD3 PRO 47 2HD PRO 47 -11.108 -7.990 6.599 330 H ASP 48 H ASP 48 -13.795 -8.488 9.312 331 HA ASP 48 HA ASP 48 -16.477 -8.995 9.828 332 HB2 ASP 48 1HB ASP 48 -13.971 -9.173 11.440 333 HB3 ASP 48 2HB ASP 48 -15.513 -9.339 12.275 334 H ARG 49 H ARG 49 -14.614 -6.184 10.479 335 HA ARG 49 HA ARG 49 -16.652 -5.155 12.325 336 HB2 ARG 49 1HB ARG 49 -13.782 -4.498 11.826 337 HB3 ARG 49 2HB ARG 49 -14.840 -3.234 12.440 338 HG2 ARG 49 1HG ARG 49 -15.431 -4.674 14.340 339 HG3 ARG 49 2HG ARG 49 -14.319 -5.902 13.733 340 HD2 ARG 49 1HD ARG 49 -12.627 -3.867 13.784 341 HD3 ARG 49 2HD ARG 49 -13.751 -3.277 15.007 342 HE ARG 49 HE ARG 49 -12.819 -4.772 16.443 343 HH11 ARG 49 1HH1 ARG 49 -12.396 -5.970 13.202 344 HH12 ARG 49 2HH1 ARG 49 -11.504 -7.370 13.697 345 HH21 ARG 49 1HH2 ARG 49 -11.645 -6.611 17.107 346 HH22 ARG 49 2HH2 ARG 49 -11.078 -7.734 15.918 347 H ASN 50 H ASN 50 -14.876 -4.303 9.373 348 HA ASN 50 HA ASN 50 -16.775 -2.133 8.866 349 HB2 ASN 50 1HB ASN 50 -15.091 -1.842 6.841 350 HB3 ASN 50 2HB ASN 50 -14.693 -1.246 8.450 351 HD21 ASN 50 1HD2 ASN 50 -13.239 -2.438 9.739 352 HD22 ASN 50 2HD2 ASN 50 -12.115 -3.540 9.026 353 H SER 51 H SER 51 -17.657 -4.847 8.645 354 HA SER 51 HA SER 51 -17.656 -6.084 6.239 355 HB2 SER 51 1HB SER 51 -19.875 -5.641 8.214 356 HB3 SER 51 2HB SER 51 -20.183 -6.523 6.718 357 HG SER 51 HG SER 51 -17.962 -7.244 8.258 358 H GLY 52 H GLY 52 -19.618 -3.247 7.084 359 HA2 GLY 52 1HA GLY 52 -19.747 -2.559 4.246 360 HA3 GLY 52 2HA GLY 52 -21.277 -2.800 5.077 361 H SER 53 H SER 53 -18.371 -1.345 6.446 362 HA SER 53 HA SER 53 -19.923 1.077 6.987 363 HB2 SER 53 1HB SER 53 -17.561 -0.232 8.242 364 HB3 SER 53 2HB SER 53 -17.665 1.525 8.347 365 HG SER 53 HG SER 53 -19.920 -0.019 8.976 366 H ALA 54 H ALA 54 -19.133 3.153 6.507 367 HA ALA 54 HA ALA 54 -17.469 3.237 4.121 368 HB1 ALA 54 3HB ALA 54 -18.848 4.873 3.541 369 HB2 ALA 54 1HB ALA 54 -19.662 4.748 5.101 370 HB3 ALA 54 2HB ALA 54 -18.288 5.837 4.907 371 H GLU 55 H GLU 55 -17.474 4.463 7.435 372 HA GLU 55 HA GLU 55 -15.375 6.206 7.427 373 HB2 GLU 55 1HB GLU 55 -16.088 4.131 9.501 374 HB3 GLU 55 2HB GLU 55 -14.902 5.401 9.770 375 HG2 GLU 55 1HG GLU 55 -17.733 5.988 8.968 376 HG3 GLU 55 2HG GLU 55 -17.238 5.807 10.650 377 H ALA 56 H ALA 56 -15.181 2.670 7.601 378 HA ALA 56 HA ALA 56 -12.318 2.634 7.705 379 HB1 ALA 56 3HB ALA 56 -14.479 0.685 7.792 380 HB2 ALA 56 1HB ALA 56 -13.073 0.119 6.889 381 HB3 ALA 56 2HB ALA 56 -12.892 0.654 8.560 382 H ALA 57 H ALA 57 -14.756 2.232 5.185 383 HA ALA 57 HA ALA 57 -13.381 1.234 3.078 384 HB1 ALA 57 3HB ALA 57 -15.283 3.573 3.025 385 HB2 ALA 57 1HB ALA 57 -14.774 2.654 1.608 386 HB3 ALA 57 2HB ALA 57 -15.699 1.865 2.887 387 H GLU 58 H GLU 58 -13.584 4.755 3.647 388 HA GLU 58 HA GLU 58 -11.869 5.736 1.841 389 HB2 GLU 58 1HB GLU 58 -11.861 6.515 4.763 390 HB3 GLU 58 2HB GLU 58 -11.235 7.493 3.443 391 HG2 GLU 58 1HG GLU 58 -14.089 6.588 3.504 392 HG3 GLU 58 2HG GLU 58 -13.557 8.039 4.351 393 H ARG 59 H ARG 59 -10.899 4.114 4.831 394 HA ARG 59 HA ARG 59 -8.103 4.487 4.425 395 HB2 ARG 59 1HB ARG 59 -9.813 2.942 6.302 396 HB3 ARG 59 2HB ARG 59 -8.150 2.405 6.107 397 HG2 ARG 59 1HG ARG 59 -8.801 5.267 6.704 398 HG3 ARG 59 2HG ARG 59 -8.679 4.059 7.984 399 HD2 ARG 59 1HD ARG 59 -6.487 4.326 5.972 400 HD3 ARG 59 2HD ARG 59 -6.590 5.468 7.311 401 HE ARG 59 HE ARG 59 -6.755 3.035 8.512 402 HH11 ARG 59 1HH1 ARG 59 -4.500 4.511 6.308 403 HH12 ARG 59 2HH1 ARG 59 -3.137 3.623 6.903 404 HH21 ARG 59 1HH2 ARG 59 -4.967 1.860 9.304 405 HH22 ARG 59 2HH2 ARG 59 -3.404 2.115 8.606 406 H PHE 60 H PHE 60 -9.968 1.444 4.432 407 HA PHE 60 HA PHE 60 -8.210 -0.297 3.403 408 HB2 PHE 60 1HB PHE 60 -10.806 -0.493 3.853 409 HB3 PHE 60 2HB PHE 60 -10.904 -0.285 2.108 410 HD1 PHE 60 1HD PHE 60 -9.359 -2.376 4.751 411 HD2 PHE 60 2HD PHE 60 -10.543 -2.086 0.673 412 HE1 PHE 60 1HE PHE 60 -8.884 -4.771 4.446 413 HE2 PHE 60 2HE PHE 60 -10.071 -4.480 0.362 414 HZ PHE 60 HZ PHE 60 -9.241 -5.826 2.250 415 H THR 61 H THR 61 -9.884 2.193 1.564 416 HA THR 61 HA THR 61 -9.033 1.352 -1.002 417 HB THR 61 HB THR 61 -9.849 4.110 -0.064 418 HG1 THR 61 1HG THR 61 -11.670 2.983 0.093 419 HG21 THR 61 3HG2 THR 61 -10.101 3.208 -2.891 420 HG22 THR 61 1HG2 THR 61 -8.514 3.719 -2.316 421 HG23 THR 61 2HG2 THR 61 -9.881 4.832 -2.240 422 H ARG 62 H ARG 62 -7.844 3.966 1.116 423 HA ARG 62 HA ARG 62 -5.630 4.610 -0.528 424 HB2 ARG 62 1HB ARG 62 -6.522 5.297 2.225 425 HB3 ARG 62 2HB ARG 62 -4.827 5.560 1.838 426 HG2 ARG 62 1HG ARG 62 -5.750 6.803 -0.239 427 HG3 ARG 62 2HG ARG 62 -7.252 6.866 0.686 428 HD2 ARG 62 1HD ARG 62 -5.823 7.806 2.589 429 HD3 ARG 62 2HD ARG 62 -4.578 8.052 1.364 430 HE ARG 62 HE ARG 62 -6.687 9.266 0.250 431 HH11 ARG 62 1HH1 ARG 62 -5.342 9.448 3.457 432 HH12 ARG 62 2HH1 ARG 62 -5.838 11.089 3.712 433 HH21 ARG 62 1HH2 ARG 62 -7.345 11.425 0.575 434 HH22 ARG 62 2HH2 ARG 62 -6.978 12.212 2.073 435 H ILE 63 H ILE 63 -5.797 2.860 2.576 436 HA ILE 63 HA ILE 63 -3.254 2.164 3.046 437 HB ILE 63 HB ILE 63 -5.576 0.234 3.130 438 HG12 ILE 63 1HG1 ILE 63 -4.400 1.881 5.373 439 HG13 ILE 63 2HG1 ILE 63 -5.785 2.403 4.420 440 HG21 ILE 63 1HG2 ILE 63 -4.270 -1.024 4.745 441 HG22 ILE 63 2HG2 ILE 63 -3.403 -0.901 3.215 442 HG23 ILE 63 3HG2 ILE 63 -2.934 0.115 4.577 443 HD11 ILE 63 3HD1 ILE 63 -6.460 1.406 6.536 444 HD12 ILE 63 1HD1 ILE 63 -7.044 0.465 5.163 445 HD13 ILE 63 2HD1 ILE 63 -5.651 -0.096 6.088 446 H SER 64 H SER 64 -5.348 0.265 0.868 447 HA SER 64 HA SER 64 -3.518 -1.577 -0.024 448 HB2 SER 64 1HB SER 64 -5.950 -0.337 -1.216 449 HB3 SER 64 2HB SER 64 -4.904 -1.269 -2.287 450 HG SER 64 HG SER 64 -5.062 -2.925 -0.524 451 H GLN 65 H GLN 65 -4.161 1.631 -1.421 452 HA GLN 65 HA GLN 65 -2.455 1.612 -3.560 453 HB2 GLN 65 1HB GLN 65 -2.787 3.959 -1.687 454 HB3 GLN 65 2HB GLN 65 -2.353 4.018 -3.390 455 HG2 GLN 65 1HG GLN 65 -4.664 2.779 -3.662 456 HG3 GLN 65 2HG GLN 65 -4.992 3.557 -2.115 457 HE21 GLN 65 1HE2 GLN 65 -6.637 4.736 -3.236 458 HE22 GLN 65 2HE2 GLN 65 -6.223 6.128 -4.171 459 H ALA 66 H ALA 66 -1.608 2.582 -0.237 460 HA ALA 66 HA ALA 66 1.049 3.185 -0.578 461 HB1 ALA 66 3HB ALA 66 0.264 3.624 1.543 462 HB2 ALA 66 1HB ALA 66 -0.488 2.038 1.710 463 HB3 ALA 66 2HB ALA 66 1.265 2.200 1.826 464 H TYR 67 H TYR 67 -0.456 0.019 -0.392 465 HA TYR 67 HA TYR 67 2.118 -1.333 -0.405 466 HB2 TYR 67 1HB TYR 67 0.107 -2.147 0.912 467 HB3 TYR 67 2HB TYR 67 -0.613 -2.601 -0.628 468 HD1 TYR 67 1HD TYR 67 2.913 -2.926 0.537 469 HD2 TYR 67 2HD TYR 67 -0.657 -4.927 -0.625 470 HE1 TYR 67 1HE TYR 67 4.099 -5.079 0.624 471 HE2 TYR 67 2HE TYR 67 0.518 -7.086 -0.541 472 HH TYR 67 HH TYR 67 2.534 -8.041 0.622 473 H VAL 68 H VAL 68 1.111 0.349 -2.682 474 HA VAL 68 HA VAL 68 1.341 -1.706 -4.784 475 HB VAL 68 HB VAL 68 -0.255 0.857 -4.890 476 HG11 VAL 68 1HG1 VAL 68 -0.829 0.294 -7.146 477 HG12 VAL 68 2HG1 VAL 68 0.930 0.305 -7.013 478 HG13 VAL 68 3HG1 VAL 68 0.057 -1.227 -7.044 479 HG21 VAL 68 3HG2 VAL 68 -1.136 -1.262 -3.682 480 HG22 VAL 68 1HG2 VAL 68 -2.182 -0.429 -4.833 481 HG23 VAL 68 2HG2 VAL 68 -1.337 -1.901 -5.314 482 H VAL 69 H VAL 69 1.625 1.834 -4.401 483 HA VAL 69 HA VAL 69 3.493 2.185 -6.466 484 HB VAL 69 HB VAL 69 3.145 3.922 -4.018 485 HG11 VAL 69 1HG1 VAL 69 5.184 4.262 -5.484 486 HG12 VAL 69 2HG1 VAL 69 4.066 4.750 -6.759 487 HG13 VAL 69 3HG1 VAL 69 4.143 5.667 -5.254 488 HG21 VAL 69 3HG2 VAL 69 1.478 3.506 -6.412 489 HG22 VAL 69 1HG2 VAL 69 1.039 4.094 -4.808 490 HG23 VAL 69 2HG2 VAL 69 1.782 5.187 -5.975 491 H LEU 70 H LEU 70 3.877 1.352 -3.091 492 HA LEU 70 HA LEU 70 6.792 1.530 -3.328 493 HB2 LEU 70 1HB LEU 70 5.344 0.769 -0.825 494 HB3 LEU 70 2HB LEU 70 6.913 1.550 -1.010 495 HG LEU 70 HG LEU 70 4.340 2.939 -1.713 496 HD11 LEU 70 1HD1 LEU 70 5.077 2.095 0.855 497 HD12 LEU 70 2HD1 LEU 70 3.830 3.263 0.420 498 HD13 LEU 70 3HD1 LEU 70 5.467 3.813 0.775 499 HD21 LEU 70 3HD2 LEU 70 7.193 3.749 -1.291 500 HD22 LEU 70 1HD2 LEU 70 5.883 4.911 -1.084 501 HD23 LEU 70 2HD2 LEU 70 6.115 4.115 -2.640 502 H GLY 71 H GLY 71 4.223 -0.726 -3.366 503 HA2 GLY 71 1HA GLY 71 5.227 -3.035 -2.295 504 HA3 GLY 71 2HA GLY 71 4.248 -2.996 -3.755 505 H SER 72 H SER 72 6.321 -1.411 -5.178 506 HA SER 72 HA SER 72 8.315 -3.547 -5.556 507 HB2 SER 72 1HB SER 72 6.796 -1.951 -7.613 508 HB3 SER 72 2HB SER 72 8.317 -2.753 -8.003 509 HG SER 72 HG SER 72 6.071 -4.070 -6.878 510 H ALA 73 H ALA 73 10.413 -2.915 -6.121 511 HA ALA 73 HA ALA 73 11.310 -0.496 -4.972 512 HB1 ALA 73 3HB ALA 73 12.479 -2.876 -5.943 513 HB2 ALA 73 1HB ALA 73 13.272 -1.531 -6.764 514 HB3 ALA 73 2HB ALA 73 13.237 -1.592 -5.001 515 H THR 74 H THR 74 11.002 -1.538 -8.356 516 HA THR 74 HA THR 74 12.069 0.649 -9.643 517 HB THR 74 HB THR 74 9.647 -0.947 -10.501 518 HG1 THR 74 1HG THR 74 12.434 -1.330 -10.712 519 HG21 THR 74 3HG2 THR 74 10.707 -0.243 -12.809 520 HG22 THR 74 1HG2 THR 74 11.316 1.115 -11.864 521 HG23 THR 74 2HG2 THR 74 9.580 0.822 -11.968 522 H LEU 75 H LEU 75 8.560 0.202 -9.161 523 HA LEU 75 HA LEU 75 7.565 2.570 -9.904 524 HB2 LEU 75 1HB LEU 75 6.831 1.271 -7.286 525 HB3 LEU 75 2HB LEU 75 5.820 2.348 -8.249 526 HG LEU 75 HG LEU 75 6.688 -0.441 -9.010 527 HD11 LEU 75 1HD1 LEU 75 3.859 0.389 -8.640 528 HD12 LEU 75 2HD1 LEU 75 4.838 0.078 -7.207 529 HD13 LEU 75 3HD1 LEU 75 4.617 -1.188 -8.414 530 HD21 LEU 75 3HD2 LEU 75 6.392 0.319 -11.097 531 HD22 LEU 75 1HD2 LEU 75 5.571 1.782 -10.553 532 HD23 LEU 75 2HD2 LEU 75 4.673 0.272 -10.703 533 H ARG 76 H ARG 76 8.774 2.024 -6.590 534 HA ARG 76 HA ARG 76 8.520 4.489 -5.502 535 HB2 ARG 76 1HB ARG 76 10.625 2.389 -5.232 536 HB3 ARG 76 2HB ARG 76 10.892 3.946 -4.458 537 HG2 ARG 76 1HG ARG 76 8.579 3.615 -3.416 538 HG3 ARG 76 2HG ARG 76 8.740 1.933 -3.924 539 HD2 ARG 76 1HD ARG 76 10.924 3.262 -2.370 540 HD3 ARG 76 2HD ARG 76 9.500 2.632 -1.542 541 HE ARG 76 HE ARG 76 10.707 0.727 -3.312 542 HH11 ARG 76 1HH1 ARG 76 10.827 2.119 -0.122 543 HH12 ARG 76 2HH1 ARG 76 11.590 0.737 0.593 544 HH21 ARG 76 1HH2 ARG 76 11.711 -1.097 -2.381 545 HH22 ARG 76 2HH2 ARG 76 12.093 -1.091 -0.692 546 H ARG 77 H ARG 77 11.150 3.459 -7.653 547 HA ARG 77 HA ARG 77 12.491 5.972 -7.604 548 HB2 ARG 77 1HB ARG 77 12.708 3.466 -9.213 549 HB3 ARG 77 2HB ARG 77 13.481 4.923 -9.824 550 HG2 ARG 77 1HG ARG 77 15.173 3.902 -8.632 551 HG3 ARG 77 2HG ARG 77 14.537 5.073 -7.475 552 HD2 ARG 77 1HD ARG 77 14.676 3.175 -6.178 553 HD3 ARG 77 2HD ARG 77 13.007 3.096 -6.740 554 HE ARG 77 HE ARG 77 13.537 1.233 -7.980 555 HH11 ARG 77 1HH1 ARG 77 16.451 2.740 -6.815 556 HH12 ARG 77 2HH1 ARG 77 17.475 1.423 -7.283 557 HH21 ARG 77 1HH2 ARG 77 14.875 -0.508 -8.601 558 HH22 ARG 77 2HH2 ARG 77 16.577 -0.423 -8.299 559 H LYS 78 H LYS 78 10.036 4.523 -9.653 560 HA LYS 78 HA LYS 78 10.105 6.256 -11.824 561 HB2 LYS 78 1HB LYS 78 7.701 4.937 -10.551 562 HB3 LYS 78 2HB LYS 78 7.725 5.658 -12.155 563 HG2 LYS 78 1HG LYS 78 9.507 4.032 -12.781 564 HG3 LYS 78 2HG LYS 78 9.265 3.250 -11.217 565 HD2 LYS 78 1HD LYS 78 7.894 1.984 -12.565 566 HD3 LYS 78 2HD LYS 78 6.758 3.196 -11.969 567 HE2 LYS 78 1HE LYS 78 7.169 4.515 -14.030 568 HE3 LYS 78 2HE LYS 78 8.185 3.203 -14.626 569 HZ1 LYS 78 3HZ LYS 78 6.311 1.739 -14.633 570 HZ2 LYS 78 1HZ LYS 78 5.884 3.141 -15.478 571 HZ3 LYS 78 2HZ LYS 78 5.322 2.900 -13.901 572 H TYR 79 H TYR 79 7.870 6.476 -9.048 573 HA TYR 79 HA TYR 79 6.764 8.932 -9.610 574 HB2 TYR 79 1HB TYR 79 6.249 7.245 -7.703 575 HB3 TYR 79 2HB TYR 79 7.425 8.174 -6.779 576 HD1 TYR 79 1HD TYR 79 4.742 9.196 -9.174 577 HD2 TYR 79 2HD TYR 79 6.303 9.463 -5.225 578 HE1 TYR 79 1HE TYR 79 2.994 10.827 -8.599 579 HE2 TYR 79 2HE TYR 79 4.558 11.094 -4.639 580 HH TYR 79 HH TYR 79 2.659 12.078 -5.306 581 H ASP 80 H ASP 80 9.639 8.292 -7.612 582 HA ASP 80 HA ASP 80 10.343 10.747 -6.748 583 HB2 ASP 80 1HB ASP 80 11.935 8.423 -7.708 584 HB3 ASP 80 2HB ASP 80 12.793 9.941 -7.456 585 H ARG 81 H ARG 81 10.825 9.527 -10.036 586 HA ARG 81 HA ARG 81 11.829 12.142 -10.877 587 HB2 ARG 81 1HB ARG 81 11.514 9.808 -12.726 588 HB3 ARG 81 2HB ARG 81 12.694 11.110 -12.771 589 HG2 ARG 81 1HG ARG 81 12.634 8.794 -10.850 590 HG3 ARG 81 2HG ARG 81 13.786 9.063 -12.160 591 HD2 ARG 81 1HD ARG 81 13.419 10.894 -9.793 592 HD3 ARG 81 2HD ARG 81 14.669 9.657 -9.917 593 HE ARG 81 HE ARG 81 14.792 11.352 -12.162 594 HH11 ARG 81 1HH1 ARG 81 15.445 11.340 -8.743 595 HH12 ARG 81 2HH1 ARG 81 16.695 12.536 -8.845 596 HH21 ARG 81 1HH2 ARG 81 16.435 12.928 -12.309 597 HH22 ARG 81 2HH2 ARG 81 17.256 13.439 -10.874 598 H GLY 82 H GLY 82 8.941 10.384 -10.755 599 HA2 GLY 82 1HA GLY 82 6.837 11.297 -11.306 600 HA3 GLY 82 2HA GLY 82 7.633 12.398 -12.421 601 H LEU 83 H LEU 83 8.732 9.211 -12.714 602 HA LEU 83 HA LEU 83 7.636 8.967 -15.340 603 HB2 LEU 83 1HB LEU 83 9.033 6.860 -13.703 604 HB3 LEU 83 2HB LEU 83 8.820 6.875 -15.452 605 HG LEU 83 HG LEU 83 10.327 9.111 -14.188 606 HD11 LEU 83 1HD1 LEU 83 12.278 7.283 -14.850 607 HD12 LEU 83 2HD1 LEU 83 11.078 6.310 -14.001 608 HD13 LEU 83 3HD1 LEU 83 11.778 7.727 -13.218 609 HD21 LEU 83 3HD2 LEU 83 11.515 9.079 -16.279 610 HD22 LEU 83 1HD2 LEU 83 9.782 9.053 -16.606 611 HD23 LEU 83 2HD2 LEU 83 10.728 7.571 -16.750 612 H LEU 84 H LEU 84 6.351 8.384 -12.329 613 HA LEU 84 HA LEU 84 4.759 6.076 -13.094 614 HB2 LEU 84 1HB LEU 84 5.668 6.319 -10.804 615 HB3 LEU 84 2HB LEU 84 4.655 7.745 -10.584 616 HG LEU 84 HG LEU 84 2.740 6.005 -11.192 617 HD11 LEU 84 1HD1 LEU 84 3.494 3.920 -11.353 618 HD12 LEU 84 2HD1 LEU 84 3.776 3.982 -9.614 619 HD13 LEU 84 3HD1 LEU 84 5.084 4.367 -10.733 620 HD21 LEU 84 3HD2 LEU 84 2.400 7.049 -9.203 621 HD22 LEU 84 1HD2 LEU 84 4.048 6.765 -8.644 622 HD23 LEU 84 2HD2 LEU 84 2.862 5.461 -8.588 623 H SER 85 H SER 85 2.867 6.235 -14.083 624 HA SER 85 HA SER 85 1.412 8.793 -13.929 625 HB2 SER 85 1HB SER 85 0.419 8.150 -16.129 626 HB3 SER 85 2HB SER 85 2.169 8.360 -16.191 627 HG SER 85 HG SER 85 2.368 6.087 -16.054 628 H ASP 86 H ASP 86 -0.975 8.587 -14.211 629 HA ASP 86 HA ASP 86 -2.177 7.186 -12.210 630 HB2 ASP 86 1HB ASP 86 -3.281 8.087 -14.866 631 HB3 ASP 86 2HB ASP 86 -4.300 7.347 -13.634 632 H GLU 87 H GLU 87 -1.901 6.122 -15.595 633 HA GLU 87 HA GLU 87 -3.259 3.793 -15.621 634 HB2 GLU 87 1HB GLU 87 -1.755 4.810 -17.436 635 HB3 GLU 87 2HB GLU 87 -0.450 3.890 -16.700 636 HG2 GLU 87 1HG GLU 87 -1.895 1.841 -17.016 637 HG3 GLU 87 2HG GLU 87 -2.935 2.848 -18.021 638 H ASP 88 H ASP 88 -0.032 4.246 -14.231 639 HA ASP 88 HA ASP 88 0.219 1.511 -13.414 640 HB2 ASP 88 1HB ASP 88 1.781 3.955 -12.551 641 HB3 ASP 88 2HB ASP 88 2.230 2.284 -12.219 642 H LEU 89 H LEU 89 -0.520 4.561 -11.757 643 HA LEU 89 HA LEU 89 -0.619 3.798 -9.149 644 HB2 LEU 89 1HB LEU 89 -2.198 5.709 -10.777 645 HB3 LEU 89 2HB LEU 89 -2.793 5.337 -9.160 646 HG LEU 89 HG LEU 89 0.053 6.160 -9.474 647 HD11 LEU 89 1HD1 LEU 89 -0.688 7.954 -10.661 648 HD12 LEU 89 2HD1 LEU 89 -1.003 8.548 -9.031 649 HD13 LEU 89 3HD1 LEU 89 -2.317 7.869 -9.991 650 HD21 LEU 89 3HD2 LEU 89 -0.246 5.838 -7.269 651 HD22 LEU 89 1HD2 LEU 89 -1.999 6.001 -7.376 652 HD23 LEU 89 2HD2 LEU 89 -0.981 7.441 -7.322 653 H ARG 90 H ARG 90 -3.235 3.376 -11.522 654 HA ARG 90 HA ARG 90 -4.943 2.002 -9.694 655 HB2 ARG 90 1HB ARG 90 -6.298 1.495 -11.700 656 HB3 ARG 90 2HB ARG 90 -5.893 3.202 -11.573 657 HG2 ARG 90 1HG ARG 90 -3.936 2.638 -13.143 658 HG3 ARG 90 2HG ARG 90 -4.830 1.153 -13.476 659 HD2 ARG 90 1HD ARG 90 -6.031 3.903 -13.723 660 HD3 ARG 90 2HD ARG 90 -5.252 3.064 -15.063 661 HE ARG 90 HE ARG 90 -7.265 1.462 -13.843 662 HH11 ARG 90 1HH1 ARG 90 -6.757 4.106 -16.050 663 HH12 ARG 90 2HH1 ARG 90 -8.225 3.827 -16.928 664 HH21 ARG 90 1HH2 ARG 90 -9.200 1.084 -14.990 665 HH22 ARG 90 2HH2 ARG 90 -9.614 2.108 -16.323 666 H GLY 91 H GLY 91 -2.555 1.030 -12.081 667 HA2 GLY 91 1HA GLY 91 -2.088 -1.470 -10.893 668 HA3 GLY 91 2HA GLY 91 -3.197 -1.701 -12.236 669 HA PRO 92 HA PRO 92 1.418 -1.151 -13.524 670 HB2 PRO 92 1HB PRO 92 2.340 -3.697 -13.336 671 HB3 PRO 92 2HB PRO 92 2.486 -2.523 -12.022 672 HG2 PRO 92 1HG PRO 92 0.477 -4.711 -12.393 673 HG3 PRO 92 2HG PRO 92 1.339 -4.222 -10.923 674 HD2 PRO 92 1HD PRO 92 -1.218 -3.486 -11.426 675 HD3 PRO 92 2HD PRO 92 -0.088 -2.456 -10.524 676 H GLY 93 H GLY 93 -0.952 -3.702 -14.054 677 HA2 GLY 93 1HA GLY 93 -1.087 -3.281 -16.829 678 HA3 GLY 93 2HA GLY 93 -0.020 -4.645 -16.529 679 H SER 94 H SER 94 -3.201 -3.450 -15.444 680 HA SER 94 HA SER 94 -4.134 -6.215 -15.270 681 HB2 SER 94 1HB SER 94 -6.182 -5.119 -14.236 682 HB3 SER 94 2HB SER 94 -4.679 -4.937 -13.332 683 HG SER 94 HG SER 94 -5.491 -2.986 -15.196 684 H GLY 95 H GLY 95 -6.386 -6.657 -16.057 685 HA2 GLY 95 1HA GLY 95 -7.338 -5.021 -18.247 686 HA3 GLY 95 2HA GLY 95 -6.653 -6.563 -18.739 687 HA PRO 96 HA PRO 96 -10.663 -7.372 -16.099 688 HB2 PRO 96 1HB PRO 96 -12.414 -5.298 -16.076 689 HB3 PRO 96 2HB PRO 96 -11.180 -5.527 -14.831 690 HG2 PRO 96 1HG PRO 96 -11.151 -3.718 -17.216 691 HG3 PRO 96 2HG PRO 96 -10.635 -3.385 -15.553 692 HD2 PRO 96 1HD PRO 96 -8.883 -3.971 -17.533 693 HD3 PRO 96 2HD PRO 96 -8.601 -4.431 -15.842 694 H SER 97 H SER 97 -12.960 -7.684 -16.807 695 HA SER 97 HA SER 97 -13.137 -7.507 -19.742 696 HB2 SER 97 1HB SER 97 -13.013 -9.809 -18.598 697 HB3 SER 97 2HB SER 97 -14.657 -9.483 -18.048 698 HG SER 97 HG SER 97 -13.820 -9.424 -20.760 699 H SER 98 H SER 98 -15.359 -7.382 -20.620 700 HA SER 98 HA SER 98 -16.974 -5.557 -18.980 701 HB2 SER 98 1HB SER 98 -17.949 -4.787 -21.098 702 HB3 SER 98 2HB SER 98 -16.191 -4.664 -21.138 703 HG SER 98 HG SER 98 -17.332 -5.652 -23.021 704 H GLY 99 H GLY 99 -18.908 -6.161 -18.249 705 HA2 GLY 99 1HA GLY 99 -20.076 -8.639 -19.353 706 HA3 GLY 99 2HA GLY 99 -20.245 -8.126 -17.681 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 24.298 1.013 -1.658 2 HA2 GLY 1 1HA GLY 1 22.761 2.944 -1.889 3 HA3 GLY 1 2HA GLY 1 23.488 2.898 -0.289 4 H SER 2 H SER 2 23.255 4.594 -3.274 5 HA SER 2 HA SER 2 25.419 6.422 -2.643 6 HB2 SER 2 1HB SER 2 24.874 7.494 -4.766 7 HB3 SER 2 2HB SER 2 24.978 5.747 -4.989 8 HG SER 2 HG SER 2 22.787 7.437 -5.159 9 H SER 3 H SER 3 23.492 6.391 -0.652 10 HA SER 3 HA SER 3 22.671 9.170 -0.682 11 HB2 SER 3 1HB SER 3 20.341 8.756 -0.191 12 HB3 SER 3 2HB SER 3 20.748 7.920 -1.690 13 HG SER 3 HG SER 3 19.519 6.740 0.035 14 H GLY 4 H GLY 4 21.431 9.600 1.516 15 HA2 GLY 4 1HA GLY 4 21.350 8.497 3.826 16 HA3 GLY 4 2HA GLY 4 23.085 8.329 3.599 17 H SER 5 H SER 5 20.475 10.511 4.296 18 HA SER 5 HA SER 5 22.345 12.387 5.463 19 HB2 SER 5 1HB SER 5 20.597 13.110 3.112 20 HB3 SER 5 2HB SER 5 21.215 14.323 4.233 21 HG SER 5 HG SER 5 23.000 12.488 3.091 22 H SER 6 H SER 6 21.190 14.152 6.636 23 HA SER 6 HA SER 6 18.951 13.019 8.063 24 HB2 SER 6 1HB SER 6 19.195 14.940 9.558 25 HB3 SER 6 2HB SER 6 20.765 14.194 9.263 26 HG SER 6 HG SER 6 19.991 16.251 7.554 27 H GLY 7 H GLY 7 17.221 14.797 8.740 28 HA2 GLY 7 1HA GLY 7 16.425 16.782 6.951 29 HA3 GLY 7 2HA GLY 7 15.675 15.284 6.422 30 H SER 8 H SER 8 14.274 17.584 7.309 31 HA SER 8 HA SER 8 12.752 16.370 9.474 32 HB2 SER 8 1HB SER 8 12.681 18.507 10.748 33 HB3 SER 8 2HB SER 8 14.296 17.801 10.689 34 HG SER 8 HG SER 8 13.554 19.657 8.726 35 H GLN 9 H GLN 9 10.682 17.588 9.858 36 HA GLN 9 HA GLN 9 9.305 17.921 7.431 37 HB2 GLN 9 1HB GLN 9 7.437 18.740 8.851 38 HB3 GLN 9 2HB GLN 9 8.127 17.224 9.416 39 HG2 GLN 9 1HG GLN 9 9.234 18.282 11.209 40 HG3 GLN 9 2HG GLN 9 8.934 19.886 10.542 41 HE21 GLN 9 1HE2 GLN 9 6.979 20.863 10.870 42 HE22 GLN 9 2HE2 GLN 9 5.770 20.234 11.931 43 H GLY 10 H GLY 10 7.953 19.934 6.962 44 HA2 GLY 10 1HA GLY 10 8.881 22.487 7.765 45 HA3 GLY 10 2HA GLY 10 9.629 22.037 6.240 46 H ASP 11 H ASP 11 8.554 22.456 4.419 47 HA ASP 11 HA ASP 11 5.671 23.037 4.625 48 HB2 ASP 11 1HB ASP 11 7.423 24.972 4.183 49 HB3 ASP 11 2HB ASP 11 7.340 24.363 2.532 50 H CYS 12 H CYS 12 4.348 22.128 3.141 51 HA CYS 12 HA CYS 12 5.545 20.774 0.833 52 HB2 CYS 12 1HB CYS 12 3.896 19.531 3.005 53 HB3 CYS 12 2HB CYS 12 3.786 18.902 1.365 54 HG CYS 12 HG CYS 12 5.609 17.547 3.291 55 H SER 13 H SER 13 4.160 20.497 -0.943 56 HA SER 13 HA SER 13 1.810 22.257 -0.881 57 HB2 SER 13 1HB SER 13 3.802 22.531 -2.550 58 HB3 SER 13 2HB SER 13 3.033 21.196 -3.410 59 HG SER 13 HG SER 13 1.928 22.788 -4.260 60 H TYR 14 H TYR 14 2.879 19.130 -2.202 61 HA TYR 14 HA TYR 14 0.054 18.296 -2.278 62 HB2 TYR 14 1HB TYR 14 0.800 16.612 -3.969 63 HB3 TYR 14 2HB TYR 14 0.991 18.280 -4.496 64 HD1 TYR 14 2HD TYR 14 2.893 15.466 -2.963 65 HD2 TYR 14 1HD TYR 14 3.044 19.005 -5.320 66 HE1 TYR 14 2HE TYR 14 5.265 15.033 -3.451 67 HE2 TYR 14 1HE TYR 14 5.415 18.582 -5.816 68 HH TYR 14 HH TYR 14 7.245 17.368 -5.164 69 H SER 15 H SER 15 -0.517 16.274 -1.476 70 HA SER 15 HA SER 15 1.114 15.327 0.686 71 HB2 SER 15 1HB SER 15 -1.460 14.176 -0.418 72 HB3 SER 15 2HB SER 15 -0.731 13.792 1.142 73 HG SER 15 HG SER 15 -2.174 16.018 0.353 74 H ARG 16 H ARG 16 2.834 14.098 0.298 75 HA ARG 16 HA ARG 16 2.561 11.897 -1.642 76 HB2 ARG 16 1HB ARG 16 4.762 12.200 -2.399 77 HB3 ARG 16 2HB ARG 16 4.114 13.831 -2.291 78 HG2 ARG 16 1HG ARG 16 6.122 14.167 -1.294 79 HG3 ARG 16 2HG ARG 16 5.179 13.707 0.125 80 HD2 ARG 16 1HD ARG 16 6.972 12.322 0.396 81 HD3 ARG 16 2HD ARG 16 5.946 11.283 -0.593 82 HE ARG 16 HE ARG 16 7.479 11.443 -2.284 83 HH11 ARG 16 1HH1 ARG 16 8.088 13.958 0.045 84 HH12 ARG 16 2HH1 ARG 16 9.574 14.460 -0.691 85 HH21 ARG 16 1HH2 ARG 16 9.433 12.095 -3.262 86 HH22 ARG 16 2HH2 ARG 16 10.338 13.400 -2.573 87 H THR 17 H THR 17 3.401 12.898 1.525 88 HA THR 17 HA THR 17 4.827 10.449 2.168 89 HB THR 17 HB THR 17 4.720 11.473 4.543 90 HG1 THR 17 1HG THR 17 4.227 13.855 3.080 91 HG21 THR 17 3HG2 THR 17 6.624 11.515 2.748 92 HG22 THR 17 1HG2 THR 17 6.734 12.545 4.175 93 HG23 THR 17 2HG2 THR 17 6.211 13.226 2.634 94 H ALA 18 H ALA 18 1.973 10.412 1.346 95 HA ALA 18 HA ALA 18 0.563 9.634 3.765 96 HB1 ALA 18 3HB ALA 18 -0.784 9.073 1.247 97 HB2 ALA 18 1HB ALA 18 -1.307 10.048 2.620 98 HB3 ALA 18 2HB ALA 18 -0.256 10.749 1.389 99 H LEU 19 H LEU 19 1.312 8.091 0.634 100 HA LEU 19 HA LEU 19 0.501 5.519 1.273 101 HB2 LEU 19 1HB LEU 19 2.892 6.126 -0.443 102 HB3 LEU 19 2HB LEU 19 1.775 4.769 -0.574 103 HG LEU 19 HG LEU 19 1.228 7.650 -1.277 104 HD11 LEU 19 1HD1 LEU 19 0.647 5.869 -3.374 105 HD12 LEU 19 2HD1 LEU 19 2.228 5.409 -2.744 106 HD13 LEU 19 3HD1 LEU 19 1.944 7.061 -3.289 107 HD21 LEU 19 3HD2 LEU 19 -0.643 5.287 -1.405 108 HD22 LEU 19 1HD2 LEU 19 -0.991 6.936 -1.926 109 HD23 LEU 19 2HD2 LEU 19 -0.727 6.588 -0.217 110 H TYR 20 H TYR 20 3.141 7.286 2.493 111 HA TYR 20 HA TYR 20 4.573 4.882 3.345 112 HB2 TYR 20 1HB TYR 20 5.344 7.778 3.744 113 HB3 TYR 20 2HB TYR 20 6.367 6.370 4.004 114 HD1 TYR 20 2HD TYR 20 4.429 8.093 1.321 115 HD2 TYR 20 1HD TYR 20 7.778 5.660 2.303 116 HE1 TYR 20 2HE TYR 20 5.210 8.239 -1.006 117 HE2 TYR 20 1HE TYR 20 8.569 5.800 -0.021 118 HH TYR 20 HH TYR 20 8.007 6.404 -2.125 119 H ASP 21 H ASP 21 2.476 7.354 4.533 120 HA ASP 21 HA ASP 21 3.091 6.864 7.318 121 HB2 ASP 21 1HB ASP 21 2.414 9.115 6.484 122 HB3 ASP 21 2HB ASP 21 0.818 8.463 6.123 123 H LEU 22 H LEU 22 0.482 6.134 5.045 124 HA LEU 22 HA LEU 22 -1.382 5.028 6.751 125 HB2 LEU 22 1HB LEU 22 -0.634 4.501 3.911 126 HB3 LEU 22 2HB LEU 22 -1.817 3.460 4.700 127 HG LEU 22 HG LEU 22 -2.937 5.798 5.271 128 HD11 LEU 22 1HD1 LEU 22 -2.695 7.165 3.094 129 HD12 LEU 22 2HD1 LEU 22 -1.152 6.328 2.928 130 HD13 LEU 22 3HD1 LEU 22 -1.463 7.329 4.346 131 HD21 LEU 22 3HD2 LEU 22 -4.446 5.411 3.505 132 HD22 LEU 22 1HD2 LEU 22 -3.810 3.824 3.937 133 HD23 LEU 22 2HD2 LEU 22 -3.207 4.654 2.503 134 H LEU 23 H LEU 23 1.618 3.665 5.581 135 HA LEU 23 HA LEU 23 1.018 1.104 6.869 136 HB2 LEU 23 1HB LEU 23 2.941 2.015 4.796 137 HB3 LEU 23 2HB LEU 23 3.407 0.652 5.811 138 HG LEU 23 HG LEU 23 1.403 -0.565 5.071 139 HD11 LEU 23 1HD1 LEU 23 0.485 0.622 2.833 140 HD12 LEU 23 2HD1 LEU 23 0.813 2.038 3.830 141 HD13 LEU 23 3HD1 LEU 23 -0.277 0.782 4.416 142 HD21 LEU 23 3HD2 LEU 23 3.530 -0.847 3.890 143 HD22 LEU 23 1HD2 LEU 23 3.098 0.472 2.802 144 HD23 LEU 23 2HD2 LEU 23 2.152 -1.017 2.800 145 H GLY 24 H GLY 24 3.233 3.835 7.012 146 HA2 GLY 24 1HA GLY 24 4.164 4.588 9.070 147 HA3 GLY 24 2HA GLY 24 4.029 2.951 9.695 148 H VAL 25 H VAL 25 5.246 3.057 6.538 149 HA VAL 25 HA VAL 25 7.913 2.396 7.532 150 HB VAL 25 HB VAL 25 8.357 1.624 5.223 151 HG11 VAL 25 1HG1 VAL 25 5.907 0.515 6.583 152 HG12 VAL 25 2HG1 VAL 25 6.762 -0.296 5.270 153 HG13 VAL 25 3HG1 VAL 25 7.580 0.004 6.803 154 HG21 VAL 25 3HG2 VAL 25 6.203 3.240 4.563 155 HG22 VAL 25 1HG2 VAL 25 7.042 2.117 3.493 156 HG23 VAL 25 2HG2 VAL 25 5.592 1.599 4.353 157 HA PRO 26 HA PRO 26 9.774 6.180 6.301 158 HB2 PRO 26 1HB PRO 26 12.262 5.322 5.635 159 HB3 PRO 26 2HB PRO 26 11.693 5.414 7.306 160 HG2 PRO 26 1HG PRO 26 11.855 3.042 5.488 161 HG3 PRO 26 2HG PRO 26 12.287 3.168 7.203 162 HD2 PRO 26 1HD PRO 26 9.950 2.086 6.364 163 HD3 PRO 26 2HD PRO 26 10.098 2.968 7.898 164 H SER 27 H SER 27 11.201 7.097 4.466 165 HA SER 27 HA SER 27 9.877 6.474 1.980 166 HB2 SER 27 1HB SER 27 10.705 8.500 1.184 167 HB3 SER 27 2HB SER 27 10.573 8.816 2.914 168 HG SER 27 HG SER 27 12.738 8.638 3.125 169 H THR 28 H THR 28 12.703 5.477 3.543 170 HA THR 28 HA THR 28 13.838 4.509 0.999 171 HB THR 28 HB THR 28 15.385 6.062 2.006 172 HG1 THR 28 1HG THR 28 17.127 4.727 1.967 173 HG21 THR 28 3HG2 THR 28 16.373 5.403 4.287 174 HG22 THR 28 1HG2 THR 28 14.911 4.439 4.489 175 HG23 THR 28 2HG2 THR 28 14.793 6.185 4.269 176 H ALA 29 H ALA 29 11.803 3.261 2.754 177 HA ALA 29 HA ALA 29 12.976 1.148 4.229 178 HB1 ALA 29 3HB ALA 29 10.275 0.821 3.030 179 HB2 ALA 29 1HB ALA 29 10.844 0.449 4.657 180 HB3 ALA 29 2HB ALA 29 10.526 2.121 4.195 181 H THR 30 H THR 30 11.992 -1.198 3.507 182 HA THR 30 HA THR 30 12.806 -1.660 0.720 183 HB THR 30 HB THR 30 14.757 -2.386 1.710 184 HG1 THR 30 1HG THR 30 13.313 -4.776 2.142 185 HG21 THR 30 3HG2 THR 30 13.137 -3.457 4.024 186 HG22 THR 30 1HG2 THR 30 14.085 -1.970 4.024 187 HG23 THR 30 2HG2 THR 30 14.893 -3.530 3.876 188 H GLN 31 H GLN 31 12.264 -3.989 0.064 189 HA GLN 31 HA GLN 31 9.575 -4.409 0.033 190 HB2 GLN 31 1HB GLN 31 11.193 -5.615 -1.387 191 HB3 GLN 31 2HB GLN 31 11.682 -6.576 0.002 192 HG2 GLN 31 1HG GLN 31 10.158 -7.804 -1.437 193 HG3 GLN 31 2HG GLN 31 9.454 -7.526 0.155 194 HE21 GLN 31 1HE2 GLN 31 9.546 -6.201 -3.122 195 HE22 GLN 31 2HE2 GLN 31 7.916 -5.629 -3.126 196 H ALA 32 H ALA 32 11.850 -6.046 2.236 197 HA ALA 32 HA ALA 32 10.180 -7.599 3.704 198 HB1 ALA 32 3HB ALA 32 12.737 -6.333 4.156 199 HB2 ALA 32 1HB ALA 32 11.810 -6.467 5.650 200 HB3 ALA 32 2HB ALA 32 12.149 -7.908 4.690 201 H GLN 33 H GLN 33 10.863 -4.170 4.410 202 HA GLN 33 HA GLN 33 8.966 -3.989 6.510 203 HB2 GLN 33 1HB GLN 33 10.327 -1.883 4.831 204 HB3 GLN 33 2HB GLN 33 9.258 -1.501 6.174 205 HG2 GLN 33 1HG GLN 33 10.726 -2.548 7.735 206 HG3 GLN 33 2HG GLN 33 11.730 -3.192 6.437 207 HE21 GLN 33 1HE2 GLN 33 10.347 0.032 6.862 208 HE22 GLN 33 2HE2 GLN 33 11.857 0.871 6.880 209 H ILE 34 H ILE 34 8.869 -2.303 3.370 210 HA ILE 34 HA ILE 34 6.354 -1.388 3.297 211 HB ILE 34 HB ILE 34 7.809 -2.780 1.053 212 HG12 ILE 34 1HG1 ILE 34 7.337 0.157 1.600 213 HG13 ILE 34 2HG1 ILE 34 8.812 -0.707 2.017 214 HG21 ILE 34 1HG2 ILE 34 6.113 -1.216 -0.271 215 HG22 ILE 34 2HG2 ILE 34 5.728 -2.884 0.150 216 HG23 ILE 34 3HG2 ILE 34 5.111 -1.560 1.139 217 HD11 ILE 34 3HD1 ILE 34 8.106 -1.076 -0.760 218 HD12 ILE 34 1HD1 ILE 34 8.284 0.628 -0.341 219 HD13 ILE 34 2HD1 ILE 34 9.608 -0.497 -0.040 220 H LYS 35 H LYS 35 7.268 -4.751 3.112 221 HA LYS 35 HA LYS 35 4.587 -5.625 2.440 222 HB2 LYS 35 1HB LYS 35 6.765 -6.756 1.696 223 HB3 LYS 35 2HB LYS 35 6.865 -7.382 3.337 224 HG2 LYS 35 1HG LYS 35 4.394 -8.164 2.796 225 HG3 LYS 35 2HG LYS 35 5.003 -8.090 1.141 226 HD2 LYS 35 1HD LYS 35 6.917 -9.522 1.859 227 HD3 LYS 35 2HD LYS 35 6.135 -9.694 3.432 228 HE2 LYS 35 1HE LYS 35 4.189 -10.702 2.360 229 HE3 LYS 35 2HE LYS 35 4.943 -10.502 0.780 230 HZ1 LYS 35 3HZ LYS 35 6.361 -12.005 2.868 231 HZ2 LYS 35 1HZ LYS 35 6.449 -12.162 1.186 232 HZ3 LYS 35 2HZ LYS 35 5.105 -12.758 2.021 233 H ALA 36 H ALA 36 6.811 -6.139 5.183 234 HA ALA 36 HA ALA 36 5.125 -7.453 6.904 235 HB1 ALA 36 3HB ALA 36 7.602 -6.052 7.107 236 HB2 ALA 36 1HB ALA 36 6.592 -5.642 8.494 237 HB3 ALA 36 2HB ALA 36 6.962 -7.330 8.140 238 H ALA 37 H ALA 37 5.293 -3.996 6.244 239 HA ALA 37 HA ALA 37 3.572 -3.150 8.317 240 HB1 ALA 37 3HB ALA 37 4.544 -1.943 5.770 241 HB2 ALA 37 1HB ALA 37 3.227 -1.166 6.648 242 HB3 ALA 37 2HB ALA 37 4.787 -1.411 7.434 243 H TYR 38 H TYR 38 2.864 -3.343 4.822 244 HA TYR 38 HA TYR 38 0.208 -2.901 4.782 245 HB2 TYR 38 1HB TYR 38 1.318 -3.344 2.724 246 HB3 TYR 38 2HB TYR 38 1.782 -4.961 3.239 247 HD1 TYR 38 1HD TYR 38 -1.087 -2.863 2.210 248 HD2 TYR 38 2HD TYR 38 0.337 -6.811 2.910 249 HE1 TYR 38 1HE TYR 38 -3.108 -3.774 1.144 250 HE2 TYR 38 2HE TYR 38 -1.679 -7.733 1.844 251 HH TYR 38 HH TYR 38 -3.471 -6.481 -0.097 252 H TYR 39 H TYR 39 1.754 -5.935 5.727 253 HA TYR 39 HA TYR 39 -0.561 -7.488 6.004 254 HB2 TYR 39 1HB TYR 39 2.222 -7.628 7.048 255 HB3 TYR 39 2HB TYR 39 1.009 -8.623 7.845 256 HD1 TYR 39 2HD TYR 39 1.760 -7.731 4.287 257 HD2 TYR 39 1HD TYR 39 1.081 -10.812 7.142 258 HE1 TYR 39 2HE TYR 39 1.984 -9.418 2.511 259 HE2 TYR 39 1HE TYR 39 1.305 -12.507 5.374 260 HH TYR 39 HH TYR 39 2.704 -12.071 2.575 261 H ARG 40 H ARG 40 1.253 -5.674 8.477 262 HA ARG 40 HA ARG 40 -0.322 -6.203 10.673 263 HB2 ARG 40 1HB ARG 40 1.178 -3.696 9.917 264 HB3 ARG 40 2HB ARG 40 0.409 -3.912 11.484 265 HG2 ARG 40 1HG ARG 40 1.814 -5.862 11.911 266 HG3 ARG 40 2HG ARG 40 2.583 -5.651 10.336 267 HD2 ARG 40 1HD ARG 40 3.437 -3.484 11.015 268 HD3 ARG 40 2HD ARG 40 2.603 -3.617 12.563 269 HE ARG 40 HE ARG 40 4.177 -5.814 12.524 270 HH11 ARG 40 1HH1 ARG 40 4.791 -2.427 12.005 271 HH12 ARG 40 2HH1 ARG 40 6.416 -2.496 12.602 272 HH21 ARG 40 1HH2 ARG 40 6.315 -5.918 13.313 273 HH22 ARG 40 2HH2 ARG 40 7.282 -4.483 13.345 274 H GLN 41 H GLN 41 -0.775 -3.681 8.221 275 HA GLN 41 HA GLN 41 -2.923 -2.337 9.339 276 HB2 GLN 41 1HB GLN 41 -2.373 -2.902 6.422 277 HB3 GLN 41 2HB GLN 41 -3.520 -1.707 7.013 278 HG2 GLN 41 1HG GLN 41 -0.531 -1.696 7.279 279 HG3 GLN 41 2HG GLN 41 -1.557 -0.538 6.435 280 HE21 GLN 41 1HE2 GLN 41 0.323 -0.816 9.009 281 HE22 GLN 41 2HE2 GLN 41 -0.474 0.243 10.117 282 H CYS 42 H CYS 42 -2.971 -5.164 7.186 283 HA CYS 42 HA CYS 42 -5.639 -5.518 6.787 284 HB2 CYS 42 1HB CYS 42 -3.569 -7.637 7.389 285 HB3 CYS 42 2HB CYS 42 -5.173 -7.980 6.755 286 HG CYS 42 HG CYS 42 -4.484 -6.068 4.535 287 H PHE 43 H PHE 43 -3.807 -6.466 9.667 288 HA PHE 43 HA PHE 43 -6.077 -7.588 10.997 289 HB2 PHE 43 1HB PHE 43 -3.968 -8.453 11.648 290 HB3 PHE 43 2HB PHE 43 -3.300 -6.844 11.903 291 HD1 PHE 43 1HD PHE 43 -4.176 -5.468 13.828 292 HD2 PHE 43 2HD PHE 43 -4.997 -9.621 13.391 293 HE1 PHE 43 1HE PHE 43 -4.764 -5.599 16.213 294 HE2 PHE 43 2HE PHE 43 -5.588 -9.759 15.775 295 HZ PHE 43 HZ PHE 43 -5.473 -7.746 17.189 296 H LEU 44 H LEU 44 -4.350 -4.506 11.158 297 HA LEU 44 HA LEU 44 -5.617 -3.368 13.344 298 HB2 LEU 44 1HB LEU 44 -4.318 -2.304 10.893 299 HB3 LEU 44 2HB LEU 44 -5.267 -1.189 11.873 300 HG LEU 44 HG LEU 44 -3.146 -2.846 13.170 301 HD11 LEU 44 1HD1 LEU 44 -2.597 -1.181 10.993 302 HD12 LEU 44 2HD1 LEU 44 -1.449 -1.840 12.157 303 HD13 LEU 44 3HD1 LEU 44 -2.164 -0.250 12.427 304 HD21 LEU 44 3HD2 LEU 44 -4.376 -1.653 14.736 305 HD22 LEU 44 1HD2 LEU 44 -4.542 -0.248 13.683 306 HD23 LEU 44 2HD2 LEU 44 -2.989 -0.603 14.440 307 H TYR 45 H TYR 45 -6.684 -3.588 9.992 308 HA TYR 45 HA TYR 45 -9.337 -2.651 10.858 309 HB2 TYR 45 1HB TYR 45 -7.998 -2.029 8.217 310 HB3 TYR 45 2HB TYR 45 -9.632 -1.561 8.674 311 HD1 TYR 45 2HD TYR 45 -6.081 -1.161 9.736 312 HD2 TYR 45 1HD TYR 45 -9.998 0.500 9.687 313 HE1 TYR 45 2HE TYR 45 -5.205 0.919 10.713 314 HE2 TYR 45 1HE TYR 45 -9.132 2.585 10.662 315 HH TYR 45 HH TYR 45 -6.868 3.087 12.221 316 H HIS 46 H HIS 46 -8.598 -5.323 10.834 317 HA HIS 46 HA HIS 46 -8.960 -6.835 8.589 318 HB2 HIS 46 1HB HIS 46 -8.654 -7.473 11.145 319 HB3 HIS 46 2HB HIS 46 -10.398 -7.707 11.057 320 HD2 HIS 46 2HD HIS 46 -7.428 -8.968 8.737 321 HE1 HIS 46 1HE HIS 46 -10.160 -12.135 9.450 322 HE2 HIS 46 2HE HIS 46 -7.982 -11.468 8.374 323 HA PRO 47 HA PRO 47 -13.024 -5.998 7.110 324 HB2 PRO 47 1HB PRO 47 -13.382 -8.235 5.614 325 HB3 PRO 47 2HB PRO 47 -12.320 -6.910 5.123 326 HG2 PRO 47 1HG PRO 47 -11.621 -9.518 6.416 327 HG3 PRO 47 2HG PRO 47 -10.809 -8.678 5.083 328 HD2 PRO 47 1HD PRO 47 -9.895 -8.593 7.630 329 HD3 PRO 47 2HD PRO 47 -9.699 -7.238 6.499 330 H ASP 48 H ASP 48 -12.259 -8.422 9.302 331 HA ASP 48 HA ASP 48 -14.895 -9.630 9.387 332 HB2 ASP 48 1HB ASP 48 -12.371 -10.036 10.985 333 HB3 ASP 48 2HB ASP 48 -13.890 -10.817 11.418 334 H ARG 49 H ARG 49 -12.858 -7.702 11.583 335 HA ARG 49 HA ARG 49 -14.818 -7.361 13.574 336 HB2 ARG 49 1HB ARG 49 -12.218 -6.875 13.538 337 HB3 ARG 49 2HB ARG 49 -12.754 -5.256 13.107 338 HG2 ARG 49 1HG ARG 49 -14.011 -6.579 15.452 339 HG3 ARG 49 2HG ARG 49 -12.366 -5.959 15.610 340 HD2 ARG 49 1HD ARG 49 -13.436 -3.826 14.486 341 HD3 ARG 49 2HD ARG 49 -14.920 -4.498 15.161 342 HE ARG 49 HE ARG 49 -13.286 -4.544 17.279 343 HH11 ARG 49 1HH1 ARG 49 -13.988 -2.049 14.955 344 HH12 ARG 49 2HH1 ARG 49 -13.713 -0.752 16.071 345 HH21 ARG 49 1HH2 ARG 49 -12.921 -2.845 18.757 346 HH22 ARG 49 2HH2 ARG 49 -13.106 -1.206 18.233 347 H ASN 50 H ASN 50 -13.857 -5.302 10.846 348 HA ASN 50 HA ASN 50 -16.028 -3.449 11.425 349 HB2 ASN 50 1HB ASN 50 -13.970 -3.383 9.206 350 HB3 ASN 50 2HB ASN 50 -15.080 -2.084 9.631 351 HD21 ASN 50 1HD2 ASN 50 -12.316 -3.946 10.697 352 HD22 ASN 50 2HD2 ASN 50 -11.736 -2.788 11.841 353 H SER 51 H SER 51 -17.829 -4.761 10.979 354 HA SER 51 HA SER 51 -18.146 -6.040 8.431 355 HB2 SER 51 1HB SER 51 -19.223 -6.741 10.653 356 HB3 SER 51 2HB SER 51 -20.371 -5.431 10.374 357 HG SER 51 HG SER 51 -20.515 -6.576 8.173 358 H GLY 52 H GLY 52 -19.926 -3.371 10.005 359 HA2 GLY 52 1HA GLY 52 -20.354 -2.234 7.311 360 HA3 GLY 52 2HA GLY 52 -21.631 -2.272 8.517 361 H SER 53 H SER 53 -18.205 -1.278 8.443 362 HA SER 53 HA SER 53 -18.589 0.811 10.321 363 HB2 SER 53 1HB SER 53 -16.360 -0.000 8.488 364 HB3 SER 53 2HB SER 53 -16.286 1.561 9.305 365 HG SER 53 HG SER 53 -16.854 -0.781 10.759 366 H ALA 54 H ALA 54 -17.837 3.120 9.718 367 HA ALA 54 HA ALA 54 -19.392 3.956 7.363 368 HB1 ALA 54 3HB ALA 54 -18.663 5.974 9.385 369 HB2 ALA 54 1HB ALA 54 -20.179 5.728 8.516 370 HB3 ALA 54 2HB ALA 54 -19.787 4.720 9.910 371 H GLU 55 H GLU 55 -16.429 4.675 9.190 372 HA GLU 55 HA GLU 55 -15.393 6.163 6.889 373 HB2 GLU 55 1HB GLU 55 -14.563 5.988 9.776 374 HB3 GLU 55 2HB GLU 55 -13.501 6.678 8.557 375 HG2 GLU 55 1HG GLU 55 -15.664 8.097 8.005 376 HG3 GLU 55 2HG GLU 55 -16.030 7.727 9.689 377 H ALA 56 H ALA 56 -14.458 3.538 9.096 378 HA ALA 56 HA ALA 56 -12.050 2.745 8.275 379 HB1 ALA 56 3HB ALA 56 -14.227 0.685 8.385 380 HB2 ALA 56 1HB ALA 56 -12.550 0.555 8.916 381 HB3 ALA 56 2HB ALA 56 -13.691 1.542 9.830 382 H ALA 57 H ALA 57 -15.029 1.925 6.502 383 HA ALA 57 HA ALA 57 -14.148 0.412 4.459 384 HB1 ALA 57 3HB ALA 57 -16.132 0.852 3.539 385 HB2 ALA 57 1HB ALA 57 -16.410 1.914 4.919 386 HB3 ALA 57 2HB ALA 57 -15.783 2.575 3.409 387 H GLU 58 H GLU 58 -14.132 3.981 4.293 388 HA GLU 58 HA GLU 58 -12.759 4.242 1.904 389 HB2 GLU 58 1HB GLU 58 -12.785 6.025 4.339 390 HB3 GLU 58 2HB GLU 58 -12.030 6.484 2.819 391 HG2 GLU 58 1HG GLU 58 -14.940 5.851 3.248 392 HG3 GLU 58 2HG GLU 58 -14.237 7.448 2.995 393 H ARG 59 H ARG 59 -11.260 4.762 5.099 394 HA ARG 59 HA ARG 59 -8.652 4.877 4.466 395 HB2 ARG 59 1HB ARG 59 -9.517 4.971 6.772 396 HB3 ARG 59 2HB ARG 59 -9.770 3.231 6.742 397 HG2 ARG 59 1HG ARG 59 -7.769 3.470 7.885 398 HG3 ARG 59 2HG ARG 59 -7.255 3.080 6.243 399 HD2 ARG 59 1HD ARG 59 -5.879 4.857 6.754 400 HD3 ARG 59 2HD ARG 59 -7.215 5.665 5.935 401 HE ARG 59 HE ARG 59 -7.984 5.814 8.489 402 HH11 ARG 59 1HH1 ARG 59 -4.931 6.501 6.963 403 HH12 ARG 59 2HH1 ARG 59 -4.487 7.724 8.107 404 HH21 ARG 59 1HH2 ARG 59 -7.410 7.422 10.001 405 HH22 ARG 59 2HH2 ARG 59 -5.897 8.247 9.835 406 H PHE 60 H PHE 60 -10.344 1.793 5.063 407 HA PHE 60 HA PHE 60 -8.341 0.012 4.570 408 HB2 PHE 60 1HB PHE 60 -10.780 -0.455 5.178 409 HB3 PHE 60 2HB PHE 60 -11.111 -0.394 3.450 410 HD1 PHE 60 1HD PHE 60 -8.497 -1.951 5.618 411 HD2 PHE 60 2HD PHE 60 -11.346 -2.457 2.496 412 HE1 PHE 60 1HE PHE 60 -7.851 -4.317 5.417 413 HE2 PHE 60 2HE PHE 60 -10.705 -4.824 2.291 414 HZ PHE 60 HZ PHE 60 -8.957 -5.757 3.753 415 H THR 61 H THR 61 -10.437 1.515 2.126 416 HA THR 61 HA THR 61 -9.334 0.253 -0.118 417 HB THR 61 HB THR 61 -10.591 2.999 0.047 418 HG1 THR 61 1HG THR 61 -11.768 0.515 -0.702 419 HG21 THR 61 3HG2 THR 61 -10.954 1.561 -2.434 420 HG22 THR 61 1HG2 THR 61 -9.243 1.817 -2.091 421 HG23 THR 61 2HG2 THR 61 -10.344 3.193 -2.163 422 H ARG 62 H ARG 62 -8.443 3.252 1.531 423 HA ARG 62 HA ARG 62 -6.527 4.136 -0.326 424 HB2 ARG 62 1HB ARG 62 -6.815 4.619 2.639 425 HB3 ARG 62 2HB ARG 62 -5.597 5.415 1.652 426 HG2 ARG 62 1HG ARG 62 -7.377 6.385 0.265 427 HG3 ARG 62 2HG ARG 62 -8.580 5.620 1.305 428 HD2 ARG 62 1HD ARG 62 -8.037 6.975 3.128 429 HD3 ARG 62 2HD ARG 62 -6.481 7.436 2.437 430 HE ARG 62 HE ARG 62 -9.062 8.613 1.868 431 HH11 ARG 62 1HH1 ARG 62 -5.749 8.231 0.870 432 HH12 ARG 62 2HH1 ARG 62 -5.739 9.667 -0.100 433 HH21 ARG 62 1HH2 ARG 62 -9.062 10.505 0.594 434 HH22 ARG 62 2HH2 ARG 62 -7.624 10.960 -0.256 435 H ILE 63 H ILE 63 -6.150 2.243 2.664 436 HA ILE 63 HA ILE 63 -3.453 1.937 2.800 437 HB ILE 63 HB ILE 63 -5.479 -0.263 3.224 438 HG12 ILE 63 1HG1 ILE 63 -4.243 1.513 5.322 439 HG13 ILE 63 2HG1 ILE 63 -5.735 1.953 4.497 440 HG21 ILE 63 1HG2 ILE 63 -2.577 -0.009 3.907 441 HG22 ILE 63 2HG2 ILE 63 -3.650 -0.993 4.902 442 HG23 ILE 63 3HG2 ILE 63 -3.441 -1.369 3.192 443 HD11 ILE 63 3HD1 ILE 63 -6.764 0.855 6.129 444 HD12 ILE 63 1HD1 ILE 63 -6.225 -0.616 5.320 445 HD13 ILE 63 2HD1 ILE 63 -5.278 0.058 6.646 446 H SER 64 H SER 64 -5.607 -0.239 0.966 447 HA SER 64 HA SER 64 -3.763 -1.899 -0.177 448 HB2 SER 64 1HB SER 64 -5.361 -2.363 -1.894 449 HB3 SER 64 2HB SER 64 -6.282 -1.983 -0.439 450 HG SER 64 HG SER 64 -6.538 -0.859 -2.766 451 H GLN 65 H GLN 65 -4.646 1.356 -1.221 452 HA GLN 65 HA GLN 65 -3.248 1.420 -3.638 453 HB2 GLN 65 1HB GLN 65 -3.657 3.733 -1.737 454 HB3 GLN 65 2HB GLN 65 -3.351 3.834 -3.466 455 HG2 GLN 65 1HG GLN 65 -5.536 2.388 -3.611 456 HG3 GLN 65 2HG GLN 65 -5.834 3.081 -2.018 457 HE21 GLN 65 1HE2 GLN 65 -7.581 4.285 -2.705 458 HE22 GLN 65 2HE2 GLN 65 -7.416 5.672 -3.720 459 H ALA 66 H ALA 66 -2.187 2.259 -0.358 460 HA ALA 66 HA ALA 66 0.368 3.186 -0.978 461 HB1 ALA 66 3HB ALA 66 -0.451 3.555 1.208 462 HB2 ALA 66 1HB ALA 66 -0.710 1.831 1.482 463 HB3 ALA 66 2HB ALA 66 0.930 2.472 1.380 464 H TYR 67 H TYR 67 -0.868 -0.074 -0.693 465 HA TYR 67 HA TYR 67 1.770 -1.266 -0.785 466 HB2 TYR 67 1HB TYR 67 -0.288 -2.207 0.444 467 HB3 TYR 67 2HB TYR 67 -0.832 -2.739 -1.143 468 HD1 TYR 67 1HD TYR 67 2.526 -2.740 0.500 469 HD2 TYR 67 2HD TYR 67 -0.575 -5.027 -1.303 470 HE1 TYR 67 1HE TYR 67 3.905 -4.766 0.713 471 HE2 TYR 67 2HE TYR 67 0.794 -7.059 -1.094 472 HH TYR 67 HH TYR 67 3.239 -7.620 -0.909 473 H VAL 68 H VAL 68 0.513 0.414 -3.019 474 HA VAL 68 HA VAL 68 0.858 -1.547 -5.193 475 HB VAL 68 HB VAL 68 -0.669 1.060 -5.226 476 HG11 VAL 68 1HG1 VAL 68 -0.217 -0.971 -7.410 477 HG12 VAL 68 2HG1 VAL 68 -1.343 0.385 -7.501 478 HG13 VAL 68 3HG1 VAL 68 0.391 0.683 -7.368 479 HG21 VAL 68 3HG2 VAL 68 -2.068 -1.412 -5.903 480 HG22 VAL 68 1HG2 VAL 68 -1.472 -1.370 -4.243 481 HG23 VAL 68 2HG2 VAL 68 -2.544 -0.097 -4.827 482 H VAL 69 H VAL 69 1.135 1.991 -4.818 483 HA VAL 69 HA VAL 69 3.066 2.349 -6.800 484 HB VAL 69 HB VAL 69 2.593 4.034 -4.337 485 HG11 VAL 69 1HG1 VAL 69 4.201 4.489 -6.826 486 HG12 VAL 69 2HG1 VAL 69 3.532 5.839 -5.907 487 HG13 VAL 69 3HG1 VAL 69 4.669 4.728 -5.142 488 HG21 VAL 69 3HG2 VAL 69 1.156 3.703 -6.868 489 HG22 VAL 69 1HG2 VAL 69 0.608 4.366 -5.329 490 HG23 VAL 69 2HG2 VAL 69 1.518 5.378 -6.451 491 H LEU 70 H LEU 70 3.376 1.392 -3.462 492 HA LEU 70 HA LEU 70 6.302 1.542 -3.653 493 HB2 LEU 70 1HB LEU 70 4.707 0.915 -1.186 494 HB3 LEU 70 2HB LEU 70 6.382 1.451 -1.295 495 HG LEU 70 HG LEU 70 4.134 3.230 -2.175 496 HD11 LEU 70 1HD1 LEU 70 4.455 2.246 0.445 497 HD12 LEU 70 2HD1 LEU 70 3.410 3.554 -0.108 498 HD13 LEU 70 3HD1 LEU 70 5.049 3.906 0.442 499 HD21 LEU 70 3HD2 LEU 70 6.365 3.896 -2.820 500 HD22 LEU 70 1HD2 LEU 70 6.933 3.714 -1.160 501 HD23 LEU 70 2HD2 LEU 70 5.768 4.976 -1.560 502 H GLY 71 H GLY 71 3.646 -0.651 -3.563 503 HA2 GLY 71 1HA GLY 71 4.632 -2.969 -2.514 504 HA3 GLY 71 2HA GLY 71 3.601 -2.926 -3.937 505 H SER 72 H SER 72 5.169 -1.858 -5.855 506 HA SER 72 HA SER 72 7.170 -3.958 -6.208 507 HB2 SER 72 1HB SER 72 5.621 -2.188 -8.050 508 HB3 SER 72 2HB SER 72 7.176 -2.811 -8.600 509 HG SER 72 HG SER 72 5.373 -4.178 -9.120 510 H ALA 73 H ALA 73 9.198 -3.527 -5.679 511 HA ALA 73 HA ALA 73 10.368 -1.285 -4.815 512 HB1 ALA 73 3HB ALA 73 11.336 -3.689 -5.375 513 HB2 ALA 73 1HB ALA 73 12.019 -2.816 -6.748 514 HB3 ALA 73 2HB ALA 73 12.386 -2.299 -5.102 515 H THR 74 H THR 74 10.230 -2.170 -8.263 516 HA THR 74 HA THR 74 11.555 -0.050 -9.380 517 HB THR 74 HB THR 74 9.036 -1.328 -10.463 518 HG1 THR 74 1HG THR 74 11.791 -2.004 -10.637 519 HG21 THR 74 3HG2 THR 74 9.505 0.711 -11.657 520 HG22 THR 74 1HG2 THR 74 9.978 -0.653 -12.669 521 HG23 THR 74 2HG2 THR 74 11.207 0.277 -11.813 522 H LEU 75 H LEU 75 7.995 -0.147 -9.150 523 HA LEU 75 HA LEU 75 7.379 2.401 -9.813 524 HB2 LEU 75 1HB LEU 75 6.143 0.908 -7.505 525 HB3 LEU 75 2HB LEU 75 5.406 2.231 -8.406 526 HG LEU 75 HG LEU 75 6.126 -0.422 -9.641 527 HD11 LEU 75 1HD1 LEU 75 3.347 0.394 -8.889 528 HD12 LEU 75 2HD1 LEU 75 4.386 -0.441 -7.736 529 HD13 LEU 75 3HD1 LEU 75 3.977 -1.208 -9.270 530 HD21 LEU 75 3HD2 LEU 75 4.446 0.359 -11.333 531 HD22 LEU 75 1HD2 LEU 75 5.944 1.290 -11.283 532 HD23 LEU 75 2HD2 LEU 75 4.480 1.935 -10.540 533 H ARG 76 H ARG 76 7.901 1.406 -6.424 534 HA ARG 76 HA ARG 76 7.792 3.739 -5.104 535 HB2 ARG 76 1HB ARG 76 8.492 1.444 -4.221 536 HB3 ARG 76 2HB ARG 76 10.132 1.890 -4.670 537 HG2 ARG 76 1HG ARG 76 10.101 3.749 -3.148 538 HG3 ARG 76 2HG ARG 76 8.399 3.464 -2.780 539 HD2 ARG 76 1HD ARG 76 9.342 2.403 -0.998 540 HD3 ARG 76 2HD ARG 76 9.318 1.065 -2.146 541 HE ARG 76 HE ARG 76 11.641 2.476 -1.158 542 HH11 ARG 76 1HH1 ARG 76 10.339 0.345 -3.584 543 HH12 ARG 76 2HH1 ARG 76 11.880 -0.321 -4.013 544 HH21 ARG 76 1HH2 ARG 76 13.676 1.607 -1.714 545 HH22 ARG 76 2HH2 ARG 76 13.777 0.397 -2.948 546 H ARG 77 H ARG 77 10.726 2.607 -6.783 547 HA ARG 77 HA ARG 77 12.206 4.974 -6.325 548 HB2 ARG 77 1HB ARG 77 12.614 3.026 -8.594 549 HB3 ARG 77 2HB ARG 77 13.812 4.086 -7.865 550 HG2 ARG 77 1HG ARG 77 14.080 2.750 -6.024 551 HG3 ARG 77 2HG ARG 77 12.461 2.061 -6.155 552 HD2 ARG 77 1HD ARG 77 13.769 0.292 -6.835 553 HD3 ARG 77 2HD ARG 77 13.373 1.050 -8.376 554 HE ARG 77 HE ARG 77 15.593 1.459 -8.666 555 HH11 ARG 77 1HH1 ARG 77 14.988 1.029 -5.265 556 HH12 ARG 77 2HH1 ARG 77 16.660 1.133 -4.821 557 HH21 ARG 77 1HH2 ARG 77 17.797 1.597 -8.095 558 HH22 ARG 77 2HH2 ARG 77 18.257 1.457 -6.432 559 H LYS 78 H LYS 78 10.397 3.811 -9.156 560 HA LYS 78 HA LYS 78 10.898 5.752 -10.992 561 HB2 LYS 78 1HB LYS 78 8.229 4.485 -10.354 562 HB3 LYS 78 2HB LYS 78 8.564 5.405 -11.815 563 HG2 LYS 78 1HG LYS 78 10.513 3.692 -12.099 564 HG3 LYS 78 2HG LYS 78 9.536 2.707 -11.008 565 HD2 LYS 78 1HD LYS 78 8.758 2.042 -13.081 566 HD3 LYS 78 2HD LYS 78 7.599 3.299 -12.644 567 HE2 LYS 78 1HE LYS 78 8.104 3.944 -14.780 568 HE3 LYS 78 2HE LYS 78 9.324 4.851 -13.889 569 HZ1 LYS 78 3HZ LYS 78 10.762 2.772 -14.294 570 HZ2 LYS 78 1HZ LYS 78 10.534 3.863 -15.566 571 HZ3 LYS 78 2HZ LYS 78 9.651 2.421 -15.520 572 H TYR 79 H TYR 79 8.597 5.967 -8.304 573 HA TYR 79 HA TYR 79 7.569 8.508 -8.939 574 HB2 TYR 79 1HB TYR 79 6.671 6.781 -7.263 575 HB3 TYR 79 2HB TYR 79 7.836 7.457 -6.129 576 HD1 TYR 79 1HD TYR 79 5.503 8.977 -8.628 577 HD2 TYR 79 2HD TYR 79 6.771 8.779 -4.571 578 HE1 TYR 79 1HE TYR 79 3.898 10.748 -8.046 579 HE2 TYR 79 2HE TYR 79 5.169 10.549 -3.978 580 HH TYR 79 HH TYR 79 3.457 11.798 -4.693 581 H ASP 80 H ASP 80 10.146 7.548 -6.681 582 HA ASP 80 HA ASP 80 10.851 9.972 -5.632 583 HB2 ASP 80 1HB ASP 80 12.387 7.504 -6.296 584 HB3 ASP 80 2HB ASP 80 13.297 8.944 -5.845 585 H ARG 81 H ARG 81 11.601 8.718 -8.829 586 HA ARG 81 HA ARG 81 13.145 11.120 -9.462 587 HB2 ARG 81 1HB ARG 81 12.638 8.871 -11.383 588 HB3 ARG 81 2HB ARG 81 14.004 9.976 -11.309 589 HG2 ARG 81 1HG ARG 81 13.419 7.804 -9.307 590 HG3 ARG 81 2HG ARG 81 14.594 7.700 -10.619 591 HD2 ARG 81 1HD ARG 81 14.639 9.591 -8.273 592 HD3 ARG 81 2HD ARG 81 15.747 8.255 -8.585 593 HE ARG 81 HE ARG 81 15.905 9.951 -10.770 594 HH11 ARG 81 1HH1 ARG 81 16.542 10.087 -7.350 595 HH12 ARG 81 2HH1 ARG 81 17.803 11.266 -7.499 596 HH21 ARG 81 1HH2 ARG 81 17.564 11.502 -10.980 597 HH22 ARG 81 2HH2 ARG 81 18.383 12.070 -9.564 598 H GLY 82 H GLY 82 10.029 9.746 -9.902 599 HA2 GLY 82 1HA GLY 82 8.164 11.000 -10.636 600 HA3 GLY 82 2HA GLY 82 9.255 12.068 -11.506 601 H LEU 83 H LEU 83 10.056 8.841 -12.007 602 HA LEU 83 HA LEU 83 9.312 8.960 -14.757 603 HB2 LEU 83 1HB LEU 83 10.231 6.559 -13.188 604 HB3 LEU 83 2HB LEU 83 10.281 6.767 -14.937 605 HG LEU 83 HG LEU 83 11.809 8.677 -13.237 606 HD11 LEU 83 1HD1 LEU 83 12.131 6.045 -12.712 607 HD12 LEU 83 2HD1 LEU 83 13.415 7.247 -12.588 608 HD13 LEU 83 3HD1 LEU 83 13.271 6.258 -14.041 609 HD21 LEU 83 3HD2 LEU 83 11.792 9.111 -15.575 610 HD22 LEU 83 1HD2 LEU 83 12.157 7.427 -15.955 611 HD23 LEU 83 2HD2 LEU 83 13.377 8.441 -15.184 612 H LEU 84 H LEU 84 7.707 7.966 -11.924 613 HA LEU 84 HA LEU 84 6.012 5.977 -13.061 614 HB2 LEU 84 1HB LEU 84 6.475 6.171 -10.645 615 HB3 LEU 84 2HB LEU 84 5.577 7.687 -10.616 616 HG LEU 84 HG LEU 84 3.660 6.110 -11.584 617 HD11 LEU 84 1HD1 LEU 84 3.820 3.910 -11.133 618 HD12 LEU 84 2HD1 LEU 84 4.761 4.167 -9.664 619 HD13 LEU 84 3HD1 LEU 84 5.552 4.226 -11.239 620 HD21 LEU 84 3HD2 LEU 84 3.447 5.604 -8.881 621 HD22 LEU 84 1HD2 LEU 84 2.866 7.041 -9.721 622 HD23 LEU 84 2HD2 LEU 84 4.453 7.052 -8.952 623 H SER 85 H SER 85 4.336 6.243 -14.368 624 HA SER 85 HA SER 85 3.209 8.936 -14.678 625 HB2 SER 85 1HB SER 85 3.103 6.524 -16.504 626 HB3 SER 85 2HB SER 85 2.302 8.061 -16.833 627 HG SER 85 HG SER 85 4.203 8.999 -17.196 628 H ASP 86 H ASP 86 0.912 9.191 -14.903 629 HA ASP 86 HA ASP 86 -0.609 8.108 -12.897 630 HB2 ASP 86 1HB ASP 86 -1.585 9.110 -15.580 631 HB3 ASP 86 2HB ASP 86 -2.592 8.893 -14.151 632 H GLU 87 H GLU 87 -0.144 6.879 -16.161 633 HA GLU 87 HA GLU 87 -2.143 4.942 -16.220 634 HB2 GLU 87 1HB GLU 87 0.587 5.014 -17.500 635 HB3 GLU 87 2HB GLU 87 -0.579 3.737 -17.819 636 HG2 GLU 87 1HG GLU 87 -2.184 5.493 -18.567 637 HG3 GLU 87 2HG GLU 87 -0.879 6.669 -18.414 638 H ASP 88 H ASP 88 0.994 4.928 -14.675 639 HA ASP 88 HA ASP 88 0.975 2.119 -14.083 640 HB2 ASP 88 1HB ASP 88 2.680 4.427 -13.160 641 HB3 ASP 88 2HB ASP 88 2.875 2.804 -12.505 642 H LEU 89 H LEU 89 0.135 5.082 -12.367 643 HA LEU 89 HA LEU 89 -0.224 3.993 -9.812 644 HB2 LEU 89 1HB LEU 89 -1.307 6.387 -11.232 645 HB3 LEU 89 2HB LEU 89 -1.944 5.950 -9.648 646 HG LEU 89 HG LEU 89 1.005 6.236 -9.967 647 HD11 LEU 89 1HD1 LEU 89 0.338 8.224 -11.052 648 HD12 LEU 89 2HD1 LEU 89 0.708 8.675 -9.388 649 HD13 LEU 89 3HD1 LEU 89 -0.970 8.502 -9.902 650 HD21 LEU 89 3HD2 LEU 89 -0.825 7.086 -7.734 651 HD22 LEU 89 1HD2 LEU 89 0.921 6.838 -7.680 652 HD23 LEU 89 2HD2 LEU 89 -0.160 5.457 -7.869 653 H ARG 90 H ARG 90 -2.599 4.542 -12.407 654 HA ARG 90 HA ARG 90 -4.728 3.284 -10.976 655 HB2 ARG 90 1HB ARG 90 -6.055 3.679 -12.886 656 HB3 ARG 90 2HB ARG 90 -4.944 5.039 -12.810 657 HG2 ARG 90 1HG ARG 90 -3.513 3.896 -14.485 658 HG3 ARG 90 2HG ARG 90 -4.752 2.646 -14.623 659 HD2 ARG 90 1HD ARG 90 -5.570 5.487 -14.944 660 HD3 ARG 90 2HD ARG 90 -4.678 4.724 -16.259 661 HE ARG 90 HE ARG 90 -6.507 3.391 -16.704 662 HH11 ARG 90 1HH1 ARG 90 -6.982 5.124 -13.722 663 HH12 ARG 90 2HH1 ARG 90 -8.661 4.715 -13.600 664 HH21 ARG 90 1HH2 ARG 90 -8.717 2.847 -16.554 665 HH22 ARG 90 2HH2 ARG 90 -9.647 3.419 -15.211 666 H GLY 91 H GLY 91 -2.561 2.290 -13.602 667 HA2 GLY 91 1HA GLY 91 -1.773 0.106 -13.952 668 HA3 GLY 91 2HA GLY 91 -3.028 -0.495 -12.878 669 HA PRO 92 HA PRO 92 -4.134 -0.763 -17.545 670 HB2 PRO 92 1HB PRO 92 -3.262 -3.271 -18.112 671 HB3 PRO 92 2HB PRO 92 -2.267 -1.831 -18.354 672 HG2 PRO 92 1HG PRO 92 -2.246 -3.790 -16.090 673 HG3 PRO 92 2HG PRO 92 -0.878 -3.052 -16.944 674 HD2 PRO 92 1HD PRO 92 -1.737 -2.170 -14.532 675 HD3 PRO 92 2HD PRO 92 -1.029 -1.087 -15.748 676 H GLY 93 H GLY 93 -6.259 -0.835 -16.768 677 HA2 GLY 93 1HA GLY 93 -7.335 -3.035 -15.329 678 HA3 GLY 93 2HA GLY 93 -8.259 -1.783 -16.146 679 H SER 94 H SER 94 -8.628 -2.025 -18.454 680 HA SER 94 HA SER 94 -8.670 -4.862 -19.250 681 HB2 SER 94 1HB SER 94 -10.665 -4.251 -20.634 682 HB3 SER 94 2HB SER 94 -10.923 -4.056 -18.900 683 HG SER 94 HG SER 94 -10.610 -1.837 -19.147 684 H GLY 95 H GLY 95 -8.740 -5.183 -21.663 685 HA2 GLY 95 1HA GLY 95 -7.484 -3.086 -23.238 686 HA3 GLY 95 2HA GLY 95 -6.497 -4.511 -22.951 687 HA PRO 96 HA PRO 96 -8.845 -5.235 -26.857 688 HB2 PRO 96 1HB PRO 96 -6.744 -6.338 -28.177 689 HB3 PRO 96 2HB PRO 96 -7.031 -4.595 -28.114 690 HG2 PRO 96 1HG PRO 96 -5.151 -6.264 -26.489 691 HG3 PRO 96 2HG PRO 96 -4.877 -4.682 -27.243 692 HD2 PRO 96 1HD PRO 96 -5.430 -4.965 -24.607 693 HD3 PRO 96 2HD PRO 96 -5.946 -3.548 -25.545 694 H SER 97 H SER 97 -10.105 -6.853 -25.897 695 HA SER 97 HA SER 97 -8.882 -9.465 -25.439 696 HB2 SER 97 1HB SER 97 -10.981 -10.078 -24.386 697 HB3 SER 97 2HB SER 97 -10.456 -8.517 -23.755 698 HG SER 97 HG SER 97 -12.703 -8.597 -24.339 699 H SER 98 H SER 98 -9.844 -11.400 -26.333 700 HA SER 98 HA SER 98 -10.330 -11.150 -29.132 701 HB2 SER 98 1HB SER 98 -10.360 -13.505 -27.243 702 HB3 SER 98 2HB SER 98 -10.704 -13.666 -28.965 703 HG SER 98 HG SER 98 -8.617 -13.805 -29.145 704 H GLY 99 H GLY 99 -12.221 -10.130 -29.611 705 HA2 GLY 99 1HA GLY 99 -14.688 -10.962 -28.300 706 HA3 GLY 99 2HA GLY 99 -14.508 -9.634 -29.438 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 29.865 17.467 0.568 2 HA2 GLY 1 1HA GLY 1 27.745 15.585 -0.078 3 HA3 GLY 1 2HA GLY 1 27.480 16.559 1.361 4 H SER 2 H SER 2 25.575 17.250 0.077 5 HA SER 2 HA SER 2 26.269 19.641 -1.463 6 HB2 SER 2 1HB SER 2 24.426 19.080 -3.094 7 HB3 SER 2 2HB SER 2 25.846 18.040 -3.198 8 HG SER 2 HG SER 2 24.686 16.393 -2.567 9 H SER 3 H SER 3 24.580 21.226 -1.551 10 HA SER 3 HA SER 3 22.579 20.892 0.588 11 HB2 SER 3 1HB SER 3 24.533 22.606 0.853 12 HB3 SER 3 2HB SER 3 23.592 23.585 -0.273 13 HG SER 3 HG SER 3 22.015 23.789 1.191 14 H GLY 4 H GLY 4 20.800 20.317 -0.572 15 HA2 GLY 4 1HA GLY 4 19.851 22.302 -2.539 16 HA3 GLY 4 2HA GLY 4 19.739 20.579 -2.869 17 H SER 5 H SER 5 18.115 19.380 -1.955 18 HA SER 5 HA SER 5 15.722 20.635 -1.319 19 HB2 SER 5 1HB SER 5 15.623 18.379 -2.054 20 HB3 SER 5 2HB SER 5 16.712 17.836 -0.778 21 HG SER 5 HG SER 5 14.926 17.406 0.242 22 H SER 6 H SER 6 15.736 22.120 0.295 23 HA SER 6 HA SER 6 16.530 21.185 2.975 24 HB2 SER 6 1HB SER 6 16.881 23.567 3.545 25 HB3 SER 6 2HB SER 6 17.906 23.054 2.205 26 HG SER 6 HG SER 6 15.857 23.894 0.981 27 H GLY 7 H GLY 7 15.243 21.892 4.776 28 HA2 GLY 7 1HA GLY 7 13.230 23.099 5.519 29 HA3 GLY 7 2HA GLY 7 12.474 22.591 4.016 30 H SER 8 H SER 8 11.246 22.125 6.432 31 HA SER 8 HA SER 8 11.746 19.307 7.053 32 HB2 SER 8 1HB SER 8 10.103 21.430 8.442 33 HB3 SER 8 2HB SER 8 10.103 19.736 8.930 34 HG SER 8 HG SER 8 11.782 21.569 9.694 35 H GLN 9 H GLN 9 9.574 18.121 7.643 36 HA GLN 9 HA GLN 9 7.730 18.524 5.380 37 HB2 GLN 9 1HB GLN 9 8.816 16.024 6.633 38 HB3 GLN 9 2HB GLN 9 7.274 15.993 5.788 39 HG2 GLN 9 1HG GLN 9 8.366 16.818 3.765 40 HG3 GLN 9 2HG GLN 9 9.912 16.840 4.613 41 HE21 GLN 9 1HE2 GLN 9 9.153 15.371 2.231 42 HE22 GLN 9 2HE2 GLN 9 9.396 13.699 2.590 43 H GLY 10 H GLY 10 5.737 19.099 5.927 44 HA2 GLY 10 1HA GLY 10 4.678 18.181 8.524 45 HA3 GLY 10 2HA GLY 10 4.510 19.857 8.022 46 H ASP 11 H ASP 11 2.236 18.694 8.642 47 HA ASP 11 HA ASP 11 0.958 17.217 6.603 48 HB2 ASP 11 1HB ASP 11 0.036 18.771 8.985 49 HB3 ASP 11 2HB ASP 11 -1.154 18.262 7.790 50 H CYS 12 H CYS 12 0.774 20.676 7.438 51 HA CYS 12 HA CYS 12 -0.961 21.585 5.547 52 HB2 CYS 12 1HB CYS 12 0.286 23.729 5.594 53 HB3 CYS 12 2HB CYS 12 0.012 23.067 7.201 54 HG CYS 12 HG CYS 12 2.966 22.762 5.501 55 H SER 13 H SER 13 2.441 20.774 5.082 56 HA SER 13 HA SER 13 2.514 21.659 2.359 57 HB2 SER 13 1HB SER 13 4.404 19.833 3.864 58 HB3 SER 13 2HB SER 13 4.724 20.572 2.295 59 HG SER 13 HG SER 13 4.971 21.629 4.778 60 H TYR 14 H TYR 14 2.054 20.569 0.545 61 HA TYR 14 HA TYR 14 0.383 18.497 0.309 62 HB2 TYR 14 1HB TYR 14 1.635 17.909 -1.867 63 HB3 TYR 14 2HB TYR 14 0.997 19.541 -1.699 64 HD1 TYR 14 2HD TYR 14 4.120 17.566 -1.214 65 HD2 TYR 14 1HD TYR 14 2.397 21.368 -2.039 66 HE1 TYR 14 2HE TYR 14 6.361 18.480 -1.653 67 HE2 TYR 14 1HE TYR 14 4.633 22.292 -2.481 68 HH TYR 14 HH TYR 14 7.097 20.845 -3.271 69 H SER 15 H SER 15 0.353 16.318 0.473 70 HA SER 15 HA SER 15 2.355 15.029 2.004 71 HB2 SER 15 1HB SER 15 -0.168 14.187 0.651 72 HB3 SER 15 2HB SER 15 0.973 12.929 1.129 73 HG SER 15 HG SER 15 0.030 13.141 2.999 74 H ARG 16 H ARG 16 4.149 14.001 1.410 75 HA ARG 16 HA ARG 16 4.500 13.353 -1.445 76 HB2 ARG 16 1HB ARG 16 5.907 15.255 -0.564 77 HB3 ARG 16 2HB ARG 16 6.703 14.088 0.483 78 HG2 ARG 16 1HG ARG 16 7.326 12.805 -1.579 79 HG3 ARG 16 2HG ARG 16 6.722 14.170 -2.521 80 HD2 ARG 16 1HD ARG 16 8.988 14.627 -2.360 81 HD3 ARG 16 2HD ARG 16 8.306 15.582 -1.044 82 HE ARG 16 HE ARG 16 9.536 14.329 0.404 83 HH11 ARG 16 1HH1 ARG 16 9.100 12.506 -2.530 84 HH12 ARG 16 2HH1 ARG 16 10.102 11.190 -2.015 85 HH21 ARG 16 1HH2 ARG 16 10.856 12.602 1.094 86 HH22 ARG 16 2HH2 ARG 16 11.100 11.245 0.047 87 H THR 17 H THR 17 4.668 12.266 1.818 88 HA THR 17 HA THR 17 5.566 9.626 0.870 89 HB THR 17 HB THR 17 6.656 9.279 3.089 90 HG1 THR 17 1HG THR 17 5.583 10.924 4.258 91 HG21 THR 17 3HG2 THR 17 7.874 11.694 1.791 92 HG22 THR 17 1HG2 THR 17 7.806 10.149 0.943 93 HG23 THR 17 2HG2 THR 17 8.673 10.278 2.474 94 H ALA 18 H ALA 18 2.883 10.454 1.091 95 HA ALA 18 HA ALA 18 1.681 9.753 3.543 96 HB1 ALA 18 3HB ALA 18 0.755 10.944 1.357 97 HB2 ALA 18 1HB ALA 18 0.180 9.310 1.024 98 HB3 ALA 18 2HB ALA 18 -0.308 10.132 2.506 99 H LEU 19 H LEU 19 1.896 7.891 0.503 100 HA LEU 19 HA LEU 19 0.739 5.550 1.209 101 HB2 LEU 19 1HB LEU 19 3.390 5.471 -0.175 102 HB3 LEU 19 2HB LEU 19 1.954 4.494 -0.470 103 HG LEU 19 HG LEU 19 2.459 7.342 -1.302 104 HD11 LEU 19 1HD1 LEU 19 1.827 6.303 -3.534 105 HD12 LEU 19 2HD1 LEU 19 2.028 4.742 -2.741 106 HD13 LEU 19 3HD1 LEU 19 3.392 5.853 -2.858 107 HD21 LEU 19 3HD2 LEU 19 0.229 7.567 -1.986 108 HD22 LEU 19 1HD2 LEU 19 0.129 6.904 -0.355 109 HD23 LEU 19 2HD2 LEU 19 -0.110 5.852 -1.751 110 H TYR 20 H TYR 20 3.707 6.827 2.453 111 HA TYR 20 HA TYR 20 4.586 4.335 3.610 112 HB2 TYR 20 1HB TYR 20 5.570 7.147 4.132 113 HB3 TYR 20 2HB TYR 20 6.383 5.658 4.597 114 HD1 TYR 20 2HD TYR 20 5.284 7.648 1.665 115 HD2 TYR 20 1HD TYR 20 7.832 4.559 3.103 116 HE1 TYR 20 2HE TYR 20 6.469 7.630 -0.490 117 HE2 TYR 20 1HE TYR 20 9.025 4.533 0.952 118 HH TYR 20 HH TYR 20 8.297 5.248 -1.564 119 H ASP 21 H ASP 21 3.566 7.467 4.983 120 HA ASP 21 HA ASP 21 3.428 6.778 7.633 121 HB2 ASP 21 1HB ASP 21 3.025 9.023 7.269 122 HB3 ASP 21 2HB ASP 21 1.906 8.716 5.944 123 H LEU 22 H LEU 22 1.250 5.894 5.064 124 HA LEU 22 HA LEU 22 -0.962 5.100 6.608 125 HB2 LEU 22 1HB LEU 22 0.037 4.535 3.872 126 HB3 LEU 22 2HB LEU 22 -1.190 3.455 4.531 127 HG LEU 22 HG LEU 22 -2.404 5.772 5.023 128 HD11 LEU 22 1HD1 LEU 22 -0.527 6.329 2.744 129 HD12 LEU 22 2HD1 LEU 22 -0.778 7.271 4.212 130 HD13 LEU 22 3HD1 LEU 22 -2.034 7.215 2.976 131 HD21 LEU 22 3HD2 LEU 22 -3.210 3.834 3.676 132 HD22 LEU 22 1HD2 LEU 22 -2.385 4.526 2.279 133 HD23 LEU 22 2HD2 LEU 22 -3.705 5.406 3.049 134 H LEU 23 H LEU 23 1.873 3.300 5.472 135 HA LEU 23 HA LEU 23 1.012 0.919 6.903 136 HB2 LEU 23 1HB LEU 23 3.128 1.574 4.927 137 HB3 LEU 23 2HB LEU 23 3.418 0.221 6.018 138 HG LEU 23 HG LEU 23 1.386 -0.873 5.200 139 HD11 LEU 23 1HD1 LEU 23 -0.203 0.383 4.291 140 HD12 LEU 23 2HD1 LEU 23 0.800 0.484 2.845 141 HD13 LEU 23 3HD1 LEU 23 0.902 1.741 4.078 142 HD21 LEU 23 3HD2 LEU 23 2.200 -1.449 2.989 143 HD22 LEU 23 1HD2 LEU 23 3.548 -1.309 4.118 144 HD23 LEU 23 2HD2 LEU 23 3.224 -0.012 2.967 145 H GLY 24 H GLY 24 3.886 3.038 6.877 146 HA2 GLY 24 1HA GLY 24 4.569 3.896 9.108 147 HA3 GLY 24 2HA GLY 24 4.330 2.256 9.693 148 H VAL 25 H VAL 25 5.740 2.780 6.569 149 HA VAL 25 HA VAL 25 8.321 1.848 7.635 150 HB VAL 25 HB VAL 25 8.810 0.975 5.422 151 HG11 VAL 25 1HG1 VAL 25 7.087 -0.781 5.303 152 HG12 VAL 25 2HG1 VAL 25 7.637 -0.492 6.954 153 HG13 VAL 25 3HG1 VAL 25 6.084 0.149 6.416 154 HG21 VAL 25 3HG2 VAL 25 7.070 1.002 3.658 155 HG22 VAL 25 1HG2 VAL 25 6.114 2.093 4.662 156 HG23 VAL 25 2HG2 VAL 25 7.685 2.608 4.048 157 HA PRO 26 HA PRO 26 10.272 5.614 6.482 158 HB2 PRO 26 1HB PRO 26 12.788 4.719 5.994 159 HB3 PRO 26 2HB PRO 26 12.114 4.849 7.623 160 HG2 PRO 26 1HG PRO 26 12.365 2.440 5.864 161 HG3 PRO 26 2HG PRO 26 12.688 2.596 7.601 162 HD2 PRO 26 1HD PRO 26 10.398 1.520 6.635 163 HD3 PRO 26 2HD PRO 26 10.457 2.431 8.158 164 H SER 27 H SER 27 11.522 6.644 4.721 165 HA SER 27 HA SER 27 10.408 6.068 2.200 166 HB2 SER 27 1HB SER 27 12.888 7.723 2.699 167 HB3 SER 27 2HB SER 27 11.751 7.868 1.359 168 HG SER 27 HG SER 27 11.201 9.441 2.793 169 H THR 28 H THR 28 13.172 4.841 3.813 170 HA THR 28 HA THR 28 14.069 3.549 1.318 171 HB THR 28 HB THR 28 15.781 5.083 2.129 172 HG1 THR 28 1HG THR 28 17.454 3.573 2.171 173 HG21 THR 28 3HG2 THR 28 15.346 5.290 4.440 174 HG22 THR 28 1HG2 THR 28 16.911 4.486 4.334 175 HG23 THR 28 2HG2 THR 28 15.462 3.549 4.699 176 H ALA 29 H ALA 29 12.043 2.647 3.254 177 HA ALA 29 HA ALA 29 12.993 0.681 4.991 178 HB1 ALA 29 3HB ALA 29 10.581 1.663 4.556 179 HB2 ALA 29 1HB ALA 29 10.428 0.213 3.564 180 HB3 ALA 29 2HB ALA 29 10.812 0.071 5.280 181 H THR 30 H THR 30 12.201 -1.738 4.565 182 HA THR 30 HA THR 30 13.456 -2.569 2.030 183 HB THR 30 HB THR 30 14.823 -3.226 3.928 184 HG1 THR 30 1HG THR 30 14.437 -5.662 3.607 185 HG21 THR 30 3HG2 THR 30 12.792 -3.284 5.507 186 HG22 THR 30 1HG2 THR 30 14.066 -4.477 5.758 187 HG23 THR 30 2HG2 THR 30 12.573 -4.940 4.941 188 H GLN 31 H GLN 31 12.614 -4.420 0.969 189 HA GLN 31 HA GLN 31 9.907 -4.547 0.631 190 HB2 GLN 31 1HB GLN 31 10.223 -6.596 -0.546 191 HB3 GLN 31 2HB GLN 31 11.666 -5.625 -0.809 192 HG2 GLN 31 1HG GLN 31 11.413 -7.868 1.182 193 HG3 GLN 31 2HG GLN 31 12.185 -7.980 -0.399 194 HE21 GLN 31 1HE2 GLN 31 13.658 -5.769 -0.590 195 HE22 GLN 31 2HE2 GLN 31 14.847 -5.698 0.661 196 H ALA 32 H ALA 32 11.858 -6.323 2.963 197 HA ALA 32 HA ALA 32 9.930 -8.128 3.872 198 HB1 ALA 32 3HB ALA 32 11.329 -7.829 6.095 199 HB2 ALA 32 1HB ALA 32 11.994 -8.654 4.685 200 HB3 ALA 32 2HB ALA 32 12.420 -6.973 5.006 201 H GLN 33 H GLN 33 10.496 -4.758 4.687 202 HA GLN 33 HA GLN 33 8.611 -4.758 6.864 203 HB2 GLN 33 1HB GLN 33 10.047 -2.526 5.423 204 HB3 GLN 33 2HB GLN 33 8.969 -2.271 6.788 205 HG2 GLN 33 1HG GLN 33 10.410 -3.567 8.222 206 HG3 GLN 33 2HG GLN 33 11.458 -3.960 6.860 207 HE21 GLN 33 1HE2 GLN 33 9.957 -0.931 7.926 208 HE22 GLN 33 2HE2 GLN 33 11.433 -0.042 8.051 209 H ILE 34 H ILE 34 8.685 -2.927 3.800 210 HA ILE 34 HA ILE 34 6.235 -1.863 3.683 211 HB ILE 34 HB ILE 34 7.575 -3.347 1.421 212 HG12 ILE 34 1HG1 ILE 34 7.501 -0.383 2.008 213 HG13 ILE 34 2HG1 ILE 34 8.815 -1.440 2.512 214 HG21 ILE 34 1HG2 ILE 34 5.318 -3.120 0.775 215 HG22 ILE 34 2HG2 ILE 34 5.212 -1.490 1.440 216 HG23 ILE 34 3HG2 ILE 34 6.175 -1.791 -0.007 217 HD11 ILE 34 3HD1 ILE 34 8.810 -2.049 -0.063 218 HD12 ILE 34 1HD1 ILE 34 8.108 -0.436 -0.180 219 HD13 ILE 34 2HD1 ILE 34 9.687 -0.658 0.574 220 H LYS 35 H LYS 35 6.948 -5.282 3.265 221 HA LYS 35 HA LYS 35 4.256 -5.987 2.556 222 HB2 LYS 35 1HB LYS 35 6.302 -7.281 1.873 223 HB3 LYS 35 2HB LYS 35 6.456 -7.807 3.544 224 HG2 LYS 35 1HG LYS 35 4.218 -8.839 3.389 225 HG3 LYS 35 2HG LYS 35 4.158 -8.382 1.685 226 HD2 LYS 35 1HD LYS 35 6.476 -9.649 1.629 227 HD3 LYS 35 2HD LYS 35 5.803 -10.457 3.047 228 HE2 LYS 35 1HE LYS 35 5.099 -11.831 1.327 229 HE3 LYS 35 2HE LYS 35 3.706 -10.773 1.547 230 HZ1 LYS 35 3HZ LYS 35 4.663 -11.217 -0.816 231 HZ2 LYS 35 1HZ LYS 35 5.776 -10.015 -0.392 232 HZ3 LYS 35 2HZ LYS 35 4.121 -9.670 -0.399 233 H ALA 36 H ALA 36 6.268 -6.748 5.406 234 HA ALA 36 HA ALA 36 4.371 -7.887 7.018 235 HB1 ALA 36 3HB ALA 36 6.196 -7.982 8.280 236 HB2 ALA 36 1HB ALA 36 6.946 -6.653 7.395 237 HB3 ALA 36 2HB ALA 36 5.882 -6.314 8.760 238 H ALA 37 H ALA 37 4.848 -4.479 6.329 239 HA ALA 37 HA ALA 37 3.170 -3.446 8.354 240 HB1 ALA 37 3HB ALA 37 3.129 -1.763 6.045 241 HB2 ALA 37 1HB ALA 37 3.964 -1.526 7.581 242 HB3 ALA 37 2HB ALA 37 4.756 -2.405 6.273 243 H TYR 38 H TYR 38 2.478 -3.445 4.857 244 HA TYR 38 HA TYR 38 -0.156 -2.884 4.854 245 HB2 TYR 38 1HB TYR 38 0.913 -3.207 2.762 246 HB3 TYR 38 2HB TYR 38 1.347 -4.867 3.152 247 HD1 TYR 38 1HD TYR 38 -1.425 -2.636 2.190 248 HD2 TYR 38 2HD TYR 38 -0.196 -6.663 2.805 249 HE1 TYR 38 1HE TYR 38 -3.468 -3.425 1.070 250 HE2 TYR 38 2HE TYR 38 -2.234 -7.463 1.686 251 HH TYR 38 HH TYR 38 -3.968 -5.973 -0.263 252 H TYR 39 H TYR 39 1.290 -5.794 6.039 253 HA TYR 39 HA TYR 39 -1.140 -7.331 6.072 254 HB2 TYR 39 1HB TYR 39 1.653 -7.730 7.056 255 HB3 TYR 39 2HB TYR 39 0.374 -8.745 7.713 256 HD1 TYR 39 1HD TYR 39 -1.338 -9.300 5.462 257 HD2 TYR 39 2HD TYR 39 2.904 -9.000 5.583 258 HE1 TYR 39 1HE TYR 39 -1.184 -10.772 3.498 259 HE2 TYR 39 2HE TYR 39 3.070 -10.470 3.619 260 HH TYR 39 HH TYR 39 0.971 -11.007 1.540 261 H ARG 40 H ARG 40 0.968 -6.424 8.797 262 HA ARG 40 HA ARG 40 -0.763 -6.804 10.857 263 HB2 ARG 40 1HB ARG 40 0.535 -5.251 12.153 264 HB3 ARG 40 2HB ARG 40 1.621 -6.098 11.059 265 HG2 ARG 40 1HG ARG 40 1.927 -4.227 9.713 266 HG3 ARG 40 2HG ARG 40 0.476 -3.432 10.328 267 HD2 ARG 40 1HD ARG 40 1.602 -3.264 12.549 268 HD3 ARG 40 2HD ARG 40 3.070 -3.884 11.794 269 HE ARG 40 HE ARG 40 2.388 -1.748 10.254 270 HH11 ARG 40 1HH1 ARG 40 2.941 -2.221 13.658 271 HH12 ARG 40 2HH1 ARG 40 3.519 -0.608 13.921 272 HH21 ARG 40 1HH2 ARG 40 3.146 0.377 10.587 273 HH22 ARG 40 2HH2 ARG 40 3.634 0.869 12.174 274 H GLN 41 H GLN 41 -0.891 -4.298 8.475 275 HA GLN 41 HA GLN 41 -2.504 -2.445 9.867 276 HB2 GLN 41 1HB GLN 41 -1.983 -2.969 6.955 277 HB3 GLN 41 2HB GLN 41 -3.162 -1.765 7.458 278 HG2 GLN 41 1HG GLN 41 -0.201 -1.786 7.907 279 HG3 GLN 41 2HG GLN 41 -1.189 -0.572 7.096 280 HE21 GLN 41 1HE2 GLN 41 0.654 -0.840 9.618 281 HE22 GLN 41 2HE2 GLN 41 -0.205 0.087 10.796 282 H CYS 42 H CYS 42 -3.365 -4.953 7.485 283 HA CYS 42 HA CYS 42 -6.039 -4.682 7.280 284 HB2 CYS 42 1HB CYS 42 -4.857 -6.458 6.131 285 HB3 CYS 42 2HB CYS 42 -4.518 -7.268 7.656 286 HG CYS 42 HG CYS 42 -6.849 -8.431 7.990 287 H PHE 43 H PHE 43 -4.388 -6.345 9.952 288 HA PHE 43 HA PHE 43 -6.530 -7.246 11.402 289 HB2 PHE 43 1HB PHE 43 -4.318 -7.773 12.136 290 HB3 PHE 43 2HB PHE 43 -3.919 -6.073 12.361 291 HD1 PHE 43 1HD PHE 43 -4.714 -4.852 14.296 292 HD2 PHE 43 2HD PHE 43 -5.627 -8.975 13.763 293 HE1 PHE 43 1HE PHE 43 -5.399 -5.002 16.655 294 HE2 PHE 43 2HE PHE 43 -6.314 -9.131 16.120 295 HZ PHE 43 HZ PHE 43 -6.202 -7.143 17.569 296 H LEU 44 H LEU 44 -4.928 -4.112 11.995 297 HA LEU 44 HA LEU 44 -6.475 -2.961 13.837 298 HB2 LEU 44 1HB LEU 44 -5.478 -1.735 11.279 299 HB3 LEU 44 2HB LEU 44 -6.235 -0.786 12.556 300 HG LEU 44 HG LEU 44 -3.894 -2.492 13.253 301 HD11 LEU 44 1HD1 LEU 44 -3.594 -0.974 11.079 302 HD12 LEU 44 2HD1 LEU 44 -2.316 -1.200 12.272 303 HD13 LEU 44 3HD1 LEU 44 -3.315 0.252 12.315 304 HD21 LEU 44 3HD2 LEU 44 -3.597 -0.088 14.464 305 HD22 LEU 44 1HD2 LEU 44 -4.478 -1.449 15.157 306 HD23 LEU 44 2HD2 LEU 44 -5.353 -0.170 14.313 307 H TYR 45 H TYR 45 -7.349 -3.050 10.388 308 HA TYR 45 HA TYR 45 -10.136 -2.504 11.180 309 HB2 TYR 45 1HB TYR 45 -8.833 -1.862 8.527 310 HB3 TYR 45 2HB TYR 45 -10.476 -1.458 9.011 311 HD1 TYR 45 2HD TYR 45 -6.916 -0.672 9.509 312 HD2 TYR 45 1HD TYR 45 -10.921 0.420 10.443 313 HE1 TYR 45 2HE TYR 45 -6.116 1.473 10.407 314 HE2 TYR 45 1HE TYR 45 -10.132 2.569 11.342 315 HH TYR 45 HH TYR 45 -7.632 4.010 10.732 316 H HIS 46 H HIS 46 -10.333 -4.827 11.500 317 HA HIS 46 HA HIS 46 -9.968 -6.682 9.394 318 HB2 HIS 46 1HB HIS 46 -10.325 -7.006 12.001 319 HB3 HIS 46 2HB HIS 46 -12.010 -7.176 11.516 320 HD2 HIS 46 2HD HIS 46 -8.639 -8.863 10.259 321 HE1 HIS 46 1HE HIS 46 -11.733 -11.760 10.441 322 HE2 HIS 46 2HE HIS 46 -9.287 -11.353 9.997 323 HA PRO 47 HA PRO 47 -13.495 -5.868 6.882 324 HB2 PRO 47 1HB PRO 47 -13.646 -8.259 5.604 325 HB3 PRO 47 2HB PRO 47 -12.406 -7.053 5.242 326 HG2 PRO 47 1HG PRO 47 -12.222 -9.504 6.951 327 HG3 PRO 47 2HG PRO 47 -11.059 -8.873 5.771 328 HD2 PRO 47 1HD PRO 47 -10.772 -8.506 8.438 329 HD3 PRO 47 2HD PRO 47 -10.217 -7.314 7.245 330 H ASP 48 H ASP 48 -13.442 -8.044 9.443 331 HA ASP 48 HA ASP 48 -16.261 -8.790 9.060 332 HB2 ASP 48 1HB ASP 48 -15.245 -10.800 9.488 333 HB3 ASP 48 2HB ASP 48 -13.966 -10.069 10.453 334 H ARG 49 H ARG 49 -14.046 -7.855 11.698 335 HA ARG 49 HA ARG 49 -15.833 -7.300 13.678 336 HB2 ARG 49 1HB ARG 49 -13.246 -5.980 12.917 337 HB3 ARG 49 2HB ARG 49 -14.177 -5.390 14.288 338 HG2 ARG 49 1HG ARG 49 -13.401 -8.274 14.048 339 HG3 ARG 49 2HG ARG 49 -12.312 -7.071 14.741 340 HD2 ARG 49 1HD ARG 49 -15.135 -7.463 15.703 341 HD3 ARG 49 2HD ARG 49 -13.768 -8.355 16.371 342 HE ARG 49 HE ARG 49 -13.054 -5.704 16.505 343 HH11 ARG 49 1HH1 ARG 49 -15.644 -7.678 17.736 344 HH12 ARG 49 2HH1 ARG 49 -15.878 -6.714 19.157 345 HH21 ARG 49 1HH2 ARG 49 -13.351 -4.428 18.371 346 HH22 ARG 49 2HH2 ARG 49 -14.573 -4.865 19.517 347 H ASN 50 H ASN 50 -14.809 -5.048 11.120 348 HA ASN 50 HA ASN 50 -16.806 -3.110 11.948 349 HB2 ASN 50 1HB ASN 50 -14.971 -2.988 9.548 350 HB3 ASN 50 2HB ASN 50 -15.837 -1.649 10.297 351 HD21 ASN 50 1HD2 ASN 50 -13.286 -4.013 10.786 352 HD22 ASN 50 2HD2 ASN 50 -12.400 -3.091 11.947 353 H SER 51 H SER 51 -18.794 -3.991 11.504 354 HA SER 51 HA SER 51 -19.413 -5.262 9.024 355 HB2 SER 51 1HB SER 51 -21.240 -4.169 11.178 356 HB3 SER 51 2HB SER 51 -21.752 -5.193 9.836 357 HG SER 51 HG SER 51 -19.649 -6.114 11.410 358 H GLY 52 H GLY 52 -19.809 -4.318 7.140 359 HA2 GLY 52 1HA GLY 52 -19.979 -2.546 5.639 360 HA3 GLY 52 2HA GLY 52 -21.546 -2.423 6.425 361 H SER 53 H SER 53 -18.168 -1.505 7.118 362 HA SER 53 HA SER 53 -19.127 0.938 8.394 363 HB2 SER 53 1HB SER 53 -16.527 -0.547 8.363 364 HB3 SER 53 2HB SER 53 -16.529 1.169 8.771 365 HG SER 53 HG SER 53 -17.510 0.744 10.604 366 H ALA 54 H ALA 54 -19.660 2.427 6.897 367 HA ALA 54 HA ALA 54 -18.494 2.778 4.386 368 HB1 ALA 54 3HB ALA 54 -19.416 5.298 5.309 369 HB2 ALA 54 1HB ALA 54 -20.206 4.174 4.203 370 HB3 ALA 54 2HB ALA 54 -20.496 4.054 5.939 371 H GLU 55 H GLU 55 -17.834 4.476 7.442 372 HA GLU 55 HA GLU 55 -15.895 6.238 6.472 373 HB2 GLU 55 1HB GLU 55 -16.305 5.030 9.205 374 HB3 GLU 55 2HB GLU 55 -15.075 6.242 8.879 375 HG2 GLU 55 1HG GLU 55 -17.974 6.698 8.260 376 HG3 GLU 55 2HG GLU 55 -17.275 7.052 9.839 377 H ALA 56 H ALA 56 -15.174 3.404 8.509 378 HA ALA 56 HA ALA 56 -12.495 3.215 8.137 379 HB1 ALA 56 3HB ALA 56 -13.981 1.730 9.547 380 HB2 ALA 56 1HB ALA 56 -14.243 0.768 8.092 381 HB3 ALA 56 2HB ALA 56 -12.617 0.940 8.756 382 H ALA 57 H ALA 57 -14.953 1.773 6.004 383 HA ALA 57 HA ALA 57 -13.534 0.402 4.189 384 HB1 ALA 57 3HB ALA 57 -15.121 1.660 2.448 385 HB2 ALA 57 1HB ALA 57 -15.714 0.441 3.575 386 HB3 ALA 57 2HB ALA 57 -15.905 2.154 3.948 387 H GLU 58 H GLU 58 -14.002 3.934 3.942 388 HA GLU 58 HA GLU 58 -12.552 4.549 1.751 389 HB2 GLU 58 1HB GLU 58 -12.357 6.044 4.371 390 HB3 GLU 58 2HB GLU 58 -12.009 6.698 2.777 391 HG2 GLU 58 1HG GLU 58 -14.477 5.970 2.284 392 HG3 GLU 58 2HG GLU 58 -14.626 6.062 4.038 393 H ARG 59 H ARG 59 -11.071 4.467 4.999 394 HA ARG 59 HA ARG 59 -8.438 4.746 4.266 395 HB2 ARG 59 1HB ARG 59 -9.624 4.457 6.617 396 HB3 ARG 59 2HB ARG 59 -9.082 2.794 6.428 397 HG2 ARG 59 1HG ARG 59 -6.787 3.529 6.227 398 HG3 ARG 59 2HG ARG 59 -7.298 5.216 6.309 399 HD2 ARG 59 1HD ARG 59 -7.982 3.294 8.501 400 HD3 ARG 59 2HD ARG 59 -6.401 4.070 8.445 401 HE ARG 59 HE ARG 59 -8.926 5.304 9.098 402 HH11 ARG 59 1HH1 ARG 59 -5.642 5.806 8.057 403 HH12 ARG 59 2HH1 ARG 59 -5.584 7.450 8.599 404 HH21 ARG 59 1HH2 ARG 59 -8.861 7.468 9.817 405 HH22 ARG 59 2HH2 ARG 59 -7.415 8.394 9.601 406 H PHE 60 H PHE 60 -10.086 1.633 4.841 407 HA PHE 60 HA PHE 60 -8.157 -0.144 4.197 408 HB2 PHE 60 1HB PHE 60 -10.685 -0.502 4.732 409 HB3 PHE 60 2HB PHE 60 -10.874 -0.528 2.982 410 HD1 PHE 60 1HD PHE 60 -9.017 -2.135 5.766 411 HD2 PHE 60 2HD PHE 60 -10.482 -2.480 1.785 412 HE1 PHE 60 1HE PHE 60 -8.373 -4.509 5.739 413 HE2 PHE 60 2HE PHE 60 -9.841 -4.855 1.751 414 HZ PHE 60 HZ PHE 60 -8.785 -5.873 3.730 415 H THR 61 H THR 61 -10.181 1.595 1.859 416 HA THR 61 HA THR 61 -9.212 0.418 -0.475 417 HB THR 61 HB THR 61 -10.192 3.251 -0.073 418 HG1 THR 61 1HG THR 61 -11.532 1.145 0.278 419 HG21 THR 61 3HG2 THR 61 -10.235 1.738 -2.665 420 HG22 THR 61 1HG2 THR 61 -8.830 2.693 -2.195 421 HG23 THR 61 2HG2 THR 61 -10.400 3.472 -2.389 422 H ARG 62 H ARG 62 -8.171 3.475 1.043 423 HA ARG 62 HA ARG 62 -6.090 4.062 -0.707 424 HB2 ARG 62 1HB ARG 62 -6.762 4.813 2.092 425 HB3 ARG 62 2HB ARG 62 -5.126 5.143 1.539 426 HG2 ARG 62 1HG ARG 62 -6.339 6.234 -0.496 427 HG3 ARG 62 2HG ARG 62 -7.708 6.304 0.615 428 HD2 ARG 62 1HD ARG 62 -6.668 8.345 0.962 429 HD3 ARG 62 2HD ARG 62 -6.011 7.351 2.262 430 HE ARG 62 HE ARG 62 -3.943 7.598 1.333 431 HH11 ARG 62 1HH1 ARG 62 -6.343 8.313 -1.085 432 HH12 ARG 62 2HH1 ARG 62 -5.187 8.830 -2.267 433 HH21 ARG 62 1HH2 ARG 62 -2.411 8.276 -0.214 434 HH22 ARG 62 2HH2 ARG 62 -2.950 8.808 -1.771 435 H ILE 63 H ILE 63 -5.897 2.406 2.446 436 HA ILE 63 HA ILE 63 -3.290 1.861 2.721 437 HB ILE 63 HB ILE 63 -5.504 -0.167 3.047 438 HG12 ILE 63 1HG1 ILE 63 -4.182 1.654 5.070 439 HG13 ILE 63 2HG1 ILE 63 -5.761 1.936 4.345 440 HG21 ILE 63 1HG2 ILE 63 -3.212 -0.458 4.796 441 HG22 ILE 63 2HG2 ILE 63 -4.033 -1.659 3.801 442 HG23 ILE 63 3HG2 ILE 63 -2.778 -0.641 3.097 443 HD11 ILE 63 3HD1 ILE 63 -6.227 1.007 6.425 444 HD12 ILE 63 1HD1 ILE 63 -6.401 -0.342 5.302 445 HD13 ILE 63 2HD1 ILE 63 -4.942 -0.192 6.281 446 H SER 64 H SER 64 -5.455 -0.106 0.683 447 HA SER 64 HA SER 64 -3.651 -1.936 -0.287 448 HB2 SER 64 1HB SER 64 -6.143 -0.715 -1.375 449 HB3 SER 64 2HB SER 64 -5.141 -1.653 -2.483 450 HG SER 64 HG SER 64 -6.814 -2.526 -0.578 451 H GLN 65 H GLN 65 -4.324 1.308 -1.562 452 HA GLN 65 HA GLN 65 -2.720 1.278 -3.807 453 HB2 GLN 65 1HB GLN 65 -3.083 3.617 -1.928 454 HB3 GLN 65 2HB GLN 65 -2.624 3.700 -3.624 455 HG2 GLN 65 1HG GLN 65 -4.910 2.403 -3.925 456 HG3 GLN 65 2HG GLN 65 -5.271 3.197 -2.393 457 HE21 GLN 65 1HE2 GLN 65 -6.943 4.146 -3.868 458 HE22 GLN 65 2HE2 GLN 65 -6.526 5.605 -4.694 459 H ALA 66 H ALA 66 -1.793 2.202 -0.499 460 HA ALA 66 HA ALA 66 0.837 2.897 -0.914 461 HB1 ALA 66 3HB ALA 66 -0.586 1.653 1.401 462 HB2 ALA 66 1HB ALA 66 1.162 1.886 1.460 463 HB3 ALA 66 2HB ALA 66 0.094 3.273 1.239 464 H TYR 67 H TYR 67 -0.603 -0.273 -0.940 465 HA TYR 67 HA TYR 67 2.006 -1.582 -0.977 466 HB2 TYR 67 1HB TYR 67 -0.066 -2.444 0.300 467 HB3 TYR 67 2HB TYR 67 -0.647 -2.971 -1.275 468 HD1 TYR 67 1HD TYR 67 2.753 -3.048 0.274 469 HD2 TYR 67 2HD TYR 67 -0.477 -5.276 -1.374 470 HE1 TYR 67 1HE TYR 67 4.076 -5.111 0.483 471 HE2 TYR 67 2HE TYR 67 0.838 -7.344 -1.168 472 HH TYR 67 HH TYR 67 3.008 -8.127 -0.898 473 H VAL 68 H VAL 68 1.073 0.167 -3.170 474 HA VAL 68 HA VAL 68 1.230 -1.807 -5.353 475 HB VAL 68 HB VAL 68 -0.363 0.756 -5.291 476 HG11 VAL 68 1HG1 VAL 68 0.725 -0.798 -7.548 477 HG12 VAL 68 2HG1 VAL 68 -0.974 -0.337 -7.675 478 HG13 VAL 68 3HG1 VAL 68 0.262 0.901 -7.455 479 HG21 VAL 68 3HG2 VAL 68 -1.873 -1.414 -6.234 480 HG22 VAL 68 1HG2 VAL 68 -0.994 -2.003 -4.823 481 HG23 VAL 68 2HG2 VAL 68 -2.031 -0.583 -4.686 482 H VAL 69 H VAL 69 1.621 1.693 -4.758 483 HA VAL 69 HA VAL 69 3.518 2.051 -6.834 484 HB VAL 69 HB VAL 69 3.018 3.794 -4.417 485 HG11 VAL 69 1HG1 VAL 69 4.069 4.790 -7.025 486 HG12 VAL 69 2HG1 VAL 69 4.260 5.460 -5.403 487 HG13 VAL 69 3HG1 VAL 69 5.174 4.029 -5.881 488 HG21 VAL 69 3HG2 VAL 69 1.860 5.056 -6.526 489 HG22 VAL 69 1HG2 VAL 69 1.547 3.366 -6.920 490 HG23 VAL 69 2HG2 VAL 69 0.999 4.028 -5.380 491 H LEU 70 H LEU 70 3.783 1.321 -3.412 492 HA LEU 70 HA LEU 70 6.692 1.533 -3.510 493 HB2 LEU 70 1HB LEU 70 5.069 0.656 -1.145 494 HB3 LEU 70 2HB LEU 70 6.678 1.376 -1.169 495 HG LEU 70 HG LEU 70 4.290 2.948 -2.067 496 HD11 LEU 70 1HD1 LEU 70 5.174 3.301 0.716 497 HD12 LEU 70 2HD1 LEU 70 4.275 1.821 0.384 498 HD13 LEU 70 3HD1 LEU 70 3.559 3.389 0.013 499 HD21 LEU 70 3HD2 LEU 70 7.087 3.413 -1.737 500 HD22 LEU 70 1HD2 LEU 70 6.193 4.445 -0.620 501 HD23 LEU 70 2HD2 LEU 70 5.844 4.505 -2.348 502 H GLY 71 H GLY 71 4.178 -0.832 -3.615 503 HA2 GLY 71 1HA GLY 71 5.268 -3.128 -2.641 504 HA3 GLY 71 2HA GLY 71 4.304 -3.081 -4.110 505 H SER 72 H SER 72 6.143 -1.527 -5.658 506 HA SER 72 HA SER 72 8.239 -3.555 -6.062 507 HB2 SER 72 1HB SER 72 6.836 -1.730 -8.018 508 HB3 SER 72 2HB SER 72 8.288 -2.640 -8.431 509 HG SER 72 HG SER 72 5.738 -3.628 -7.712 510 H ALA 73 H ALA 73 10.310 -2.979 -5.893 511 HA ALA 73 HA ALA 73 11.126 -0.552 -4.813 512 HB1 ALA 73 3HB ALA 73 13.158 -1.900 -6.439 513 HB2 ALA 73 1HB ALA 73 13.158 -1.496 -4.722 514 HB3 ALA 73 2HB ALA 73 12.327 -2.946 -5.288 515 H THR 74 H THR 74 11.009 -1.602 -8.185 516 HA THR 74 HA THR 74 12.379 0.518 -9.362 517 HB THR 74 HB THR 74 10.002 -0.921 -10.554 518 HG1 THR 74 1HG THR 74 12.066 -2.095 -9.690 519 HG21 THR 74 3HG2 THR 74 12.020 0.961 -11.582 520 HG22 THR 74 1HG2 THR 74 10.400 0.599 -12.177 521 HG23 THR 74 2HG2 THR 74 11.747 -0.467 -12.580 522 H LEU 75 H LEU 75 8.855 0.164 -8.924 523 HA LEU 75 HA LEU 75 8.000 2.557 -9.937 524 HB2 LEU 75 1HB LEU 75 6.962 1.221 -7.442 525 HB3 LEU 75 2HB LEU 75 6.094 2.401 -8.421 526 HG LEU 75 HG LEU 75 6.956 -0.307 -9.427 527 HD11 LEU 75 1HD1 LEU 75 4.170 0.463 -8.622 528 HD12 LEU 75 2HD1 LEU 75 5.290 -0.308 -7.499 529 HD13 LEU 75 3HD1 LEU 75 4.814 -1.140 -8.979 530 HD21 LEU 75 3HD2 LEU 75 5.163 1.853 -10.514 531 HD22 LEU 75 1HD2 LEU 75 5.194 0.205 -11.142 532 HD23 LEU 75 2HD2 LEU 75 6.641 1.209 -11.229 533 H ARG 76 H ARG 76 8.801 1.989 -6.505 534 HA ARG 76 HA ARG 76 8.497 4.454 -5.445 535 HB2 ARG 76 1HB ARG 76 10.744 2.494 -4.976 536 HB3 ARG 76 2HB ARG 76 10.507 3.932 -3.991 537 HG2 ARG 76 1HG ARG 76 8.158 3.056 -3.559 538 HG3 ARG 76 2HG ARG 76 8.728 1.532 -4.244 539 HD2 ARG 76 1HD ARG 76 10.258 2.883 -2.055 540 HD3 ARG 76 2HD ARG 76 8.844 1.899 -1.680 541 HE ARG 76 HE ARG 76 10.034 0.005 -2.244 542 HH11 ARG 76 1HH1 ARG 76 11.821 2.856 -3.138 543 HH12 ARG 76 2HH1 ARG 76 13.288 1.993 -3.462 544 HH21 ARG 76 1HH2 ARG 76 11.960 -1.142 -2.667 545 HH22 ARG 76 2HH2 ARG 76 13.366 -0.281 -3.195 546 H ARG 77 H ARG 77 11.284 3.381 -7.355 547 HA ARG 77 HA ARG 77 12.714 5.826 -7.129 548 HB2 ARG 77 1HB ARG 77 12.931 3.607 -9.171 549 HB3 ARG 77 2HB ARG 77 14.079 4.928 -8.998 550 HG2 ARG 77 1HG ARG 77 14.817 4.153 -6.905 551 HG3 ARG 77 2HG ARG 77 13.445 3.056 -6.740 552 HD2 ARG 77 1HD ARG 77 15.181 1.635 -7.336 553 HD3 ARG 77 2HD ARG 77 14.372 1.939 -8.872 554 HE ARG 77 HE ARG 77 16.366 3.846 -8.629 555 HH11 ARG 77 1HH1 ARG 77 16.128 0.379 -8.832 556 HH12 ARG 77 2HH1 ARG 77 17.671 0.187 -9.596 557 HH21 ARG 77 1HH2 ARG 77 18.399 3.607 -9.635 558 HH22 ARG 77 2HH2 ARG 77 18.963 2.024 -10.051 559 H LYS 78 H LYS 78 10.563 4.475 -9.599 560 HA LYS 78 HA LYS 78 10.820 6.351 -11.594 561 HB2 LYS 78 1HB LYS 78 8.408 4.817 -10.638 562 HB3 LYS 78 2HB LYS 78 8.351 5.860 -12.053 563 HG2 LYS 78 1HG LYS 78 10.466 4.420 -12.738 564 HG3 LYS 78 2HG LYS 78 9.693 3.246 -11.670 565 HD2 LYS 78 1HD LYS 78 7.886 2.982 -13.044 566 HD3 LYS 78 2HD LYS 78 7.996 4.622 -13.685 567 HE2 LYS 78 1HE LYS 78 10.049 2.517 -14.308 568 HE3 LYS 78 2HE LYS 78 8.579 2.703 -15.263 569 HZ1 LYS 78 3HZ LYS 78 10.586 3.908 -16.114 570 HZ2 LYS 78 1HZ LYS 78 10.468 4.932 -14.772 571 HZ3 LYS 78 2HZ LYS 78 9.211 4.870 -15.901 572 H TYR 79 H TYR 79 8.315 6.444 -9.051 573 HA TYR 79 HA TYR 79 7.233 8.901 -9.571 574 HB2 TYR 79 1HB TYR 79 6.422 7.318 -7.837 575 HB3 TYR 79 2HB TYR 79 7.771 7.790 -6.809 576 HD1 TYR 79 1HD TYR 79 4.716 9.078 -8.476 577 HD2 TYR 79 2HD TYR 79 7.633 9.701 -5.442 578 HE1 TYR 79 1HE TYR 79 3.369 10.925 -7.569 579 HE2 TYR 79 2HE TYR 79 6.294 11.549 -4.525 580 HH TYR 79 HH TYR 79 3.067 12.160 -5.540 581 H ASP 80 H ASP 80 10.240 8.183 -7.903 582 HA ASP 80 HA ASP 80 10.798 10.667 -6.790 583 HB2 ASP 80 1HB ASP 80 12.088 8.434 -6.596 584 HB3 ASP 80 2HB ASP 80 12.940 8.968 -8.043 585 H ARG 81 H ARG 81 11.705 9.436 -10.006 586 HA ARG 81 HA ARG 81 12.647 12.064 -10.800 587 HB2 ARG 81 1HB ARG 81 12.386 9.759 -12.693 588 HB3 ARG 81 2HB ARG 81 13.592 11.038 -12.657 589 HG2 ARG 81 1HG ARG 81 13.397 8.829 -10.622 590 HG3 ARG 81 2HG ARG 81 14.468 8.812 -12.024 591 HD2 ARG 81 1HD ARG 81 14.510 10.713 -9.690 592 HD3 ARG 81 2HD ARG 81 15.747 9.544 -10.151 593 HE ARG 81 HE ARG 81 15.632 11.126 -12.316 594 HH11 ARG 81 1HH1 ARG 81 15.884 11.837 -8.917 595 HH12 ARG 81 2HH1 ARG 81 16.778 13.302 -9.157 596 HH21 ARG 81 1HH2 ARG 81 16.808 13.052 -12.644 597 HH22 ARG 81 2HH2 ARG 81 17.302 13.993 -11.277 598 H GLY 82 H GLY 82 9.688 10.922 -10.412 599 HA2 GLY 82 1HA GLY 82 7.647 11.658 -11.186 600 HA3 GLY 82 2HA GLY 82 8.508 12.777 -12.233 601 H LEU 83 H LEU 83 8.933 9.286 -12.232 602 HA LEU 83 HA LEU 83 8.123 9.244 -15.038 603 HB2 LEU 83 1HB LEU 83 9.369 7.032 -13.420 604 HB3 LEU 83 2HB LEU 83 9.220 7.118 -15.174 605 HG LEU 83 HG LEU 83 10.793 9.228 -13.781 606 HD11 LEU 83 1HD1 LEU 83 12.726 7.436 -14.361 607 HD12 LEU 83 2HD1 LEU 83 11.445 6.361 -13.804 608 HD13 LEU 83 3HD1 LEU 83 12.028 7.654 -12.756 609 HD21 LEU 83 3HD2 LEU 83 10.581 8.005 -16.468 610 HD22 LEU 83 1HD2 LEU 83 12.179 8.551 -15.959 611 HD23 LEU 83 2HD2 LEU 83 10.832 9.688 -16.001 612 H LEU 84 H LEU 84 6.846 8.557 -12.002 613 HA LEU 84 HA LEU 84 5.116 6.400 -12.870 614 HB2 LEU 84 1HB LEU 84 6.058 6.533 -10.569 615 HB3 LEU 84 2HB LEU 84 5.062 7.961 -10.293 616 HG LEU 84 HG LEU 84 3.131 6.263 -10.988 617 HD11 LEU 84 1HD1 LEU 84 5.367 4.577 -10.850 618 HD12 LEU 84 2HD1 LEU 84 3.671 4.114 -10.986 619 HD13 LEU 84 3HD1 LEU 84 4.421 4.257 -9.396 620 HD21 LEU 84 3HD2 LEU 84 2.727 5.908 -8.622 621 HD22 LEU 84 1HD2 LEU 84 3.292 7.555 -8.904 622 HD23 LEU 84 2HD2 LEU 84 4.396 6.345 -8.249 623 H SER 85 H SER 85 3.278 6.731 -13.915 624 HA SER 85 HA SER 85 1.945 9.341 -13.631 625 HB2 SER 85 1HB SER 85 2.094 7.397 -15.928 626 HB3 SER 85 2HB SER 85 0.836 8.631 -15.849 627 HG SER 85 HG SER 85 2.680 10.137 -15.545 628 H ASP 86 H ASP 86 -0.499 9.134 -14.193 629 HA ASP 86 HA ASP 86 -1.789 7.819 -12.142 630 HB2 ASP 86 1HB ASP 86 -3.876 8.133 -13.482 631 HB3 ASP 86 2HB ASP 86 -2.892 9.588 -13.351 632 H GLU 87 H GLU 87 -1.441 6.744 -15.515 633 HA GLU 87 HA GLU 87 -2.881 4.472 -15.605 634 HB2 GLU 87 1HB GLU 87 -0.139 5.064 -16.674 635 HB3 GLU 87 2HB GLU 87 -0.871 3.487 -16.933 636 HG2 GLU 87 1HG GLU 87 -2.895 4.949 -17.777 637 HG3 GLU 87 2HG GLU 87 -1.618 6.133 -18.047 638 H ASP 88 H ASP 88 0.378 4.699 -14.197 639 HA ASP 88 HA ASP 88 0.430 1.991 -13.321 640 HB2 ASP 88 1HB ASP 88 2.079 4.370 -12.441 641 HB3 ASP 88 2HB ASP 88 2.420 2.694 -12.018 642 H LEU 89 H LEU 89 -0.326 5.068 -11.746 643 HA LEU 89 HA LEU 89 -0.569 4.194 -9.124 644 HB2 LEU 89 1HB LEU 89 -1.963 6.356 -10.667 645 HB3 LEU 89 2HB LEU 89 -2.312 6.070 -8.964 646 HG LEU 89 HG LEU 89 0.481 6.613 -9.922 647 HD11 LEU 89 1HD1 LEU 89 -0.227 8.987 -8.936 648 HD12 LEU 89 2HD1 LEU 89 -1.779 8.498 -9.616 649 HD13 LEU 89 3HD1 LEU 89 -0.353 8.589 -10.650 650 HD21 LEU 89 3HD2 LEU 89 0.099 5.680 -7.654 651 HD22 LEU 89 1HD2 LEU 89 -0.870 7.102 -7.272 652 HD23 LEU 89 2HD2 LEU 89 0.845 7.278 -7.641 653 H ARG 90 H ARG 90 -3.157 4.475 -11.562 654 HA ARG 90 HA ARG 90 -5.051 3.102 -9.899 655 HB2 ARG 90 1HB ARG 90 -6.529 3.234 -11.874 656 HB3 ARG 90 2HB ARG 90 -5.827 4.792 -11.458 657 HG2 ARG 90 1HG ARG 90 -4.340 4.726 -13.282 658 HG3 ARG 90 2HG ARG 90 -4.650 3.013 -13.569 659 HD2 ARG 90 1HD ARG 90 -6.756 3.422 -14.478 660 HD3 ARG 90 2HD ARG 90 -6.863 5.023 -13.749 661 HE ARG 90 HE ARG 90 -4.723 5.082 -15.510 662 HH11 ARG 90 1HH1 ARG 90 -8.168 4.598 -15.647 663 HH12 ARG 90 2HH1 ARG 90 -8.326 5.240 -17.248 664 HH21 ARG 90 1HH2 ARG 90 -4.918 5.930 -17.618 665 HH22 ARG 90 2HH2 ARG 90 -6.477 5.997 -18.369 666 H GLY 91 H GLY 91 -2.862 2.239 -12.489 667 HA2 GLY 91 1HA GLY 91 -2.027 0.009 -12.694 668 HA3 GLY 91 2HA GLY 91 -3.540 -0.584 -12.025 669 HA PRO 92 HA PRO 92 -3.528 -1.006 -16.694 670 HB2 PRO 92 1HB PRO 92 -3.943 -3.689 -16.735 671 HB3 PRO 92 2HB PRO 92 -2.330 -2.967 -16.678 672 HG2 PRO 92 1HG PRO 92 -3.974 -4.107 -14.451 673 HG3 PRO 92 2HG PRO 92 -2.242 -4.304 -14.778 674 HD2 PRO 92 1HD PRO 92 -3.187 -2.574 -12.922 675 HD3 PRO 92 2HD PRO 92 -1.707 -2.262 -13.852 676 H GLY 93 H GLY 93 -5.525 -2.504 -14.176 677 HA2 GLY 93 1HA GLY 93 -7.878 -1.827 -14.091 678 HA3 GLY 93 2HA GLY 93 -7.890 -1.917 -15.846 679 H SER 94 H SER 94 -7.927 -3.744 -12.871 680 HA SER 94 HA SER 94 -7.941 -6.323 -14.078 681 HB2 SER 94 1HB SER 94 -7.338 -5.810 -11.673 682 HB3 SER 94 2HB SER 94 -9.061 -5.600 -11.364 683 HG SER 94 HG SER 94 -7.606 -7.913 -11.850 684 H GLY 95 H GLY 95 -10.499 -4.207 -12.805 685 HA2 GLY 95 1HA GLY 95 -12.545 -4.123 -14.217 686 HA3 GLY 95 2HA GLY 95 -12.452 -5.877 -14.267 687 HA PRO 96 HA PRO 96 -14.822 -4.117 -10.463 688 HB2 PRO 96 1HB PRO 96 -17.343 -3.948 -11.454 689 HB3 PRO 96 2HB PRO 96 -16.211 -2.591 -11.472 690 HG2 PRO 96 1HG PRO 96 -16.921 -4.494 -13.671 691 HG3 PRO 96 2HG PRO 96 -16.706 -2.735 -13.739 692 HD2 PRO 96 1HD PRO 96 -14.790 -4.470 -14.546 693 HD3 PRO 96 2HD PRO 96 -14.408 -2.893 -13.824 694 H SER 97 H SER 97 -15.184 -6.579 -12.831 695 HA SER 97 HA SER 97 -17.130 -8.148 -11.437 696 HB2 SER 97 1HB SER 97 -16.489 -9.928 -13.059 697 HB3 SER 97 2HB SER 97 -16.895 -8.399 -13.841 698 HG SER 97 HG SER 97 -14.319 -9.482 -13.368 699 H SER 98 H SER 98 -16.426 -10.581 -11.050 700 HA SER 98 HA SER 98 -13.827 -10.755 -9.744 701 HB2 SER 98 1HB SER 98 -14.657 -11.338 -7.600 702 HB3 SER 98 2HB SER 98 -15.568 -9.904 -8.073 703 HG SER 98 HG SER 98 -17.051 -11.356 -7.340 704 H GLY 99 H GLY 99 -12.959 -12.758 -9.839 705 HA2 GLY 99 1HA GLY 99 -13.528 -15.212 -9.668 706 HA3 GLY 99 2HA GLY 99 -14.681 -14.884 -10.952 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 17.395 19.732 0.509 2 HA2 GLY 1 1HA GLY 1 19.061 19.065 2.488 3 HA3 GLY 1 2HA GLY 1 17.749 20.202 2.760 4 H SER 2 H SER 2 18.856 16.929 3.200 5 HA SER 2 HA SER 2 16.481 16.319 4.817 6 HB2 SER 2 1HB SER 2 17.085 13.990 4.612 7 HB3 SER 2 2HB SER 2 17.144 14.716 3.006 8 HG SER 2 HG SER 2 19.519 15.056 3.780 9 H SER 3 H SER 3 17.166 17.627 6.591 10 HA SER 3 HA SER 3 19.443 16.519 8.096 11 HB2 SER 3 1HB SER 3 18.279 19.290 7.965 12 HB3 SER 3 2HB SER 3 19.242 18.781 9.351 13 HG SER 3 HG SER 3 20.922 19.173 8.172 14 H GLY 4 H GLY 4 19.169 16.843 10.542 15 HA2 GLY 4 1HA GLY 4 16.884 15.364 11.360 16 HA3 GLY 4 2HA GLY 4 18.088 16.078 12.422 17 H SER 5 H SER 5 15.035 16.552 10.805 18 HA SER 5 HA SER 5 14.298 18.540 12.779 19 HB2 SER 5 1HB SER 5 15.385 19.752 10.796 20 HB3 SER 5 2HB SER 5 13.964 19.266 9.870 21 HG SER 5 HG SER 5 14.145 21.015 12.068 22 H SER 6 H SER 6 12.020 18.936 12.862 23 HA SER 6 HA SER 6 10.451 16.807 11.565 24 HB2 SER 6 1HB SER 6 9.140 16.604 13.475 25 HB3 SER 6 2HB SER 6 10.723 16.957 14.167 26 HG SER 6 HG SER 6 9.922 19.257 14.007 27 H GLY 7 H GLY 7 9.313 17.568 9.908 28 HA2 GLY 7 1HA GLY 7 8.047 20.223 10.204 29 HA3 GLY 7 2HA GLY 7 8.677 19.627 8.675 30 H SER 8 H SER 8 7.246 18.784 7.322 31 HA SER 8 HA SER 8 5.225 18.113 6.494 32 HB2 SER 8 1HB SER 8 6.240 16.020 7.567 33 HB3 SER 8 2HB SER 8 5.111 16.288 8.895 34 HG SER 8 HG SER 8 3.578 15.507 7.699 35 H GLN 9 H GLN 9 5.007 20.420 8.044 36 HA GLN 9 HA GLN 9 3.218 20.530 10.099 37 HB2 GLN 9 1HB GLN 9 3.560 22.372 7.739 38 HB3 GLN 9 2HB GLN 9 2.460 22.740 9.061 39 HG2 GLN 9 1HG GLN 9 4.452 22.467 10.603 40 HG3 GLN 9 2HG GLN 9 5.447 22.480 9.148 41 HE21 GLN 9 1HE2 GLN 9 4.210 24.347 11.553 42 HE22 GLN 9 2HE2 GLN 9 4.303 25.896 10.794 43 H GLY 10 H GLY 10 2.377 20.522 6.633 44 HA2 GLY 10 1HA GLY 10 0.240 18.809 6.738 45 HA3 GLY 10 2HA GLY 10 -0.438 20.376 7.154 46 H ASP 11 H ASP 11 1.546 18.763 4.688 47 HA ASP 11 HA ASP 11 0.160 20.376 2.659 48 HB2 ASP 11 1HB ASP 11 3.097 19.702 2.482 49 HB3 ASP 11 2HB ASP 11 2.176 20.798 1.456 50 H CYS 12 H CYS 12 -0.697 19.196 1.077 51 HA CYS 12 HA CYS 12 0.278 16.438 0.719 52 HB2 CYS 12 1HB CYS 12 -2.524 17.547 0.540 53 HB3 CYS 12 2HB CYS 12 -2.084 15.962 -0.085 54 HG CYS 12 HG CYS 12 -0.932 15.867 2.875 55 H SER 13 H SER 13 1.439 18.556 -0.665 56 HA SER 13 HA SER 13 0.238 18.824 -3.262 57 HB2 SER 13 1HB SER 13 1.814 20.487 -2.023 58 HB3 SER 13 2HB SER 13 3.111 19.481 -2.669 59 HG SER 13 HG SER 13 1.837 21.408 -3.903 60 H TYR 14 H TYR 14 2.539 16.709 -1.759 61 HA TYR 14 HA TYR 14 2.879 15.314 -4.330 62 HB2 TYR 14 1HB TYR 14 5.160 14.628 -3.455 63 HB3 TYR 14 2HB TYR 14 4.992 16.317 -3.919 64 HD1 TYR 14 1HD TYR 14 4.289 17.928 -1.935 65 HD2 TYR 14 2HD TYR 14 6.168 14.144 -1.435 66 HE1 TYR 14 1HE TYR 14 5.080 18.621 0.289 67 HE2 TYR 14 2HE TYR 14 6.963 14.826 0.790 68 HH TYR 14 HH TYR 14 6.813 16.377 2.404 69 H SER 15 H SER 15 2.453 15.136 -0.876 70 HA SER 15 HA SER 15 2.136 13.366 0.556 71 HB2 SER 15 1HB SER 15 0.383 12.538 -1.770 72 HB3 SER 15 2HB SER 15 0.232 11.951 -0.115 73 HG SER 15 HG SER 15 -1.202 13.606 -0.300 74 H ARG 16 H ARG 16 4.519 12.988 -0.734 75 HA ARG 16 HA ARG 16 4.653 10.389 -1.948 76 HB2 ARG 16 1HB ARG 16 6.239 12.175 -2.543 77 HB3 ARG 16 2HB ARG 16 6.861 12.168 -0.899 78 HG2 ARG 16 1HG ARG 16 7.416 9.708 -1.312 79 HG3 ARG 16 2HG ARG 16 7.151 10.073 -3.019 80 HD2 ARG 16 1HD ARG 16 8.954 11.536 -3.114 81 HD3 ARG 16 2HD ARG 16 8.976 11.775 -1.367 82 HE ARG 16 HE ARG 16 9.584 9.086 -2.202 83 HH11 ARG 16 1HH1 ARG 16 10.863 12.250 -1.516 84 HH12 ARG 16 2HH1 ARG 16 12.464 11.675 -1.189 85 HH21 ARG 16 1HH2 ARG 16 11.688 8.316 -1.774 86 HH22 ARG 16 2HH2 ARG 16 12.932 9.437 -1.336 87 H THR 17 H THR 17 5.774 11.750 1.148 88 HA THR 17 HA THR 17 6.578 9.224 2.197 89 HB THR 17 HB THR 17 5.906 11.484 4.025 90 HG1 THR 17 1HG THR 17 8.092 12.311 3.382 91 HG21 THR 17 3HG2 THR 17 8.080 9.416 3.809 92 HG22 THR 17 1HG2 THR 17 6.882 9.617 5.087 93 HG23 THR 17 2HG2 THR 17 8.192 10.785 4.915 94 H ALA 18 H ALA 18 3.562 10.602 1.717 95 HA ALA 18 HA ALA 18 2.127 9.863 4.002 96 HB1 ALA 18 3HB ALA 18 0.288 10.503 2.856 97 HB2 ALA 18 1HB ALA 18 1.488 11.165 1.746 98 HB3 ALA 18 2HB ALA 18 0.742 9.603 1.408 99 H LEU 19 H LEU 19 2.503 8.085 0.931 100 HA LEU 19 HA LEU 19 1.093 5.811 1.530 101 HB2 LEU 19 1HB LEU 19 3.735 5.663 0.120 102 HB3 LEU 19 2HB LEU 19 2.274 4.721 -0.173 103 HG LEU 19 HG LEU 19 2.796 7.590 -0.929 104 HD11 LEU 19 1HD1 LEU 19 2.422 5.026 -2.440 105 HD12 LEU 19 2HD1 LEU 19 3.746 6.186 -2.539 106 HD13 LEU 19 3HD1 LEU 19 2.162 6.598 -3.196 107 HD21 LEU 19 3HD2 LEU 19 0.491 7.252 -0.039 108 HD22 LEU 19 1HD2 LEU 19 0.235 6.045 -1.300 109 HD23 LEU 19 2HD2 LEU 19 0.549 7.725 -1.737 110 H TYR 20 H TYR 20 3.996 6.907 2.970 111 HA TYR 20 HA TYR 20 4.744 4.288 3.984 112 HB2 TYR 20 1HB TYR 20 5.944 7.012 4.525 113 HB3 TYR 20 2HB TYR 20 6.623 5.472 5.040 114 HD1 TYR 20 2HD TYR 20 5.670 7.395 2.000 115 HD2 TYR 20 1HD TYR 20 8.095 4.311 3.646 116 HE1 TYR 20 2HE TYR 20 6.897 7.233 -0.126 117 HE2 TYR 20 1HE TYR 20 9.330 4.141 1.525 118 HH TYR 20 HH TYR 20 8.575 6.272 -1.215 119 H ASP 21 H ASP 21 3.745 7.430 5.326 120 HA ASP 21 HA ASP 21 3.636 6.746 8.003 121 HB2 ASP 21 1HB ASP 21 3.349 9.041 7.223 122 HB3 ASP 21 2HB ASP 21 1.810 8.616 6.478 123 H LEU 22 H LEU 22 1.391 6.003 5.430 124 HA LEU 22 HA LEU 22 -0.826 5.251 6.977 125 HB2 LEU 22 1HB LEU 22 0.138 4.611 4.230 126 HB3 LEU 22 2HB LEU 22 -1.203 3.686 4.901 127 HG LEU 22 HG LEU 22 -2.167 6.115 5.353 128 HD11 LEU 22 1HD1 LEU 22 -0.191 6.472 3.119 129 HD12 LEU 22 2HD1 LEU 22 -0.387 7.442 4.578 130 HD13 LEU 22 3HD1 LEU 22 -1.608 7.506 3.307 131 HD21 LEU 22 3HD2 LEU 22 -2.909 4.125 3.813 132 HD22 LEU 22 1HD2 LEU 22 -2.324 5.182 2.528 133 HD23 LEU 22 2HD2 LEU 22 -3.605 5.733 3.608 134 H LEU 23 H LEU 23 1.994 3.424 5.884 135 HA LEU 23 HA LEU 23 1.036 1.007 7.186 136 HB2 LEU 23 1HB LEU 23 3.290 1.704 5.374 137 HB3 LEU 23 2HB LEU 23 3.456 0.285 6.406 138 HG LEU 23 HG LEU 23 1.425 -0.667 5.395 139 HD11 LEU 23 1HD1 LEU 23 1.489 1.882 3.809 140 HD12 LEU 23 2HD1 LEU 23 0.159 1.201 4.745 141 HD13 LEU 23 3HD1 LEU 23 0.659 0.435 3.237 142 HD21 LEU 23 3HD2 LEU 23 3.842 -0.883 4.463 143 HD22 LEU 23 1HD2 LEU 23 3.224 0.098 3.134 144 HD23 LEU 23 2HD2 LEU 23 2.481 -1.459 3.500 145 H GLY 24 H GLY 24 3.980 3.025 7.364 146 HA2 GLY 24 1HA GLY 24 4.584 3.833 9.631 147 HA3 GLY 24 2HA GLY 24 4.209 2.212 10.197 148 H VAL 25 H VAL 25 5.916 2.886 7.209 149 HA VAL 25 HA VAL 25 8.345 1.733 8.420 150 HB VAL 25 HB VAL 25 8.928 0.941 6.130 151 HG11 VAL 25 1HG1 VAL 25 6.263 -0.166 6.967 152 HG12 VAL 25 2HG1 VAL 25 7.634 -1.017 6.252 153 HG13 VAL 25 3HG1 VAL 25 7.728 -0.428 7.912 154 HG21 VAL 25 3HG2 VAL 25 7.021 2.663 5.260 155 HG22 VAL 25 1HG2 VAL 25 7.659 1.320 4.311 156 HG23 VAL 25 2HG2 VAL 25 6.147 1.132 5.199 157 HA PRO 26 HA PRO 26 10.539 5.391 7.361 158 HB2 PRO 26 1HB PRO 26 13.034 4.374 7.029 159 HB3 PRO 26 2HB PRO 26 12.272 4.551 8.614 160 HG2 PRO 26 1HG PRO 26 12.512 2.116 6.889 161 HG3 PRO 26 2HG PRO 26 12.738 2.273 8.640 162 HD2 PRO 26 1HD PRO 26 10.462 1.298 7.547 163 HD3 PRO 26 2HD PRO 26 10.474 2.219 9.064 164 H SER 27 H SER 27 11.579 6.480 5.636 165 HA SER 27 HA SER 27 10.727 5.781 3.069 166 HB2 SER 27 1HB SER 27 11.356 8.087 3.837 167 HB3 SER 27 2HB SER 27 13.049 7.605 3.731 168 HG SER 27 HG SER 27 12.714 8.418 1.774 169 H THR 28 H THR 28 13.329 4.594 4.880 170 HA THR 28 HA THR 28 14.607 3.512 2.453 171 HB THR 28 HB THR 28 16.680 3.305 3.696 172 HG1 THR 28 1HG THR 28 16.579 3.242 5.800 173 HG21 THR 28 3HG2 THR 28 16.806 5.875 4.433 174 HG22 THR 28 1HG2 THR 28 15.311 5.927 3.499 175 HG23 THR 28 2HG2 THR 28 16.804 5.368 2.744 176 H ALA 29 H ALA 29 12.305 2.495 4.112 177 HA ALA 29 HA ALA 29 13.063 0.294 5.657 178 HB1 ALA 29 3HB ALA 29 10.833 -0.342 5.635 179 HB2 ALA 29 1HB ALA 29 10.747 1.395 5.343 180 HB3 ALA 29 2HB ALA 29 10.571 0.265 4.000 181 H THR 30 H THR 30 12.140 -2.006 4.851 182 HA THR 30 HA THR 30 13.415 -2.570 2.255 183 HB THR 30 HB THR 30 14.971 -3.443 3.776 184 HG1 THR 30 1HG THR 30 13.960 -5.005 2.192 185 HG21 THR 30 3HG2 THR 30 13.437 -3.186 5.763 186 HG22 THR 30 1HG2 THR 30 14.471 -4.613 5.788 187 HG23 THR 30 2HG2 THR 30 12.768 -4.765 5.353 188 H GLN 31 H GLN 31 12.531 -4.260 1.026 189 HA GLN 31 HA GLN 31 9.889 -4.480 0.704 190 HB2 GLN 31 1HB GLN 31 11.700 -5.616 -0.653 191 HB3 GLN 31 2HB GLN 31 11.648 -6.925 0.520 192 HG2 GLN 31 1HG GLN 31 10.316 -7.590 -1.310 193 HG3 GLN 31 2HG GLN 31 9.211 -7.170 -0.003 194 HE21 GLN 31 1HE2 GLN 31 10.744 -5.847 -2.899 195 HE22 GLN 31 2HE2 GLN 31 9.425 -4.825 -3.347 196 H ALA 32 H ALA 32 11.752 -6.241 3.117 197 HA ALA 32 HA ALA 32 9.765 -8.001 4.001 198 HB1 ALA 32 3HB ALA 32 11.521 -6.994 6.111 199 HB2 ALA 32 1HB ALA 32 11.291 -8.636 5.509 200 HB3 ALA 32 2HB ALA 32 12.373 -7.530 4.663 201 H GLN 33 H GLN 33 10.620 -4.750 5.166 202 HA GLN 33 HA GLN 33 8.590 -4.667 7.152 203 HB2 GLN 33 1HB GLN 33 10.177 -2.469 5.821 204 HB3 GLN 33 2HB GLN 33 9.079 -2.205 7.169 205 HG2 GLN 33 1HG GLN 33 10.434 -3.766 8.524 206 HG3 GLN 33 2HG GLN 33 11.569 -3.893 7.181 207 HE21 GLN 33 1HE2 GLN 33 9.848 -1.152 8.629 208 HE22 GLN 33 2HE2 GLN 33 11.262 -0.218 8.962 209 H ILE 34 H ILE 34 8.863 -2.866 4.082 210 HA ILE 34 HA ILE 34 6.460 -1.647 3.944 211 HB ILE 34 HB ILE 34 7.858 -3.090 1.692 212 HG12 ILE 34 1HG1 ILE 34 7.818 -0.167 2.472 213 HG13 ILE 34 2HG1 ILE 34 9.135 -1.284 2.812 214 HG21 ILE 34 1HG2 ILE 34 5.273 -1.844 1.753 215 HG22 ILE 34 2HG2 ILE 34 6.352 -0.958 0.677 216 HG23 ILE 34 3HG2 ILE 34 6.079 -2.682 0.428 217 HD11 ILE 34 3HD1 ILE 34 8.443 0.121 0.346 218 HD12 ILE 34 1HD1 ILE 34 9.997 -0.491 0.913 219 HD13 ILE 34 2HD1 ILE 34 8.853 -1.581 0.128 220 H LYS 35 H LYS 35 7.058 -5.074 3.472 221 HA LYS 35 HA LYS 35 4.348 -5.629 2.652 222 HB2 LYS 35 1HB LYS 35 6.292 -6.964 1.854 223 HB3 LYS 35 2HB LYS 35 6.523 -7.552 3.495 224 HG2 LYS 35 1HG LYS 35 4.106 -8.388 3.329 225 HG3 LYS 35 2HG LYS 35 4.286 -8.133 1.592 226 HD2 LYS 35 1HD LYS 35 6.473 -9.523 1.901 227 HD3 LYS 35 2HD LYS 35 5.689 -10.073 3.384 228 HE2 LYS 35 1HE LYS 35 3.671 -10.594 1.890 229 HE3 LYS 35 2HE LYS 35 4.792 -10.422 0.539 230 HZ1 LYS 35 3HZ LYS 35 5.451 -12.207 2.788 231 HZ2 LYS 35 1HZ LYS 35 5.987 -12.267 1.184 232 HZ3 LYS 35 2HZ LYS 35 4.408 -12.736 1.566 233 H ALA 36 H ALA 36 6.325 -6.563 5.473 234 HA ALA 36 HA ALA 36 4.460 -7.806 7.018 235 HB1 ALA 36 3HB ALA 36 6.968 -6.486 7.479 236 HB2 ALA 36 1HB ALA 36 5.867 -6.193 8.825 237 HB3 ALA 36 2HB ALA 36 6.244 -7.846 8.338 238 H ALA 37 H ALA 37 4.851 -4.331 6.559 239 HA ALA 37 HA ALA 37 3.009 -3.508 8.538 240 HB1 ALA 37 3HB ALA 37 3.666 -1.468 7.940 241 HB2 ALA 37 1HB ALA 37 4.743 -2.250 6.783 242 HB3 ALA 37 2HB ALA 37 3.143 -1.709 6.273 243 H TYR 38 H TYR 38 2.599 -3.500 4.990 244 HA TYR 38 HA TYR 38 -0.034 -2.903 4.782 245 HB2 TYR 38 1HB TYR 38 1.272 -3.242 2.801 246 HB3 TYR 38 2HB TYR 38 1.545 -4.934 3.199 247 HD1 TYR 38 1HD TYR 38 -1.195 -2.533 2.402 248 HD2 TYR 38 2HD TYR 38 0.156 -6.567 2.296 249 HE1 TYR 38 1HE TYR 38 -3.175 -3.155 1.082 250 HE2 TYR 38 2HE TYR 38 -1.820 -7.200 0.975 251 HH TYR 38 HH TYR 38 -4.499 -5.567 0.778 252 H TYR 39 H TYR 39 1.305 -6.107 5.492 253 HA TYR 39 HA TYR 39 -1.115 -7.523 5.511 254 HB2 TYR 39 1HB TYR 39 1.595 -7.968 6.688 255 HB3 TYR 39 2HB TYR 39 0.269 -9.000 7.214 256 HD1 TYR 39 2HD TYR 39 1.270 -7.596 3.893 257 HD2 TYR 39 1HD TYR 39 0.407 -11.065 6.201 258 HE1 TYR 39 2HE TYR 39 1.573 -8.995 1.893 259 HE2 TYR 39 1HE TYR 39 0.709 -12.474 4.207 260 HH TYR 39 HH TYR 39 1.778 -12.417 2.058 261 H ARG 40 H ARG 40 0.653 -5.930 8.147 262 HA ARG 40 HA ARG 40 -0.958 -6.650 10.277 263 HB2 ARG 40 1HB ARG 40 0.769 -4.281 9.698 264 HB3 ARG 40 2HB ARG 40 -0.268 -4.244 11.118 265 HG2 ARG 40 1HG ARG 40 0.791 -6.514 11.694 266 HG3 ARG 40 2HG ARG 40 2.022 -6.071 10.509 267 HD2 ARG 40 1HD ARG 40 2.972 -5.227 12.412 268 HD3 ARG 40 2HD ARG 40 2.050 -3.823 11.877 269 HE ARG 40 HE ARG 40 0.486 -5.426 13.603 270 HH11 ARG 40 1HH1 ARG 40 3.160 -3.196 13.613 271 HH12 ARG 40 2HH1 ARG 40 2.873 -2.657 15.234 272 HH21 ARG 40 1HH2 ARG 40 0.098 -4.723 15.738 273 HH22 ARG 40 2HH2 ARG 40 1.132 -3.527 16.442 274 H GLN 41 H GLN 41 -1.306 -3.862 8.101 275 HA GLN 41 HA GLN 41 -3.489 -2.641 9.277 276 HB2 GLN 41 1HB GLN 41 -2.895 -2.883 6.323 277 HB3 GLN 41 2HB GLN 41 -3.979 -1.706 7.053 278 HG2 GLN 41 1HG GLN 41 -0.998 -1.902 7.392 279 HG3 GLN 41 2HG GLN 41 -1.908 -0.631 6.576 280 HE21 GLN 41 1HE2 GLN 41 -0.040 -0.740 8.961 281 HE22 GLN 41 2HE2 GLN 41 -0.888 0.122 10.194 282 H CYS 42 H CYS 42 -3.585 -4.994 6.595 283 HA CYS 42 HA CYS 42 -6.199 -5.329 6.150 284 HB2 CYS 42 1HB CYS 42 -3.984 -7.325 6.345 285 HB3 CYS 42 2HB CYS 42 -5.627 -7.911 6.114 286 HG CYS 42 HG CYS 42 -4.676 -5.466 4.013 287 H PHE 43 H PHE 43 -4.486 -6.757 8.912 288 HA PHE 43 HA PHE 43 -6.823 -7.966 10.014 289 HB2 PHE 43 1HB PHE 43 -4.794 -8.982 10.641 290 HB3 PHE 43 2HB PHE 43 -4.050 -7.442 11.058 291 HD1 PHE 43 1HD PHE 43 -4.785 -6.249 13.122 292 HD2 PHE 43 2HD PHE 43 -5.999 -10.230 12.231 293 HE1 PHE 43 1HE PHE 43 -5.411 -6.582 15.479 294 HE2 PHE 43 2HE PHE 43 -6.628 -10.569 14.585 295 HZ PHE 43 HZ PHE 43 -6.335 -8.744 16.212 296 H LEU 44 H LEU 44 -4.973 -5.035 10.784 297 HA LEU 44 HA LEU 44 -6.240 -4.135 13.020 298 HB2 LEU 44 1HB LEU 44 -5.099 -2.730 10.650 299 HB3 LEU 44 2HB LEU 44 -5.948 -1.792 11.877 300 HG LEU 44 HG LEU 44 -3.676 -3.612 12.605 301 HD11 LEU 44 1HD1 LEU 44 -3.542 -1.193 11.030 302 HD12 LEU 44 2HD1 LEU 44 -2.268 -2.336 11.455 303 HD13 LEU 44 3HD1 LEU 44 -2.678 -1.023 12.559 304 HD21 LEU 44 3HD2 LEU 44 -5.099 -1.295 13.871 305 HD22 LEU 44 1HD2 LEU 44 -3.486 -1.781 14.391 306 HD23 LEU 44 2HD2 LEU 44 -4.830 -2.917 14.511 307 H TYR 45 H TYR 45 -7.304 -3.521 9.677 308 HA TYR 45 HA TYR 45 -9.905 -2.647 10.716 309 HB2 TYR 45 1HB TYR 45 -8.632 -2.334 7.992 310 HB3 TYR 45 2HB TYR 45 -10.276 -1.833 8.372 311 HD1 TYR 45 2HD TYR 45 -6.880 -1.418 9.895 312 HD2 TYR 45 1HD TYR 45 -10.535 0.423 8.730 313 HE1 TYR 45 2HE TYR 45 -6.030 0.752 10.679 314 HE2 TYR 45 1HE TYR 45 -9.695 2.598 9.511 315 HH TYR 45 HH TYR 45 -7.891 3.342 11.296 316 H HIS 46 H HIS 46 -9.557 -5.314 10.988 317 HA HIS 46 HA HIS 46 -10.114 -7.068 8.982 318 HB2 HIS 46 1HB HIS 46 -9.930 -7.363 11.611 319 HB3 HIS 46 2HB HIS 46 -11.688 -7.373 11.501 320 HD2 HIS 46 2HD HIS 46 -8.772 -9.404 9.734 321 HE1 HIS 46 1HE HIS 46 -12.121 -11.932 10.361 322 HE2 HIS 46 2HE HIS 46 -9.729 -11.803 9.584 323 HA PRO 47 HA PRO 47 -14.008 -5.921 7.270 324 HB2 PRO 47 1HB PRO 47 -14.649 -8.284 6.097 325 HB3 PRO 47 2HB PRO 47 -13.410 -7.198 5.456 326 HG2 PRO 47 1HG PRO 47 -13.089 -9.660 7.129 327 HG3 PRO 47 2HG PRO 47 -12.154 -9.138 5.716 328 HD2 PRO 47 1HD PRO 47 -11.268 -8.807 8.253 329 HD3 PRO 47 2HD PRO 47 -10.875 -7.669 6.948 330 H ASP 48 H ASP 48 -13.614 -8.378 9.632 331 HA ASP 48 HA ASP 48 -16.446 -8.952 9.874 332 HB2 ASP 48 1HB ASP 48 -14.536 -10.619 10.288 333 HB3 ASP 48 2HB ASP 48 -14.302 -9.782 11.820 334 H ARG 49 H ARG 49 -13.926 -7.477 11.915 335 HA ARG 49 HA ARG 49 -15.500 -6.715 14.055 336 HB2 ARG 49 1HB ARG 49 -13.161 -5.206 12.874 337 HB3 ARG 49 2HB ARG 49 -13.810 -4.981 14.493 338 HG2 ARG 49 1HG ARG 49 -12.786 -7.641 13.566 339 HG3 ARG 49 2HG ARG 49 -11.714 -6.409 14.236 340 HD2 ARG 49 1HD ARG 49 -14.177 -7.398 15.656 341 HD3 ARG 49 2HD ARG 49 -12.588 -8.132 15.866 342 HE ARG 49 HE ARG 49 -12.309 -5.402 16.315 343 HH11 ARG 49 1HH1 ARG 49 -13.958 -8.123 17.729 344 HH12 ARG 49 2HH1 ARG 49 -13.921 -7.477 19.336 345 HH21 ARG 49 1HH2 ARG 49 -12.255 -4.540 18.427 346 HH22 ARG 49 2HH2 ARG 49 -12.953 -5.438 19.732 347 H ASN 50 H ASN 50 -14.651 -4.715 11.224 348 HA ASN 50 HA ASN 50 -16.478 -2.639 11.942 349 HB2 ASN 50 1HB ASN 50 -15.026 -3.183 9.343 350 HB3 ASN 50 2HB ASN 50 -15.925 -1.712 9.704 351 HD21 ASN 50 1HD2 ASN 50 -13.197 -3.688 10.714 352 HD22 ASN 50 2HD2 ASN 50 -12.285 -2.397 11.411 353 H SER 51 H SER 51 -18.561 -3.341 12.073 354 HA SER 51 HA SER 51 -19.755 -5.062 10.132 355 HB2 SER 51 1HB SER 51 -20.522 -4.948 12.490 356 HB3 SER 51 2HB SER 51 -21.101 -3.308 12.202 357 HG SER 51 HG SER 51 -22.268 -5.678 11.594 358 H GLY 52 H GLY 52 -19.853 -4.305 8.091 359 HA2 GLY 52 1HA GLY 52 -20.248 -2.855 6.332 360 HA3 GLY 52 2HA GLY 52 -21.794 -2.673 7.148 361 H SER 53 H SER 53 -18.503 -1.566 7.942 362 HA SER 53 HA SER 53 -19.400 0.931 8.923 363 HB2 SER 53 1HB SER 53 -16.955 1.537 8.855 364 HB3 SER 53 2HB SER 53 -17.315 0.049 9.731 365 HG SER 53 HG SER 53 -16.353 0.255 7.067 366 H ALA 54 H ALA 54 -18.549 3.047 8.046 367 HA ALA 54 HA ALA 54 -18.866 3.097 5.115 368 HB1 ALA 54 3HB ALA 54 -20.341 4.780 5.256 369 HB2 ALA 54 1HB ALA 54 -20.541 4.245 6.924 370 HB3 ALA 54 2HB ALA 54 -19.453 5.583 6.551 371 H GLU 55 H GLU 55 -17.315 4.699 7.877 372 HA GLU 55 HA GLU 55 -15.615 6.324 6.260 373 HB2 GLU 55 1HB GLU 55 -15.400 5.569 9.180 374 HB3 GLU 55 2HB GLU 55 -14.447 6.814 8.384 375 HG2 GLU 55 1HG GLU 55 -16.233 8.254 8.194 376 HG3 GLU 55 2HG GLU 55 -17.424 6.958 8.299 377 H ALA 56 H ALA 56 -15.169 3.306 8.067 378 HA ALA 56 HA ALA 56 -12.480 2.891 7.812 379 HB1 ALA 56 3HB ALA 56 -14.105 0.510 7.223 380 HB2 ALA 56 1HB ALA 56 -12.897 0.783 8.480 381 HB3 ALA 56 2HB ALA 56 -14.542 1.386 8.691 382 H ALA 57 H ALA 57 -14.973 2.181 5.387 383 HA ALA 57 HA ALA 57 -13.601 0.881 3.449 384 HB1 ALA 57 3HB ALA 57 -15.310 1.404 2.081 385 HB2 ALA 57 1HB ALA 57 -16.016 2.087 3.547 386 HB3 ALA 57 2HB ALA 57 -15.177 3.133 2.400 387 H GLU 58 H GLU 58 -13.806 4.446 3.560 388 HA GLU 58 HA GLU 58 -12.138 5.161 1.569 389 HB2 GLU 58 1HB GLU 58 -12.588 6.319 4.285 390 HB3 GLU 58 2HB GLU 58 -11.316 7.000 3.281 391 HG2 GLU 58 1HG GLU 58 -13.603 8.097 3.177 392 HG3 GLU 58 2HG GLU 58 -12.819 7.711 1.646 393 H ARG 59 H ARG 59 -10.912 4.761 4.898 394 HA ARG 59 HA ARG 59 -8.226 4.890 4.385 395 HB2 ARG 59 1HB ARG 59 -9.590 4.520 6.614 396 HB3 ARG 59 2HB ARG 59 -9.184 2.833 6.328 397 HG2 ARG 59 1HG ARG 59 -7.510 3.643 7.750 398 HG3 ARG 59 2HG ARG 59 -6.772 3.595 6.147 399 HD2 ARG 59 1HD ARG 59 -6.119 5.677 6.860 400 HD3 ARG 59 2HD ARG 59 -7.618 6.070 6.020 401 HE ARG 59 HE ARG 59 -8.237 5.564 8.693 402 HH11 ARG 59 1HH1 ARG 59 -6.469 7.885 6.792 403 HH12 ARG 59 2HH1 ARG 59 -6.727 9.188 7.904 404 HH21 ARG 59 1HH2 ARG 59 -8.583 7.272 10.165 405 HH22 ARG 59 2HH2 ARG 59 -7.929 8.838 9.823 406 H PHE 60 H PHE 60 -10.106 1.862 4.580 407 HA PHE 60 HA PHE 60 -8.248 0.012 3.935 408 HB2 PHE 60 1HB PHE 60 -10.839 -0.196 4.241 409 HB3 PHE 60 2HB PHE 60 -10.869 -0.101 2.484 410 HD1 PHE 60 1HD PHE 60 -8.938 -1.900 5.126 411 HD2 PHE 60 2HD PHE 60 -10.932 -2.097 1.370 412 HE1 PHE 60 1HE PHE 60 -8.443 -4.307 4.993 413 HE2 PHE 60 2HE PHE 60 -10.441 -4.503 1.232 414 HZ PHE 60 HZ PHE 60 -9.196 -5.612 3.045 415 H THR 61 H THR 61 -9.842 2.202 1.672 416 HA THR 61 HA THR 61 -8.746 1.091 -0.689 417 HB THR 61 HB THR 61 -9.702 3.919 -0.201 418 HG1 THR 61 1HG THR 61 -10.994 1.500 -0.826 419 HG21 THR 61 3HG2 THR 61 -8.254 3.546 -2.232 420 HG22 THR 61 1HG2 THR 61 -9.877 4.148 -2.565 421 HG23 THR 61 2HG2 THR 61 -9.499 2.445 -2.822 422 H ARG 62 H ARG 62 -7.774 3.881 1.296 423 HA ARG 62 HA ARG 62 -5.543 4.610 -0.253 424 HB2 ARG 62 1HB ARG 62 -6.268 5.075 2.633 425 HB3 ARG 62 2HB ARG 62 -4.772 5.690 1.942 426 HG2 ARG 62 1HG ARG 62 -5.992 7.026 0.359 427 HG3 ARG 62 2HG ARG 62 -7.520 6.322 0.890 428 HD2 ARG 62 1HD ARG 62 -6.787 7.217 3.230 429 HD3 ARG 62 2HD ARG 62 -5.741 8.275 2.283 430 HE ARG 62 HE ARG 62 -8.241 8.509 1.163 431 HH11 ARG 62 1HH1 ARG 62 -6.821 9.041 4.297 432 HH12 ARG 62 2HH1 ARG 62 -7.923 10.307 4.726 433 HH21 ARG 62 1HH2 ARG 62 -9.698 10.174 1.717 434 HH22 ARG 62 2HH2 ARG 62 -9.560 10.950 3.258 435 H ILE 63 H ILE 63 -5.703 2.728 2.772 436 HA ILE 63 HA ILE 63 -3.104 2.121 3.207 437 HB ILE 63 HB ILE 63 -5.414 0.184 3.379 438 HG12 ILE 63 1HG1 ILE 63 -4.137 1.661 5.664 439 HG13 ILE 63 2HG1 ILE 63 -5.393 2.424 4.695 440 HG21 ILE 63 1HG2 ILE 63 -3.642 -0.592 5.289 441 HG22 ILE 63 2HG2 ILE 63 -3.795 -1.334 3.697 442 HG23 ILE 63 3HG2 ILE 63 -2.562 -0.106 3.982 443 HD11 ILE 63 3HD1 ILE 63 -5.736 -0.215 6.090 444 HD12 ILE 63 1HD1 ILE 63 -6.190 1.339 6.789 445 HD13 ILE 63 2HD1 ILE 63 -6.980 0.768 5.319 446 H SER 64 H SER 64 -5.227 0.439 0.907 447 HA SER 64 HA SER 64 -3.357 -1.454 0.023 448 HB2 SER 64 1HB SER 64 -5.913 -1.303 -0.414 449 HB3 SER 64 2HB SER 64 -5.459 -0.304 -1.795 450 HG SER 64 HG SER 64 -4.072 -2.096 -2.421 451 H GLN 65 H GLN 65 -4.170 1.761 -1.243 452 HA GLN 65 HA GLN 65 -2.617 1.817 -3.510 453 HB2 GLN 65 1HB GLN 65 -3.008 4.093 -1.559 454 HB3 GLN 65 2HB GLN 65 -2.526 4.249 -3.243 455 HG2 GLN 65 1HG GLN 65 -4.779 2.927 -3.636 456 HG3 GLN 65 2HG GLN 65 -5.181 3.638 -2.074 457 HE21 GLN 65 1HE2 GLN 65 -5.941 5.638 -2.046 458 HE22 GLN 65 2HE2 GLN 65 -5.898 6.750 -3.368 459 H ALA 66 H ALA 66 -1.617 2.382 -0.168 460 HA ALA 66 HA ALA 66 1.004 3.226 -0.660 461 HB1 ALA 66 3HB ALA 66 0.310 3.559 1.519 462 HB2 ALA 66 1HB ALA 66 -0.349 1.930 1.669 463 HB3 ALA 66 2HB ALA 66 1.397 2.180 1.685 464 H TYR 67 H TYR 67 -0.409 0.019 -0.546 465 HA TYR 67 HA TYR 67 2.158 -1.307 -0.649 466 HB2 TYR 67 1HB TYR 67 0.022 -2.197 0.476 467 HB3 TYR 67 2HB TYR 67 -0.511 -2.608 -1.150 468 HD1 TYR 67 1HD TYR 67 2.832 -2.880 0.494 469 HD2 TYR 67 2HD TYR 67 -0.412 -4.910 -1.366 470 HE1 TYR 67 1HE TYR 67 4.087 -4.991 0.622 471 HE2 TYR 67 2HE TYR 67 0.834 -7.027 -1.242 472 HH TYR 67 HH TYR 67 2.791 -7.986 -0.760 473 H VAL 68 H VAL 68 1.125 0.560 -2.819 474 HA VAL 68 HA VAL 68 1.404 -1.306 -5.085 475 HB VAL 68 HB VAL 68 0.050 1.396 -5.047 476 HG11 VAL 68 1HG1 VAL 68 -0.182 1.310 -7.301 477 HG12 VAL 68 2HG1 VAL 68 1.313 0.380 -7.174 478 HG13 VAL 68 3HG1 VAL 68 -0.233 -0.452 -7.339 479 HG21 VAL 68 3HG2 VAL 68 -1.500 -0.960 -5.817 480 HG22 VAL 68 1HG2 VAL 68 -0.948 -0.985 -4.142 481 HG23 VAL 68 2HG2 VAL 68 -1.915 0.367 -4.731 482 H VAL 69 H VAL 69 1.835 2.200 -4.596 483 HA VAL 69 HA VAL 69 3.879 2.509 -6.466 484 HB VAL 69 HB VAL 69 3.507 4.178 -3.977 485 HG11 VAL 69 1HG1 VAL 69 4.322 5.962 -5.667 486 HG12 VAL 69 2HG1 VAL 69 5.502 4.873 -4.936 487 HG13 VAL 69 3HG1 VAL 69 4.931 4.581 -6.579 488 HG21 VAL 69 3HG2 VAL 69 1.433 4.477 -4.814 489 HG22 VAL 69 1HG2 VAL 69 2.260 5.566 -5.927 490 HG23 VAL 69 2HG2 VAL 69 1.885 3.916 -6.423 491 H LEU 70 H LEU 70 3.981 1.468 -3.139 492 HA LEU 70 HA LEU 70 6.912 1.514 -3.161 493 HB2 LEU 70 1HB LEU 70 5.168 0.778 -0.831 494 HB3 LEU 70 2HB LEU 70 6.849 1.306 -0.816 495 HG LEU 70 HG LEU 70 4.643 3.140 -1.700 496 HD11 LEU 70 1HD1 LEU 70 3.975 3.600 0.385 497 HD12 LEU 70 2HD1 LEU 70 5.606 3.465 1.042 498 HD13 LEU 70 3HD1 LEU 70 4.638 2.014 0.782 499 HD21 LEU 70 3HD2 LEU 70 6.245 4.856 -1.001 500 HD22 LEU 70 1HD2 LEU 70 6.926 3.793 -2.233 501 HD23 LEU 70 2HD2 LEU 70 7.392 3.596 -0.543 502 H GLY 71 H GLY 71 4.193 -0.613 -3.310 503 HA2 GLY 71 1HA GLY 71 5.093 -3.009 -2.358 504 HA3 GLY 71 2HA GLY 71 4.107 -2.862 -3.806 505 H SER 72 H SER 72 6.360 -1.261 -5.057 506 HA SER 72 HA SER 72 8.312 -3.408 -5.481 507 HB2 SER 72 1HB SER 72 6.732 -2.008 -7.645 508 HB3 SER 72 2HB SER 72 8.191 -2.946 -7.960 509 HG SER 72 HG SER 72 7.155 -4.771 -7.443 510 H ALA 73 H ALA 73 10.322 -2.665 -5.380 511 HA ALA 73 HA ALA 73 11.102 -0.144 -4.737 512 HB1 ALA 73 3HB ALA 73 12.467 -2.347 -4.958 513 HB2 ALA 73 1HB ALA 73 12.859 -1.729 -6.562 514 HB3 ALA 73 2HB ALA 73 13.283 -0.793 -5.128 515 H THR 74 H THR 74 11.286 -1.447 -8.058 516 HA THR 74 HA THR 74 12.129 0.614 -9.518 517 HB THR 74 HB THR 74 9.660 -0.996 -10.196 518 HG1 THR 74 1HG THR 74 11.034 -2.504 -10.869 519 HG21 THR 74 3HG2 THR 74 9.874 1.011 -11.594 520 HG22 THR 74 1HG2 THR 74 10.172 -0.458 -12.523 521 HG23 THR 74 2HG2 THR 74 11.525 0.547 -12.003 522 H LEU 75 H LEU 75 8.616 0.285 -8.980 523 HA LEU 75 HA LEU 75 7.701 2.646 -9.871 524 HB2 LEU 75 1HB LEU 75 6.872 1.502 -7.210 525 HB3 LEU 75 2HB LEU 75 5.910 2.535 -8.265 526 HG LEU 75 HG LEU 75 6.785 -0.275 -8.933 527 HD11 LEU 75 1HD1 LEU 75 5.235 -0.570 -7.229 528 HD12 LEU 75 2HD1 LEU 75 4.248 -0.644 -8.688 529 HD13 LEU 75 3HD1 LEU 75 4.280 0.829 -7.719 530 HD21 LEU 75 3HD2 LEU 75 5.568 -0.098 -10.889 531 HD22 LEU 75 1HD2 LEU 75 6.307 1.499 -10.768 532 HD23 LEU 75 2HD2 LEU 75 4.621 1.270 -10.301 533 H ARG 76 H ARG 76 8.625 2.257 -6.444 534 HA ARG 76 HA ARG 76 8.491 4.808 -5.568 535 HB2 ARG 76 1HB ARG 76 10.329 2.557 -4.937 536 HB3 ARG 76 2HB ARG 76 10.749 4.144 -4.305 537 HG2 ARG 76 1HG ARG 76 8.851 4.257 -2.974 538 HG3 ARG 76 2HG ARG 76 8.007 3.019 -3.906 539 HD2 ARG 76 1HD ARG 76 8.601 1.817 -2.046 540 HD3 ARG 76 2HD ARG 76 9.986 1.504 -3.091 541 HE ARG 76 HE ARG 76 9.952 3.068 -0.659 542 HH11 ARG 76 1HH1 ARG 76 11.650 2.287 -3.596 543 HH12 ARG 76 2HH1 ARG 76 13.190 2.811 -3.000 544 HH21 ARG 76 1HH2 ARG 76 11.974 3.761 0.138 545 HH22 ARG 76 2HH2 ARG 76 13.373 3.648 -0.875 546 H ARG 77 H ARG 77 11.171 3.424 -7.428 547 HA ARG 77 HA ARG 77 12.739 5.801 -7.410 548 HB2 ARG 77 1HB ARG 77 12.819 3.217 -8.920 549 HB3 ARG 77 2HB ARG 77 13.813 4.563 -9.461 550 HG2 ARG 77 1HG ARG 77 15.283 3.493 -8.088 551 HG3 ARG 77 2HG ARG 77 14.548 4.613 -6.941 552 HD2 ARG 77 1HD ARG 77 13.290 2.955 -5.929 553 HD3 ARG 77 2HD ARG 77 13.371 1.896 -7.336 554 HE ARG 77 HE ARG 77 15.362 1.059 -6.558 555 HH11 ARG 77 1HH1 ARG 77 14.539 3.939 -4.786 556 HH12 ARG 77 2HH1 ARG 77 15.790 3.728 -3.606 557 HH21 ARG 77 1HH2 ARG 77 17.013 0.769 -5.011 558 HH22 ARG 77 2HH2 ARG 77 17.197 1.925 -3.736 559 H LYS 78 H LYS 78 10.238 4.521 -9.490 560 HA LYS 78 HA LYS 78 10.673 6.209 -11.714 561 HB2 LYS 78 1HB LYS 78 8.095 4.938 -10.772 562 HB3 LYS 78 2HB LYS 78 8.388 5.602 -12.374 563 HG2 LYS 78 1HG LYS 78 10.357 3.890 -12.409 564 HG3 LYS 78 2HG LYS 78 9.419 3.091 -11.145 565 HD2 LYS 78 1HD LYS 78 8.613 2.075 -13.059 566 HD3 LYS 78 2HD LYS 78 7.438 3.368 -12.809 567 HE2 LYS 78 1HE LYS 78 7.908 3.573 -15.061 568 HE3 LYS 78 2HE LYS 78 9.017 4.743 -14.347 569 HZ1 LYS 78 3HZ LYS 78 10.726 2.935 -14.399 570 HZ2 LYS 78 1HZ LYS 78 10.237 3.497 -15.918 571 HZ3 LYS 78 2HZ LYS 78 9.652 2.022 -15.334 572 H TYR 79 H TYR 79 8.125 6.415 -9.221 573 HA TYR 79 HA TYR 79 7.092 8.874 -9.887 574 HB2 TYR 79 1HB TYR 79 6.217 7.288 -8.138 575 HB3 TYR 79 2HB TYR 79 7.453 7.905 -7.047 576 HD1 TYR 79 1HD TYR 79 4.684 9.139 -9.232 577 HD2 TYR 79 2HD TYR 79 6.908 9.658 -5.642 578 HE1 TYR 79 1HE TYR 79 3.177 10.967 -8.570 579 HE2 TYR 79 2HE TYR 79 5.407 11.487 -4.970 580 HH TYR 79 HH TYR 79 2.862 12.660 -7.121 581 H ASP 80 H ASP 80 10.064 8.140 -8.223 582 HA ASP 80 HA ASP 80 10.591 10.629 -7.055 583 HB2 ASP 80 1HB ASP 80 11.845 8.389 -6.786 584 HB3 ASP 80 2HB ASP 80 12.747 8.881 -8.217 585 H ARG 81 H ARG 81 11.507 9.361 -10.248 586 HA ARG 81 HA ARG 81 12.534 11.969 -11.031 587 HB2 ARG 81 1HB ARG 81 12.316 9.631 -12.893 588 HB3 ARG 81 2HB ARG 81 13.517 10.915 -12.858 589 HG2 ARG 81 1HG ARG 81 13.279 8.605 -10.944 590 HG3 ARG 81 2HG ARG 81 14.536 8.864 -12.155 591 HD2 ARG 81 1HD ARG 81 14.001 10.552 -9.714 592 HD3 ARG 81 2HD ARG 81 15.369 9.469 -9.967 593 HE ARG 81 HE ARG 81 15.085 12.140 -10.945 594 HH11 ARG 81 1HH1 ARG 81 16.527 9.037 -11.590 595 HH12 ARG 81 2HH1 ARG 81 17.821 9.689 -12.538 596 HH21 ARG 81 1HH2 ARG 81 16.785 13.011 -12.192 597 HH22 ARG 81 2HH2 ARG 81 17.968 11.950 -12.880 598 H GLY 82 H GLY 82 9.559 10.597 -10.876 599 HA2 GLY 82 1HA GLY 82 7.553 11.475 -11.663 600 HA3 GLY 82 2HA GLY 82 8.464 12.510 -12.752 601 H LEU 83 H LEU 83 9.064 9.088 -12.660 602 HA LEU 83 HA LEU 83 8.211 8.880 -15.429 603 HB2 LEU 83 1HB LEU 83 9.450 6.762 -13.684 604 HB3 LEU 83 2HB LEU 83 9.320 6.752 -15.441 605 HG LEU 83 HG LEU 83 10.865 8.943 -14.141 606 HD11 LEU 83 1HD1 LEU 83 12.770 7.041 -14.685 607 HD12 LEU 83 2HD1 LEU 83 11.490 6.108 -13.911 608 HD13 LEU 83 3HD1 LEU 83 12.192 7.497 -13.082 609 HD21 LEU 83 3HD2 LEU 83 10.352 8.716 -16.628 610 HD22 LEU 83 1HD2 LEU 83 11.485 7.365 -16.620 611 HD23 LEU 83 2HD2 LEU 83 12.036 8.980 -16.173 612 H LEU 84 H LEU 84 7.067 8.063 -12.295 613 HA LEU 84 HA LEU 84 5.359 5.909 -13.039 614 HB2 LEU 84 1HB LEU 84 6.160 6.357 -10.729 615 HB3 LEU 84 2HB LEU 84 5.112 7.772 -10.682 616 HG LEU 84 HG LEU 84 3.185 6.148 -11.093 617 HD11 LEU 84 1HD1 LEU 84 4.529 3.954 -9.810 618 HD12 LEU 84 2HD1 LEU 84 5.295 4.336 -11.352 619 HD13 LEU 84 3HD1 LEU 84 3.570 3.973 -11.291 620 HD21 LEU 84 3HD2 LEU 84 4.363 5.463 -8.478 621 HD22 LEU 84 1HD2 LEU 84 2.789 6.155 -8.872 622 HD23 LEU 84 2HD2 LEU 84 4.220 7.185 -8.837 623 H SER 85 H SER 85 3.240 5.894 -13.631 624 HA SER 85 HA SER 85 1.996 8.520 -14.129 625 HB2 SER 85 1HB SER 85 0.750 7.306 -15.984 626 HB3 SER 85 2HB SER 85 2.476 7.549 -16.252 627 HG SER 85 HG SER 85 1.603 5.185 -15.024 628 H ASP 86 H ASP 86 -0.401 8.479 -14.174 629 HA ASP 86 HA ASP 86 -1.453 7.495 -11.783 630 HB2 ASP 86 1HB ASP 86 -2.769 8.498 -14.303 631 HB3 ASP 86 2HB ASP 86 -3.703 8.008 -12.892 632 H GLU 87 H GLU 87 -1.545 6.171 -15.051 633 HA GLU 87 HA GLU 87 -3.405 4.184 -14.842 634 HB2 GLU 87 1HB GLU 87 -0.751 4.258 -16.249 635 HB3 GLU 87 2HB GLU 87 -1.783 2.838 -16.343 636 HG2 GLU 87 1HG GLU 87 -2.297 4.067 -18.252 637 HG3 GLU 87 2HG GLU 87 -3.612 4.420 -17.132 638 H ASP 88 H ASP 88 0.028 3.886 -13.937 639 HA ASP 88 HA ASP 88 0.196 1.332 -13.082 640 HB2 ASP 88 1HB ASP 88 1.286 3.757 -11.638 641 HB3 ASP 88 2HB ASP 88 1.815 2.100 -11.360 642 H LEU 89 H LEU 89 -1.060 4.015 -11.109 643 HA LEU 89 HA LEU 89 -1.645 2.638 -8.793 644 HB2 LEU 89 1HB LEU 89 -3.187 4.882 -10.085 645 HB3 LEU 89 2HB LEU 89 -3.416 4.338 -8.424 646 HG LEU 89 HG LEU 89 -0.713 5.251 -9.311 647 HD11 LEU 89 1HD1 LEU 89 -2.559 6.918 -9.979 648 HD12 LEU 89 2HD1 LEU 89 -1.189 7.508 -9.039 649 HD13 LEU 89 3HD1 LEU 89 -2.730 7.190 -8.244 650 HD21 LEU 89 3HD2 LEU 89 -1.431 6.172 -6.758 651 HD22 LEU 89 1HD2 LEU 89 -0.314 4.868 -7.162 652 HD23 LEU 89 2HD2 LEU 89 -2.016 4.511 -6.866 653 H ARG 90 H ARG 90 -3.613 2.956 -11.720 654 HA ARG 90 HA ARG 90 -6.004 1.937 -11.077 655 HB2 ARG 90 1HB ARG 90 -4.356 1.004 -13.435 656 HB3 ARG 90 2HB ARG 90 -6.103 0.864 -13.287 657 HG2 ARG 90 1HG ARG 90 -4.764 3.534 -13.120 658 HG3 ARG 90 2HG ARG 90 -5.122 2.789 -14.680 659 HD2 ARG 90 1HD ARG 90 -7.017 4.050 -14.323 660 HD3 ARG 90 2HD ARG 90 -7.505 2.484 -13.676 661 HE ARG 90 HE ARG 90 -6.371 4.067 -11.632 662 HH11 ARG 90 1HH1 ARG 90 -9.236 3.787 -13.589 663 HH12 ARG 90 2HH1 ARG 90 -10.273 4.514 -12.407 664 HH21 ARG 90 1HH2 ARG 90 -7.726 5.026 -10.067 665 HH22 ARG 90 2HH2 ARG 90 -9.413 5.219 -10.404 666 H GLY 91 H GLY 91 -3.213 -0.154 -11.852 667 HA2 GLY 91 1HA GLY 91 -3.286 -1.931 -9.829 668 HA3 GLY 91 2HA GLY 91 -4.609 -2.484 -10.846 669 HA PRO 92 HA PRO 92 -0.236 -3.812 -12.368 670 HB2 PRO 92 1HB PRO 92 0.111 -6.138 -11.013 671 HB3 PRO 92 2HB PRO 92 0.705 -4.583 -10.420 672 HG2 PRO 92 1HG PRO 92 -1.774 -6.077 -9.659 673 HG3 PRO 92 2HG PRO 92 -0.619 -5.224 -8.619 674 HD2 PRO 92 1HD PRO 92 -2.992 -4.145 -9.353 675 HD3 PRO 92 2HD PRO 92 -1.541 -3.161 -9.075 676 H GLY 93 H GLY 93 0.225 -5.909 -13.527 677 HA2 GLY 93 1HA GLY 93 -2.275 -6.869 -14.717 678 HA3 GLY 93 2HA GLY 93 -0.671 -7.021 -15.418 679 H SER 94 H SER 94 0.573 -8.793 -14.961 680 HA SER 94 HA SER 94 -0.725 -10.871 -13.323 681 HB2 SER 94 1HB SER 94 1.128 -11.263 -15.685 682 HB3 SER 94 2HB SER 94 0.316 -12.536 -14.774 683 HG SER 94 HG SER 94 -0.604 -11.150 -16.847 684 H GLY 95 H GLY 95 2.481 -9.823 -14.487 685 HA2 GLY 95 1HA GLY 95 3.642 -9.719 -11.929 686 HA3 GLY 95 2HA GLY 95 3.986 -11.294 -12.629 687 HA PRO 96 HA PRO 96 6.778 -7.735 -14.277 688 HB2 PRO 96 1HB PRO 96 8.809 -7.793 -12.476 689 HB3 PRO 96 2HB PRO 96 7.411 -6.723 -12.313 690 HG2 PRO 96 1HG PRO 96 7.952 -9.349 -10.981 691 HG3 PRO 96 2HG PRO 96 7.291 -7.857 -10.287 692 HD2 PRO 96 1HD PRO 96 5.728 -9.952 -10.993 693 HD3 PRO 96 2HD PRO 96 5.173 -8.269 -11.097 694 H SER 97 H SER 97 6.800 -10.981 -13.569 695 HA SER 97 HA SER 97 9.219 -11.399 -15.193 696 HB2 SER 97 1HB SER 97 9.928 -13.214 -13.846 697 HB3 SER 97 2HB SER 97 9.496 -11.940 -12.706 698 HG SER 97 HG SER 97 7.862 -13.099 -12.013 699 H SER 98 H SER 98 9.014 -12.782 -16.859 700 HA SER 98 HA SER 98 6.381 -13.753 -17.503 701 HB2 SER 98 1HB SER 98 8.999 -13.555 -18.911 702 HB3 SER 98 2HB SER 98 7.854 -14.765 -19.490 703 HG SER 98 HG SER 98 7.217 -13.028 -20.574 704 H GLY 99 H GLY 99 9.569 -15.277 -17.017 705 HA2 GLY 99 1HA GLY 99 8.441 -17.926 -17.046 706 HA3 GLY 99 2HA GLY 99 10.111 -17.505 -16.695 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 28.324 3.772 10.718 2 HA2 GLY 1 1HA GLY 1 26.787 3.086 8.774 3 HA3 GLY 1 2HA GLY 1 25.651 2.720 10.065 4 H SER 2 H SER 2 25.257 4.586 7.929 5 HA SER 2 HA SER 2 25.740 7.243 8.588 6 HB2 SER 2 1HB SER 2 24.782 6.330 6.418 7 HB3 SER 2 2HB SER 2 23.220 6.269 7.236 8 HG SER 2 HG SER 2 24.741 8.483 6.451 9 H SER 3 H SER 3 23.786 8.803 9.032 10 HA SER 3 HA SER 3 22.743 8.016 11.639 11 HB2 SER 3 1HB SER 3 23.919 10.198 11.360 12 HB3 SER 3 2HB SER 3 22.628 10.718 10.277 13 HG SER 3 HG SER 3 21.656 11.328 12.030 14 H GLY 4 H GLY 4 21.488 9.574 8.682 15 HA2 GLY 4 1HA GLY 4 19.281 8.010 8.269 16 HA3 GLY 4 2HA GLY 4 18.757 9.180 9.472 17 H SER 5 H SER 5 17.369 9.252 7.243 18 HA SER 5 HA SER 5 18.407 10.803 5.130 19 HB2 SER 5 1HB SER 5 15.633 10.115 6.052 20 HB3 SER 5 2HB SER 5 15.869 11.283 4.752 21 HG SER 5 HG SER 5 16.055 9.604 3.515 22 H SER 6 H SER 6 19.484 12.585 5.988 23 HA SER 6 HA SER 6 18.418 14.397 7.845 24 HB2 SER 6 1HB SER 6 20.231 15.831 7.285 25 HB3 SER 6 2HB SER 6 20.841 14.188 7.083 26 HG SER 6 HG SER 6 20.719 14.404 4.902 27 H GLY 7 H GLY 7 17.549 16.501 7.560 28 HA2 GLY 7 1HA GLY 7 16.893 18.145 5.722 29 HA3 GLY 7 2HA GLY 7 16.034 16.770 5.043 30 H SER 8 H SER 8 15.878 19.396 7.175 31 HA SER 8 HA SER 8 13.867 18.473 8.946 32 HB2 SER 8 1HB SER 8 15.388 20.520 9.218 33 HB3 SER 8 2HB SER 8 14.262 21.355 8.147 34 HG SER 8 HG SER 8 12.596 20.743 9.674 35 H GLN 9 H GLN 9 12.239 17.480 7.765 36 HA GLN 9 HA GLN 9 10.964 18.302 5.496 37 HB2 GLN 9 1HB GLN 9 8.955 17.117 6.339 38 HB3 GLN 9 2HB GLN 9 10.436 16.189 6.544 39 HG2 GLN 9 1HG GLN 9 9.492 15.852 8.578 40 HG3 GLN 9 2HG GLN 9 10.408 17.319 8.922 41 HE21 GLN 9 1HE2 GLN 9 9.156 18.210 10.460 42 HE22 GLN 9 2HE2 GLN 9 7.515 18.696 10.226 43 H GLY 10 H GLY 10 10.298 19.379 8.809 44 HA2 GLY 10 1HA GLY 10 9.106 21.168 9.613 45 HA3 GLY 10 2HA GLY 10 9.577 21.974 8.124 46 H ASP 11 H ASP 11 7.719 23.013 7.617 47 HA ASP 11 HA ASP 11 5.196 21.558 7.642 48 HB2 ASP 11 1HB ASP 11 4.228 23.781 6.998 49 HB3 ASP 11 2HB ASP 11 5.098 23.788 8.529 50 H CYS 12 H CYS 12 5.142 20.167 5.948 51 HA CYS 12 HA CYS 12 5.818 21.177 3.282 52 HB2 CYS 12 1HB CYS 12 5.906 18.880 2.571 53 HB3 CYS 12 2HB CYS 12 6.819 19.024 4.068 54 HG CYS 12 HG CYS 12 4.330 18.176 5.491 55 H SER 13 H SER 13 4.385 20.823 1.501 56 HA SER 13 HA SER 13 1.560 20.544 2.293 57 HB2 SER 13 1HB SER 13 2.900 22.603 0.590 58 HB3 SER 13 2HB SER 13 1.253 22.119 0.186 59 HG SER 13 HG SER 13 0.798 22.562 2.487 60 H TYR 14 H TYR 14 3.216 18.427 1.401 61 HA TYR 14 HA TYR 14 1.735 17.660 -0.994 62 HB2 TYR 14 1HB TYR 14 4.066 16.599 -1.726 63 HB3 TYR 14 2HB TYR 14 3.595 18.228 -2.200 64 HD1 TYR 14 1HD TYR 14 4.445 20.173 -0.788 65 HD2 TYR 14 2HD TYR 14 6.021 16.233 -0.484 66 HE1 TYR 14 1HE TYR 14 6.473 21.073 0.273 67 HE2 TYR 14 2HE TYR 14 8.054 17.122 0.578 68 HH TYR 14 HH TYR 14 9.044 18.927 1.436 69 H SER 15 H SER 15 1.067 15.600 -0.932 70 HA SER 15 HA SER 15 1.638 14.035 1.417 71 HB2 SER 15 1HB SER 15 0.001 13.232 -0.996 72 HB3 SER 15 2HB SER 15 -0.064 12.528 0.619 73 HG SER 15 HG SER 15 -1.592 13.940 0.919 74 H ARG 16 H ARG 16 4.020 14.128 0.540 75 HA ARG 16 HA ARG 16 4.626 12.114 -1.443 76 HB2 ARG 16 1HB ARG 16 6.216 14.063 0.172 77 HB3 ARG 16 2HB ARG 16 7.038 12.683 -0.543 78 HG2 ARG 16 1HG ARG 16 6.000 13.399 -2.748 79 HG3 ARG 16 2HG ARG 16 5.585 14.908 -1.932 80 HD2 ARG 16 1HD ARG 16 7.684 15.131 -3.140 81 HD3 ARG 16 2HD ARG 16 7.946 15.268 -1.402 82 HE ARG 16 HE ARG 16 9.247 13.391 -1.493 83 HH11 ARG 16 1HH1 ARG 16 7.315 13.568 -4.384 84 HH12 ARG 16 2HH1 ARG 16 8.106 12.232 -5.152 85 HH21 ARG 16 1HH2 ARG 16 10.297 11.631 -2.494 86 HH22 ARG 16 2HH2 ARG 16 9.802 11.130 -4.075 87 H THR 17 H THR 17 4.851 12.489 2.057 88 HA THR 17 HA THR 17 5.916 9.779 2.321 89 HB THR 17 HB THR 17 5.994 10.375 4.791 90 HG1 THR 17 1HG THR 17 5.577 13.013 3.795 91 HG21 THR 17 3HG2 THR 17 8.039 11.598 4.581 92 HG22 THR 17 1HG2 THR 17 7.573 12.217 2.998 93 HG23 THR 17 2HG2 THR 17 7.934 10.503 3.203 94 H ALA 18 H ALA 18 3.231 10.100 1.378 95 HA ALA 18 HA ALA 18 1.458 9.536 3.587 96 HB1 ALA 18 3HB ALA 18 0.640 9.052 0.770 97 HB2 ALA 18 1HB ALA 18 -0.265 9.764 2.107 98 HB3 ALA 18 2HB ALA 18 0.970 10.709 1.275 99 H LEU 19 H LEU 19 2.163 7.710 0.601 100 HA LEU 19 HA LEU 19 1.133 5.281 1.380 101 HB2 LEU 19 1HB LEU 19 3.658 5.434 -0.222 102 HB3 LEU 19 2HB LEU 19 2.310 4.310 -0.386 103 HG LEU 19 HG LEU 19 2.498 7.160 -1.317 104 HD11 LEU 19 1HD1 LEU 19 1.834 6.159 -3.450 105 HD12 LEU 19 2HD1 LEU 19 1.801 4.568 -2.690 106 HD13 LEU 19 3HD1 LEU 19 3.324 5.447 -2.828 107 HD21 LEU 19 3HD2 LEU 19 0.337 6.680 -0.072 108 HD22 LEU 19 1HD2 LEU 19 -0.024 5.524 -1.355 109 HD23 LEU 19 2HD2 LEU 19 0.183 7.233 -1.740 110 H TYR 20 H TYR 20 3.910 6.862 2.576 111 HA TYR 20 HA TYR 20 5.097 4.415 3.627 112 HB2 TYR 20 1HB TYR 20 6.011 7.270 4.017 113 HB3 TYR 20 2HB TYR 20 6.934 5.809 4.351 114 HD1 TYR 20 2HD TYR 20 5.326 7.699 1.577 115 HD2 TYR 20 1HD TYR 20 8.314 4.889 2.707 116 HE1 TYR 20 2HE TYR 20 6.239 7.762 -0.706 117 HE2 TYR 20 1HE TYR 20 9.237 4.945 0.427 118 HH TYR 20 HH TYR 20 9.251 6.216 -1.523 119 H ASP 21 H ASP 21 3.293 7.220 4.689 120 HA ASP 21 HA ASP 21 3.654 6.775 7.484 121 HB2 ASP 21 1HB ASP 21 3.084 8.985 6.858 122 HB3 ASP 21 2HB ASP 21 1.723 8.442 5.880 123 H LEU 22 H LEU 22 1.132 5.942 5.146 124 HA LEU 22 HA LEU 22 -0.811 4.948 6.833 125 HB2 LEU 22 1HB LEU 22 0.051 4.190 4.068 126 HB3 LEU 22 2HB LEU 22 -1.243 3.307 4.876 127 HG LEU 22 HG LEU 22 -2.205 5.764 5.188 128 HD11 LEU 22 1HD1 LEU 22 -0.272 5.947 2.916 129 HD12 LEU 22 2HD1 LEU 22 -0.601 7.106 4.204 130 HD13 LEU 22 3HD1 LEU 22 -1.764 6.888 2.896 131 HD21 LEU 22 3HD2 LEU 22 -2.386 3.988 2.767 132 HD22 LEU 22 1HD2 LEU 22 -3.411 5.405 2.996 133 HD23 LEU 22 2HD2 LEU 22 -3.483 4.071 4.147 134 H LEU 23 H LEU 23 1.976 3.217 5.464 135 HA LEU 23 HA LEU 23 1.369 0.840 6.999 136 HB2 LEU 23 1HB LEU 23 3.337 1.606 4.918 137 HB3 LEU 23 2HB LEU 23 3.783 0.299 6.013 138 HG LEU 23 HG LEU 23 1.835 -0.980 5.311 139 HD11 LEU 23 1HD1 LEU 23 0.932 0.306 3.021 140 HD12 LEU 23 2HD1 LEU 23 1.015 1.575 4.242 141 HD13 LEU 23 3HD1 LEU 23 0.064 0.121 4.545 142 HD21 LEU 23 3HD2 LEU 23 3.582 0.071 3.095 143 HD22 LEU 23 1HD2 LEU 23 2.477 -1.291 2.901 144 HD23 LEU 23 2HD2 LEU 23 3.808 -1.393 4.054 145 H GLY 24 H GLY 24 3.600 3.545 7.122 146 HA2 GLY 24 1HA GLY 24 4.538 4.342 9.146 147 HA3 GLY 24 2HA GLY 24 4.323 2.745 9.845 148 H VAL 25 H VAL 25 5.646 2.745 6.707 149 HA VAL 25 HA VAL 25 8.236 1.950 7.799 150 HB VAL 25 HB VAL 25 8.727 1.013 5.643 151 HG11 VAL 25 1HG1 VAL 25 6.270 -0.190 5.386 152 HG12 VAL 25 2HG1 VAL 25 7.556 -0.696 6.483 153 HG13 VAL 25 3HG1 VAL 25 6.267 0.359 7.062 154 HG21 VAL 25 3HG2 VAL 25 7.998 2.311 3.938 155 HG22 VAL 25 1HG2 VAL 25 6.631 1.198 3.976 156 HG23 VAL 25 2HG2 VAL 25 6.514 2.766 4.774 157 HA PRO 26 HA PRO 26 10.301 5.667 6.686 158 HB2 PRO 26 1HB PRO 26 12.797 4.707 6.221 159 HB3 PRO 26 2HB PRO 26 12.109 4.847 7.843 160 HG2 PRO 26 1HG PRO 26 12.316 2.441 6.073 161 HG3 PRO 26 2HG PRO 26 12.623 2.579 7.814 162 HD2 PRO 26 1HD PRO 26 10.316 1.570 6.818 163 HD3 PRO 26 2HD PRO 26 10.383 2.471 8.346 164 H SER 27 H SER 27 11.828 6.545 4.950 165 HA SER 27 HA SER 27 10.654 6.063 2.404 166 HB2 SER 27 1HB SER 27 12.248 7.747 1.583 167 HB3 SER 27 2HB SER 27 11.460 8.290 3.064 168 HG SER 27 HG SER 27 13.941 6.953 3.140 169 H THR 28 H THR 28 13.384 4.783 4.061 170 HA THR 28 HA THR 28 14.322 3.501 1.578 171 HB THR 28 HB THR 28 15.988 4.961 2.755 172 HG1 THR 28 1HG THR 28 16.924 2.313 2.919 173 HG21 THR 28 3HG2 THR 28 16.241 2.805 4.815 174 HG22 THR 28 1HG2 THR 28 15.102 4.127 5.060 175 HG23 THR 28 2HG2 THR 28 16.821 4.469 4.862 176 H ALA 29 H ALA 29 12.156 2.710 3.542 177 HA ALA 29 HA ALA 29 12.896 0.558 5.125 178 HB1 ALA 29 3HB ALA 29 10.330 0.393 3.632 179 HB2 ALA 29 1HB ALA 29 10.667 0.108 5.340 180 HB3 ALA 29 2HB ALA 29 10.582 1.758 4.720 181 H THR 30 H THR 30 12.052 -1.770 4.608 182 HA THR 30 HA THR 30 13.038 -2.537 1.938 183 HB THR 30 HB THR 30 13.964 -4.590 2.916 184 HG1 THR 30 1HG THR 30 13.082 -3.416 5.357 185 HG21 THR 30 3HG2 THR 30 15.848 -3.407 3.023 186 HG22 THR 30 1HG2 THR 30 15.445 -2.968 4.683 187 HG23 THR 30 2HG2 THR 30 14.942 -1.930 3.349 188 H GLN 31 H GLN 31 12.184 -4.541 1.089 189 HA GLN 31 HA GLN 31 9.488 -4.758 0.989 190 HB2 GLN 31 1HB GLN 31 9.742 -6.912 0.031 191 HB3 GLN 31 2HB GLN 31 11.194 -6.016 -0.396 192 HG2 GLN 31 1HG GLN 31 12.055 -8.049 0.224 193 HG3 GLN 31 2HG GLN 31 12.195 -7.126 1.720 194 HE21 GLN 31 1HE2 GLN 31 9.500 -8.820 0.156 195 HE22 GLN 31 2HE2 GLN 31 9.116 -9.819 1.512 196 H ALA 32 H ALA 32 11.603 -6.272 3.372 197 HA ALA 32 HA ALA 32 9.768 -7.942 4.631 198 HB1 ALA 32 3HB ALA 32 11.233 -7.789 6.601 199 HB2 ALA 32 1HB ALA 32 12.140 -8.042 5.109 200 HB3 ALA 32 2HB ALA 32 12.084 -6.440 5.847 201 H GLN 33 H GLN 33 10.494 -4.522 5.238 202 HA GLN 33 HA GLN 33 8.608 -4.299 7.380 203 HB2 GLN 33 1HB GLN 33 9.989 -2.164 5.746 204 HB3 GLN 33 2HB GLN 33 9.055 -1.871 7.207 205 HG2 GLN 33 1HG GLN 33 10.656 -3.382 8.411 206 HG3 GLN 33 2HG GLN 33 11.645 -3.371 6.952 207 HE21 GLN 33 1HE2 GLN 33 9.817 -0.822 8.599 208 HE22 GLN 33 2HE2 GLN 33 11.162 0.238 8.823 209 H ILE 34 H ILE 34 8.677 -2.869 4.110 210 HA ILE 34 HA ILE 34 6.183 -1.751 4.037 211 HB ILE 34 HB ILE 34 7.522 -3.214 1.758 212 HG12 ILE 34 1HG1 ILE 34 7.606 -0.268 2.426 213 HG13 ILE 34 2HG1 ILE 34 8.864 -1.405 2.896 214 HG21 ILE 34 1HG2 ILE 34 5.233 -2.832 1.203 215 HG22 ILE 34 2HG2 ILE 34 5.306 -1.176 1.805 216 HG23 ILE 34 3HG2 ILE 34 6.198 -1.626 0.351 217 HD11 ILE 34 3HD1 ILE 34 8.798 -1.939 0.296 218 HD12 ILE 34 1HD1 ILE 34 8.217 -0.275 0.244 219 HD13 ILE 34 2HD1 ILE 34 9.779 -0.641 0.977 220 H LYS 35 H LYS 35 7.009 -5.126 3.905 221 HA LYS 35 HA LYS 35 4.397 -5.973 3.019 222 HB2 LYS 35 1HB LYS 35 6.484 -7.239 2.498 223 HB3 LYS 35 2HB LYS 35 6.632 -7.626 4.207 224 HG2 LYS 35 1HG LYS 35 4.711 -8.981 4.176 225 HG3 LYS 35 2HG LYS 35 4.196 -8.350 2.611 226 HD2 LYS 35 1HD LYS 35 5.933 -9.494 1.476 227 HD3 LYS 35 2HD LYS 35 6.761 -9.880 2.986 228 HE2 LYS 35 1HE LYS 35 4.613 -11.164 3.586 229 HE3 LYS 35 2HE LYS 35 4.234 -11.048 1.868 230 HZ1 LYS 35 3HZ LYS 35 6.909 -11.960 2.394 231 HZ2 LYS 35 1HZ LYS 35 5.730 -12.603 1.365 232 HZ3 LYS 35 2HZ LYS 35 5.721 -12.994 3.011 233 H ALA 36 H ALA 36 6.249 -6.642 5.997 234 HA ALA 36 HA ALA 36 4.247 -7.696 7.537 235 HB1 ALA 36 3HB ALA 36 6.827 -6.509 8.017 236 HB2 ALA 36 1HB ALA 36 5.702 -6.112 9.316 237 HB3 ALA 36 2HB ALA 36 6.003 -7.798 8.894 238 H ALA 37 H ALA 37 4.867 -4.306 6.836 239 HA ALA 37 HA ALA 37 3.129 -3.172 8.732 240 HB1 ALA 37 3HB ALA 37 4.119 -2.175 6.072 241 HB2 ALA 37 1HB ALA 37 3.113 -1.206 7.150 242 HB3 ALA 37 2HB ALA 37 4.704 -1.753 7.681 243 H TYR 38 H TYR 38 2.544 -3.431 5.220 244 HA TYR 38 HA TYR 38 -0.092 -2.789 5.127 245 HB2 TYR 38 1HB TYR 38 0.988 -3.196 3.070 246 HB3 TYR 38 2HB TYR 38 1.462 -4.823 3.542 247 HD1 TYR 38 1HD TYR 38 -1.392 -2.722 2.501 248 HD2 TYR 38 2HD TYR 38 0.016 -6.678 3.186 249 HE1 TYR 38 1HE TYR 38 -3.392 -3.620 1.385 250 HE2 TYR 38 2HE TYR 38 -1.979 -7.587 2.071 251 HH TYR 38 HH TYR 38 -4.706 -5.722 1.376 252 H TYR 39 H TYR 39 1.296 -5.797 6.252 253 HA TYR 39 HA TYR 39 -1.158 -7.246 6.356 254 HB2 TYR 39 1HB TYR 39 1.627 -7.672 7.310 255 HB3 TYR 39 2HB TYR 39 0.355 -8.601 8.096 256 HD1 TYR 39 1HD TYR 39 -1.422 -9.545 6.210 257 HD2 TYR 39 2HD TYR 39 2.728 -8.802 5.640 258 HE1 TYR 39 1HE TYR 39 -1.394 -11.159 4.354 259 HE2 TYR 39 2HE TYR 39 2.767 -10.413 3.782 260 HH TYR 39 HH TYR 39 -0.184 -12.100 2.750 261 H ARG 40 H ARG 40 0.924 -6.216 9.062 262 HA ARG 40 HA ARG 40 -0.860 -6.554 11.111 263 HB2 ARG 40 1HB ARG 40 0.488 -5.107 12.419 264 HB3 ARG 40 2HB ARG 40 1.574 -5.870 11.265 265 HG2 ARG 40 1HG ARG 40 1.655 -3.896 9.926 266 HG3 ARG 40 2HG ARG 40 0.384 -3.134 10.885 267 HD2 ARG 40 1HD ARG 40 2.272 -2.159 11.771 268 HD3 ARG 40 2HD ARG 40 2.035 -3.523 12.864 269 HE ARG 40 HE ARG 40 3.745 -4.181 10.677 270 HH11 ARG 40 1HH1 ARG 40 3.635 -2.610 13.782 271 HH12 ARG 40 2HH1 ARG 40 5.317 -2.859 14.113 272 HH21 ARG 40 1HH2 ARG 40 5.961 -4.515 11.101 273 HH22 ARG 40 2HH2 ARG 40 6.640 -3.942 12.587 274 H GLN 41 H GLN 41 -0.933 -4.170 8.632 275 HA GLN 41 HA GLN 41 -2.493 -2.210 9.962 276 HB2 GLN 41 1HB GLN 41 -1.871 -2.820 7.095 277 HB3 GLN 41 2HB GLN 41 -3.109 -1.634 7.486 278 HG2 GLN 41 1HG GLN 41 -0.173 -1.542 8.039 279 HG3 GLN 41 2HG GLN 41 -1.186 -0.369 7.200 280 HE21 GLN 41 1HE2 GLN 41 0.657 -0.338 9.634 281 HE22 GLN 41 2HE2 GLN 41 -0.273 0.482 10.836 282 H CYS 42 H CYS 42 -3.475 -4.486 7.393 283 HA CYS 42 HA CYS 42 -6.154 -4.152 7.391 284 HB2 CYS 42 1HB CYS 42 -4.668 -5.865 6.116 285 HB3 CYS 42 2HB CYS 42 -5.073 -6.953 7.438 286 HG CYS 42 HG CYS 42 -7.510 -7.508 6.722 287 H PHE 43 H PHE 43 -4.391 -6.252 9.655 288 HA PHE 43 HA PHE 43 -6.401 -7.385 11.079 289 HB2 PHE 43 1HB PHE 43 -4.221 -7.957 11.735 290 HB3 PHE 43 2HB PHE 43 -3.756 -6.276 11.981 291 HD1 PHE 43 1HD PHE 43 -4.476 -5.071 13.988 292 HD2 PHE 43 2HD PHE 43 -5.323 -9.206 13.442 293 HE1 PHE 43 1HE PHE 43 -4.981 -5.280 16.387 294 HE2 PHE 43 2HE PHE 43 -5.831 -9.422 15.840 295 HZ PHE 43 HZ PHE 43 -5.661 -7.458 17.316 296 H LEU 44 H LEU 44 -5.101 -4.121 11.618 297 HA LEU 44 HA LEU 44 -6.591 -3.349 13.793 298 HB2 LEU 44 1HB LEU 44 -5.630 -1.804 11.407 299 HB3 LEU 44 2HB LEU 44 -6.489 -1.022 12.732 300 HG LEU 44 HG LEU 44 -4.056 -2.646 13.331 301 HD11 LEU 44 1HD1 LEU 44 -2.577 -1.199 12.475 302 HD12 LEU 44 2HD1 LEU 44 -3.572 0.204 12.864 303 HD13 LEU 44 3HD1 LEU 44 -3.898 -0.731 11.404 304 HD21 LEU 44 3HD2 LEU 44 -4.616 -1.877 15.345 305 HD22 LEU 44 1HD2 LEU 44 -5.789 -0.746 14.669 306 HD23 LEU 44 2HD2 LEU 44 -4.089 -0.289 14.785 307 H TYR 45 H TYR 45 -7.583 -3.566 10.434 308 HA TYR 45 HA TYR 45 -10.343 -2.994 11.284 309 HB2 TYR 45 1HB TYR 45 -9.052 -2.175 8.673 310 HB3 TYR 45 2HB TYR 45 -10.748 -1.949 9.085 311 HD1 TYR 45 2HD TYR 45 -7.301 -0.926 9.958 312 HD2 TYR 45 1HD TYR 45 -11.453 -0.102 10.393 313 HE1 TYR 45 2HE TYR 45 -6.758 1.248 10.971 314 HE2 TYR 45 1HE TYR 45 -10.921 2.075 11.405 315 HH TYR 45 HH TYR 45 -8.542 2.937 12.771 316 H HIS 46 H HIS 46 -11.409 -4.856 11.197 317 HA HIS 46 HA HIS 46 -10.955 -6.620 8.879 318 HB2 HIS 46 1HB HIS 46 -11.261 -7.218 11.776 319 HB3 HIS 46 2HB HIS 46 -11.999 -8.343 10.640 320 HD2 HIS 46 2HD HIS 46 -8.813 -8.114 12.437 321 HE1 HIS 46 1HE HIS 46 -7.753 -9.832 8.705 322 HE2 HIS 46 2HE HIS 46 -7.050 -9.447 11.093 323 HA PRO 47 HA PRO 47 -15.196 -6.173 7.830 324 HB2 PRO 47 1HB PRO 47 -15.678 -8.578 6.668 325 HB3 PRO 47 2HB PRO 47 -14.704 -7.318 5.900 326 HG2 PRO 47 1HG PRO 47 -13.813 -9.744 7.411 327 HG3 PRO 47 2HG PRO 47 -13.174 -9.069 5.901 328 HD2 PRO 47 1HD PRO 47 -11.978 -8.668 8.297 329 HD3 PRO 47 2HD PRO 47 -11.938 -7.461 6.996 330 H ASP 48 H ASP 48 -14.134 -8.616 9.998 331 HA ASP 48 HA ASP 48 -16.641 -9.819 10.572 332 HB2 ASP 48 1HB ASP 48 -14.128 -9.634 12.248 333 HB3 ASP 48 2HB ASP 48 -15.507 -10.670 12.609 334 H ARG 49 H ARG 49 -14.724 -7.405 12.368 335 HA ARG 49 HA ARG 49 -16.841 -6.862 14.210 336 HB2 ARG 49 1HB ARG 49 -14.122 -5.766 13.684 337 HB3 ARG 49 2HB ARG 49 -15.248 -4.760 14.585 338 HG2 ARG 49 1HG ARG 49 -15.316 -6.202 16.377 339 HG3 ARG 49 2HG ARG 49 -14.828 -7.594 15.408 340 HD2 ARG 49 1HD ARG 49 -13.044 -5.262 16.096 341 HD3 ARG 49 2HD ARG 49 -13.063 -6.800 16.957 342 HE ARG 49 HE ARG 49 -12.645 -7.217 14.189 343 HH11 ARG 49 1HH1 ARG 49 -11.041 -6.099 17.069 344 HH12 ARG 49 2HH1 ARG 49 -9.459 -6.540 16.517 345 HH21 ARG 49 1HH2 ARG 49 -10.568 -7.802 13.450 346 HH22 ARG 49 2HH2 ARG 49 -9.192 -7.507 14.457 347 H ASN 50 H ASN 50 -15.263 -4.738 11.811 348 HA ASN 50 HA ASN 50 -17.140 -2.695 11.880 349 HB2 ASN 50 1HB ASN 50 -15.320 -3.626 9.657 350 HB3 ASN 50 2HB ASN 50 -16.299 -2.166 9.543 351 HD21 ASN 50 1HD2 ASN 50 -13.605 -3.699 11.113 352 HD22 ASN 50 2HD2 ASN 50 -12.930 -2.265 11.800 353 H SER 51 H SER 51 -19.219 -3.613 11.969 354 HA SER 51 HA SER 51 -20.363 -5.445 10.274 355 HB2 SER 51 1HB SER 51 -22.527 -4.435 10.836 356 HB3 SER 51 2HB SER 51 -21.493 -4.519 12.262 357 HG SER 51 HG SER 51 -21.447 -2.412 12.351 358 H GLY 52 H GLY 52 -20.192 -1.920 9.814 359 HA2 GLY 52 1HA GLY 52 -19.991 -2.182 6.981 360 HA3 GLY 52 2HA GLY 52 -21.607 -1.680 7.457 361 H SER 53 H SER 53 -18.382 -0.834 8.705 362 HA SER 53 HA SER 53 -19.070 1.896 9.047 363 HB2 SER 53 1HB SER 53 -16.444 0.412 9.108 364 HB3 SER 53 2HB SER 53 -16.540 2.155 9.359 365 HG SER 53 HG SER 53 -18.300 1.344 10.966 366 H ALA 54 H ALA 54 -19.083 3.509 7.632 367 HA ALA 54 HA ALA 54 -18.488 3.103 4.891 368 HB1 ALA 54 3HB ALA 54 -18.779 5.807 6.154 369 HB2 ALA 54 1HB ALA 54 -19.246 5.282 4.536 370 HB3 ALA 54 2HB ALA 54 -20.162 4.734 5.941 371 H GLU 55 H GLU 55 -16.834 4.904 7.468 372 HA GLU 55 HA GLU 55 -14.772 5.977 5.915 373 HB2 GLU 55 1HB GLU 55 -15.019 5.297 8.829 374 HB3 GLU 55 2HB GLU 55 -13.497 5.889 8.179 375 HG2 GLU 55 1HG GLU 55 -14.469 7.830 8.905 376 HG3 GLU 55 2HG GLU 55 -14.963 7.806 7.213 377 H ALA 56 H ALA 56 -14.681 3.070 7.983 378 HA ALA 56 HA ALA 56 -12.225 2.090 7.601 379 HB1 ALA 56 3HB ALA 56 -14.122 -0.035 7.055 380 HB2 ALA 56 1HB ALA 56 -13.062 0.206 8.444 381 HB3 ALA 56 2HB ALA 56 -14.638 0.997 8.389 382 H ALA 57 H ALA 57 -14.798 1.993 5.180 383 HA ALA 57 HA ALA 57 -13.496 0.420 3.264 384 HB1 ALA 57 3HB ALA 57 -15.826 0.830 3.028 385 HB2 ALA 57 1HB ALA 57 -15.577 2.575 2.967 386 HB3 ALA 57 2HB ALA 57 -15.028 1.558 1.634 387 H GLU 58 H GLU 58 -13.941 3.956 3.063 388 HA GLU 58 HA GLU 58 -12.155 4.468 1.044 389 HB2 GLU 58 1HB GLU 58 -11.966 6.758 1.976 390 HB3 GLU 58 2HB GLU 58 -13.627 6.188 1.886 391 HG2 GLU 58 1HG GLU 58 -13.726 5.819 4.220 392 HG3 GLU 58 2HG GLU 58 -11.985 6.035 4.395 393 H ARG 59 H ARG 59 -11.491 4.025 4.472 394 HA ARG 59 HA ARG 59 -8.720 4.739 4.258 395 HB2 ARG 59 1HB ARG 59 -9.734 5.083 6.380 396 HB3 ARG 59 2HB ARG 59 -10.362 3.441 6.425 397 HG2 ARG 59 1HG ARG 59 -8.085 2.575 6.634 398 HG3 ARG 59 2HG ARG 59 -7.460 4.225 6.595 399 HD2 ARG 59 1HD ARG 59 -7.798 3.064 8.880 400 HD3 ARG 59 2HD ARG 59 -8.319 4.737 8.685 401 HE ARG 59 HE ARG 59 -10.007 2.410 9.053 402 HH11 ARG 59 1HH1 ARG 59 -9.800 5.766 8.147 403 HH12 ARG 59 2HH1 ARG 59 -11.479 6.083 8.438 404 HH21 ARG 59 1HH2 ARG 59 -12.219 2.815 9.439 405 HH22 ARG 59 2HH2 ARG 59 -12.853 4.404 9.174 406 H PHE 60 H PHE 60 -10.596 1.820 3.983 407 HA PHE 60 HA PHE 60 -8.469 -0.028 4.311 408 HB2 PHE 60 1HB PHE 60 -10.866 -0.635 4.514 409 HB3 PHE 60 2HB PHE 60 -11.054 -0.385 2.781 410 HD1 PHE 60 1HD PHE 60 -8.672 -2.208 5.007 411 HD2 PHE 60 2HD PHE 60 -11.165 -2.312 1.559 412 HE1 PHE 60 1HE PHE 60 -8.011 -4.544 4.604 413 HE2 PHE 60 2HE PHE 60 -10.509 -4.648 1.151 414 HZ PHE 60 HZ PHE 60 -8.931 -5.767 2.675 415 H THR 61 H THR 61 -10.002 1.397 1.443 416 HA THR 61 HA THR 61 -8.462 0.045 -0.478 417 HB THR 61 HB THR 61 -10.595 1.534 -0.761 418 HG1 THR 61 1HG THR 61 -9.853 1.906 -3.010 419 HG21 THR 61 3HG2 THR 61 -10.223 3.771 -1.476 420 HG22 THR 61 1HG2 THR 61 -8.474 3.554 -1.472 421 HG23 THR 61 2HG2 THR 61 -9.361 3.586 0.051 422 H ARG 62 H ARG 62 -7.943 3.102 1.217 423 HA ARG 62 HA ARG 62 -5.748 4.031 -0.232 424 HB2 ARG 62 1HB ARG 62 -6.640 4.417 2.612 425 HB3 ARG 62 2HB ARG 62 -5.142 5.135 2.033 426 HG2 ARG 62 1HG ARG 62 -6.677 6.051 0.121 427 HG3 ARG 62 2HG ARG 62 -7.956 5.770 1.304 428 HD2 ARG 62 1HD ARG 62 -5.477 7.249 2.087 429 HD3 ARG 62 2HD ARG 62 -6.763 8.080 1.213 430 HE ARG 62 HE ARG 62 -8.021 6.825 3.296 431 HH11 ARG 62 1HH1 ARG 62 -5.424 9.122 2.980 432 HH12 ARG 62 2HH1 ARG 62 -5.745 9.890 4.500 433 HH21 ARG 62 1HH2 ARG 62 -8.453 7.828 5.298 434 HH22 ARG 62 2HH2 ARG 62 -7.467 9.153 5.818 435 H ILE 63 H ILE 63 -5.874 1.893 2.596 436 HA ILE 63 HA ILE 63 -3.146 1.639 3.068 437 HB ILE 63 HB ILE 63 -5.306 -0.441 3.429 438 HG12 ILE 63 1HG1 ILE 63 -4.063 1.327 5.532 439 HG13 ILE 63 2HG1 ILE 63 -5.490 1.818 4.626 440 HG21 ILE 63 1HG2 ILE 63 -3.016 -0.580 5.212 441 HG22 ILE 63 2HG2 ILE 63 -3.810 -1.854 4.287 442 HG23 ILE 63 3HG2 ILE 63 -2.581 -0.846 3.523 443 HD11 ILE 63 3HD1 ILE 63 -6.516 -0.383 5.423 444 HD12 ILE 63 1HD1 ILE 63 -5.191 -0.421 6.586 445 HD13 ILE 63 2HD1 ILE 63 -6.335 0.922 6.594 446 H SER 64 H SER 64 -5.240 -0.248 0.911 447 HA SER 64 HA SER 64 -3.363 -2.123 0.060 448 HB2 SER 64 1HB SER 64 -5.925 -1.940 -0.414 449 HB3 SER 64 2HB SER 64 -5.419 -1.024 -1.833 450 HG SER 64 HG SER 64 -5.603 -3.566 -1.730 451 H GLN 65 H GLN 65 -4.209 1.018 -1.381 452 HA GLN 65 HA GLN 65 -2.639 1.046 -3.604 453 HB2 GLN 65 1HB GLN 65 -2.923 3.364 -1.686 454 HB3 GLN 65 2HB GLN 65 -2.523 3.467 -3.395 455 HG2 GLN 65 1HG GLN 65 -4.823 2.179 -3.631 456 HG3 GLN 65 2HG GLN 65 -5.128 2.959 -2.079 457 HE21 GLN 65 1HE2 GLN 65 -6.845 3.882 -3.572 458 HE22 GLN 65 2HE2 GLN 65 -6.451 5.366 -4.363 459 H ALA 66 H ALA 66 -1.577 1.983 -0.336 460 HA ALA 66 HA ALA 66 1.023 2.675 -0.816 461 HB1 ALA 66 3HB ALA 66 -0.296 1.328 1.501 462 HB2 ALA 66 1HB ALA 66 1.451 1.571 1.502 463 HB3 ALA 66 2HB ALA 66 0.368 2.957 1.378 464 H TYR 67 H TYR 67 -0.353 -0.553 -0.722 465 HA TYR 67 HA TYR 67 2.251 -1.812 -0.969 466 HB2 TYR 67 1HB TYR 67 0.127 -2.700 0.298 467 HB3 TYR 67 2HB TYR 67 -0.330 -3.295 -1.294 468 HD1 TYR 67 1HD TYR 67 3.009 -3.121 0.364 469 HD2 TYR 67 2HD TYR 67 -0.053 -5.598 -1.245 470 HE1 TYR 67 1HE TYR 67 4.438 -5.094 0.698 471 HE2 TYR 67 2HE TYR 67 1.367 -7.579 -0.914 472 HH TYR 67 HH TYR 67 4.365 -7.416 0.850 473 H VAL 68 H VAL 68 1.181 -0.003 -3.072 474 HA VAL 68 HA VAL 68 1.334 -1.897 -5.325 475 HB VAL 68 HB VAL 68 -0.317 0.629 -5.183 476 HG11 VAL 68 1HG1 VAL 68 0.736 -0.887 -7.442 477 HG12 VAL 68 2HG1 VAL 68 -1.016 -0.676 -7.492 478 HG13 VAL 68 3HG1 VAL 68 0.040 0.733 -7.388 479 HG21 VAL 68 3HG2 VAL 68 -2.055 -0.653 -4.644 480 HG22 VAL 68 1HG2 VAL 68 -1.701 -1.781 -5.952 481 HG23 VAL 68 2HG2 VAL 68 -0.919 -1.976 -4.384 482 H VAL 69 H VAL 69 1.643 1.580 -4.578 483 HA VAL 69 HA VAL 69 3.395 2.135 -6.725 484 HB VAL 69 HB VAL 69 3.017 3.664 -4.146 485 HG11 VAL 69 1HG1 VAL 69 4.854 4.024 -6.311 486 HG12 VAL 69 2HG1 VAL 69 3.713 5.370 -6.272 487 HG13 VAL 69 3HG1 VAL 69 4.666 4.978 -4.840 488 HG21 VAL 69 3HG2 VAL 69 1.742 5.093 -6.059 489 HG22 VAL 69 1HG2 VAL 69 1.449 3.449 -6.625 490 HG23 VAL 69 2HG2 VAL 69 0.948 3.925 -5.002 491 H LEU 70 H LEU 70 3.923 1.181 -3.384 492 HA LEU 70 HA LEU 70 6.821 1.376 -3.744 493 HB2 LEU 70 1HB LEU 70 5.459 0.519 -1.220 494 HB3 LEU 70 2HB LEU 70 7.038 1.275 -1.426 495 HG LEU 70 HG LEU 70 4.575 2.819 -2.111 496 HD11 LEU 70 1HD1 LEU 70 5.578 3.117 0.636 497 HD12 LEU 70 2HD1 LEU 70 4.683 1.634 0.311 498 HD13 LEU 70 3HD1 LEU 70 3.932 3.200 0.009 499 HD21 LEU 70 3HD2 LEU 70 7.104 3.751 -0.791 500 HD22 LEU 70 1HD2 LEU 70 5.922 4.689 -1.704 501 HD23 LEU 70 2HD2 LEU 70 6.985 3.556 -2.541 502 H GLY 71 H GLY 71 4.242 -0.927 -3.529 503 HA2 GLY 71 1HA GLY 71 5.428 -3.241 -2.687 504 HA3 GLY 71 2HA GLY 71 4.239 -3.186 -3.981 505 H SER 72 H SER 72 6.120 -1.492 -5.603 506 HA SER 72 HA SER 72 7.959 -3.649 -6.416 507 HB2 SER 72 1HB SER 72 6.389 -1.711 -8.123 508 HB3 SER 72 2HB SER 72 7.719 -2.688 -8.747 509 HG SER 72 HG SER 72 5.257 -3.418 -8.617 510 H ALA 73 H ALA 73 10.047 -3.155 -6.380 511 HA ALA 73 HA ALA 73 11.090 -0.781 -5.425 512 HB1 ALA 73 3HB ALA 73 12.583 -2.522 -5.314 513 HB2 ALA 73 1HB ALA 73 12.245 -3.061 -6.959 514 HB3 ALA 73 2HB ALA 73 13.226 -1.621 -6.687 515 H THR 74 H THR 74 10.710 -1.818 -8.800 516 HA THR 74 HA THR 74 11.958 0.255 -10.108 517 HB THR 74 HB THR 74 9.355 -0.990 -11.008 518 HG1 THR 74 1HG THR 74 12.013 -1.949 -11.004 519 HG21 THR 74 3HG2 THR 74 11.441 0.677 -12.289 520 HG22 THR 74 1HG2 THR 74 9.712 0.575 -12.619 521 HG23 THR 74 2HG2 THR 74 10.803 -0.664 -13.240 522 H LEU 75 H LEU 75 8.477 0.120 -9.324 523 HA LEU 75 HA LEU 75 7.687 2.588 -10.168 524 HB2 LEU 75 1HB LEU 75 6.840 1.266 -7.594 525 HB3 LEU 75 2HB LEU 75 5.950 2.519 -8.458 526 HG LEU 75 HG LEU 75 6.512 -0.233 -9.558 527 HD11 LEU 75 1HD1 LEU 75 4.475 -0.967 -8.811 528 HD12 LEU 75 2HD1 LEU 75 3.814 0.662 -8.668 529 HD13 LEU 75 3HD1 LEU 75 4.960 0.066 -7.466 530 HD21 LEU 75 3HD2 LEU 75 4.664 1.967 -10.478 531 HD22 LEU 75 1HD2 LEU 75 4.809 0.366 -11.203 532 HD23 LEU 75 2HD2 LEU 75 6.171 1.485 -11.258 533 H ARG 76 H ARG 76 8.863 1.872 -6.875 534 HA ARG 76 HA ARG 76 8.829 4.305 -5.711 535 HB2 ARG 76 1HB ARG 76 10.819 2.077 -5.579 536 HB3 ARG 76 2HB ARG 76 11.168 3.581 -4.736 537 HG2 ARG 76 1HG ARG 76 9.471 3.292 -3.225 538 HG3 ARG 76 2HG ARG 76 8.523 2.283 -4.319 539 HD2 ARG 76 1HD ARG 76 9.275 0.704 -2.837 540 HD3 ARG 76 2HD ARG 76 10.550 0.640 -4.053 541 HE ARG 76 HE ARG 76 11.131 2.509 -1.976 542 HH11 ARG 76 1HH1 ARG 76 11.182 -0.870 -2.811 543 HH12 ARG 76 2HH1 ARG 76 12.458 -1.258 -1.705 544 HH21 ARG 76 1HH2 ARG 76 12.811 2.011 -0.516 545 HH22 ARG 76 2HH2 ARG 76 13.383 0.381 -0.399 546 H ARG 77 H ARG 77 11.432 3.159 -7.852 547 HA ARG 77 HA ARG 77 12.962 5.511 -7.790 548 HB2 ARG 77 1HB ARG 77 12.743 3.473 -10.014 549 HB3 ARG 77 2HB ARG 77 14.034 4.652 -9.823 550 HG2 ARG 77 1HG ARG 77 15.020 3.507 -8.118 551 HG3 ARG 77 2HG ARG 77 13.501 2.796 -7.570 552 HD2 ARG 77 1HD ARG 77 13.604 1.076 -9.074 553 HD3 ARG 77 2HD ARG 77 14.524 2.016 -10.248 554 HE ARG 77 HE ARG 77 15.586 0.267 -8.315 555 HH11 ARG 77 1HH1 ARG 77 16.162 3.390 -9.741 556 HH12 ARG 77 2HH1 ARG 77 17.875 3.337 -9.481 557 HH21 ARG 77 1HH2 ARG 77 17.838 0.185 -7.968 558 HH22 ARG 77 2HH2 ARG 77 18.827 1.513 -8.474 559 H LYS 78 H LYS 78 10.211 4.556 -9.745 560 HA LYS 78 HA LYS 78 10.393 6.599 -11.685 561 HB2 LYS 78 1HB LYS 78 7.953 5.122 -10.682 562 HB3 LYS 78 2HB LYS 78 8.027 6.085 -12.151 563 HG2 LYS 78 1HG LYS 78 10.022 4.446 -12.704 564 HG3 LYS 78 2HG LYS 78 9.151 3.399 -11.580 565 HD2 LYS 78 1HD LYS 78 7.329 3.206 -12.959 566 HD3 LYS 78 2HD LYS 78 7.609 4.771 -13.727 567 HE2 LYS 78 1HE LYS 78 9.232 3.920 -15.152 568 HE3 LYS 78 2HE LYS 78 9.545 2.523 -14.123 569 HZ1 LYS 78 3HZ LYS 78 8.241 2.159 -16.266 570 HZ2 LYS 78 1HZ LYS 78 6.937 2.880 -15.463 571 HZ3 LYS 78 2HZ LYS 78 7.627 1.461 -14.852 572 H TYR 79 H TYR 79 7.970 6.357 -9.079 573 HA TYR 79 HA TYR 79 6.999 8.915 -9.180 574 HB2 TYR 79 1HB TYR 79 6.197 6.993 -7.725 575 HB3 TYR 79 2HB TYR 79 7.452 7.452 -6.579 576 HD1 TYR 79 1HD TYR 79 4.699 9.089 -8.516 577 HD2 TYR 79 2HD TYR 79 6.812 8.809 -4.834 578 HE1 TYR 79 1HE TYR 79 3.178 10.747 -7.525 579 HE2 TYR 79 2HE TYR 79 5.296 10.466 -3.831 580 HH TYR 79 HH TYR 79 2.394 11.307 -5.097 581 H ASP 80 H ASP 80 9.968 7.791 -7.695 582 HA ASP 80 HA ASP 80 10.627 9.978 -6.121 583 HB2 ASP 80 1HB ASP 80 12.204 7.888 -7.552 584 HB3 ASP 80 2HB ASP 80 13.068 9.272 -6.887 585 H ARG 81 H ARG 81 11.117 9.476 -9.586 586 HA ARG 81 HA ARG 81 12.116 12.230 -9.815 587 HB2 ARG 81 1HB ARG 81 12.138 10.296 -12.097 588 HB3 ARG 81 2HB ARG 81 13.240 11.621 -11.747 589 HG2 ARG 81 1HG ARG 81 13.107 9.095 -10.120 590 HG3 ARG 81 2HG ARG 81 14.207 9.335 -11.479 591 HD2 ARG 81 1HD ARG 81 14.090 10.981 -8.954 592 HD3 ARG 81 2HD ARG 81 15.331 9.802 -9.376 593 HE ARG 81 HE ARG 81 15.062 12.494 -10.396 594 HH11 ARG 81 1HH1 ARG 81 16.490 9.348 -10.826 595 HH12 ARG 81 2HH1 ARG 81 17.790 9.929 -11.813 596 HH21 ARG 81 1HH2 ARG 81 16.768 13.271 -11.694 597 HH22 ARG 81 2HH2 ARG 81 17.948 12.161 -12.306 598 H GLY 82 H GLY 82 9.258 10.744 -9.857 599 HA2 GLY 82 1HA GLY 82 7.196 11.492 -10.583 600 HA3 GLY 82 2HA GLY 82 8.011 12.813 -11.405 601 H LEU 83 H LEU 83 8.867 9.476 -11.966 602 HA LEU 83 HA LEU 83 8.193 9.781 -14.768 603 HB2 LEU 83 1HB LEU 83 9.398 7.422 -13.332 604 HB3 LEU 83 2HB LEU 83 9.327 7.663 -15.076 605 HG LEU 83 HG LEU 83 10.764 9.676 -13.412 606 HD11 LEU 83 1HD1 LEU 83 12.107 8.125 -12.541 607 HD12 LEU 83 2HD1 LEU 83 12.736 7.919 -14.175 608 HD13 LEU 83 3HD1 LEU 83 11.461 6.856 -13.581 609 HD21 LEU 83 3HD2 LEU 83 10.296 9.625 -16.002 610 HD22 LEU 83 1HD2 LEU 83 11.695 8.552 -16.007 611 HD23 LEU 83 2HD2 LEU 83 11.842 10.189 -15.365 612 H LEU 84 H LEU 84 6.736 8.529 -11.971 613 HA LEU 84 HA LEU 84 5.223 6.423 -13.143 614 HB2 LEU 84 1HB LEU 84 5.693 6.659 -10.714 615 HB3 LEU 84 2HB LEU 84 4.593 8.035 -10.675 616 HG LEU 84 HG LEU 84 2.915 6.221 -11.664 617 HD11 LEU 84 1HD1 LEU 84 3.753 4.165 -11.661 618 HD12 LEU 84 2HD1 LEU 84 3.745 4.239 -9.899 619 HD13 LEU 84 3HD1 LEU 84 5.198 4.685 -10.793 620 HD21 LEU 84 3HD2 LEU 84 2.308 5.727 -9.239 621 HD22 LEU 84 1HD2 LEU 84 2.348 7.421 -9.728 622 HD23 LEU 84 2HD2 LEU 84 3.688 6.737 -8.807 623 H SER 85 H SER 85 3.553 6.573 -14.474 624 HA SER 85 HA SER 85 2.250 9.156 -14.849 625 HB2 SER 85 1HB SER 85 2.451 6.637 -16.450 626 HB3 SER 85 2HB SER 85 1.091 7.721 -16.740 627 HG SER 85 HG SER 85 2.418 8.876 -17.868 628 H ASP 86 H ASP 86 -0.048 9.371 -14.892 629 HA ASP 86 HA ASP 86 -1.388 8.383 -12.699 630 HB2 ASP 86 1HB ASP 86 -3.489 9.074 -13.902 631 HB3 ASP 86 2HB ASP 86 -2.238 10.312 -13.837 632 H GLU 87 H GLU 87 -1.432 7.141 -16.021 633 HA GLU 87 HA GLU 87 -3.358 5.213 -15.876 634 HB2 GLU 87 1HB GLU 87 -0.742 5.348 -17.317 635 HB3 GLU 87 2HB GLU 87 -1.667 3.855 -17.374 636 HG2 GLU 87 1HG GLU 87 -3.623 5.255 -18.157 637 HG3 GLU 87 2HG GLU 87 -2.468 6.570 -18.369 638 H ASP 88 H ASP 88 -0.082 5.054 -14.589 639 HA ASP 88 HA ASP 88 -0.194 2.316 -13.830 640 HB2 ASP 88 1HB ASP 88 1.585 4.615 -13.038 641 HB3 ASP 88 2HB ASP 88 1.755 3.019 -12.312 642 H LEU 89 H LEU 89 -0.727 5.354 -12.076 643 HA LEU 89 HA LEU 89 -1.113 4.329 -9.527 644 HB2 LEU 89 1HB LEU 89 -2.217 6.726 -10.946 645 HB3 LEU 89 2HB LEU 89 -2.699 6.353 -9.292 646 HG LEU 89 HG LEU 89 0.198 6.626 -10.008 647 HD11 LEU 89 1HD1 LEU 89 -1.632 8.660 -10.452 648 HD12 LEU 89 2HD1 LEU 89 0.112 8.833 -10.255 649 HD13 LEU 89 3HD1 LEU 89 -0.954 9.019 -8.863 650 HD21 LEU 89 3HD2 LEU 89 -1.164 7.406 -7.458 651 HD22 LEU 89 1HD2 LEU 89 0.517 6.949 -7.731 652 HD23 LEU 89 2HD2 LEU 89 -0.749 5.723 -7.783 653 H ARG 90 H ARG 90 -3.663 5.138 -11.892 654 HA ARG 90 HA ARG 90 -5.666 3.749 -10.381 655 HB2 ARG 90 1HB ARG 90 -7.156 4.304 -12.248 656 HB3 ARG 90 2HB ARG 90 -6.245 5.711 -11.717 657 HG2 ARG 90 1HG ARG 90 -4.670 5.338 -13.596 658 HG3 ARG 90 2HG ARG 90 -5.717 4.033 -14.157 659 HD2 ARG 90 1HD ARG 90 -7.541 5.570 -14.484 660 HD3 ARG 90 2HD ARG 90 -6.611 6.884 -13.765 661 HE ARG 90 HE ARG 90 -5.342 5.712 -16.057 662 HH11 ARG 90 1HH1 ARG 90 -7.677 8.057 -14.978 663 HH12 ARG 90 2HH1 ARG 90 -7.540 9.040 -16.398 664 HH21 ARG 90 1HH2 ARG 90 -5.152 6.998 -17.931 665 HH22 ARG 90 2HH2 ARG 90 -6.104 8.436 -18.077 666 H GLY 91 H GLY 91 -3.858 3.123 -13.364 667 HA2 GLY 91 1HA GLY 91 -3.901 1.254 -14.755 668 HA3 GLY 91 2HA GLY 91 -3.451 0.493 -13.236 669 HA PRO 92 HA PRO 92 -7.033 -2.025 -13.619 670 HB2 PRO 92 1HB PRO 92 -7.292 -2.798 -11.030 671 HB3 PRO 92 2HB PRO 92 -6.030 -3.423 -12.097 672 HG2 PRO 92 1HG PRO 92 -5.863 -1.266 -10.028 673 HG3 PRO 92 2HG PRO 92 -4.719 -2.577 -10.373 674 HD2 PRO 92 1HD PRO 92 -4.340 -0.043 -11.250 675 HD3 PRO 92 2HD PRO 92 -3.788 -1.462 -12.163 676 H GLY 93 H GLY 93 -9.258 -2.072 -13.138 677 HA2 GLY 93 1HA GLY 93 -11.264 -1.316 -12.219 678 HA3 GLY 93 2HA GLY 93 -10.359 -0.153 -11.262 679 H SER 94 H SER 94 -9.691 1.824 -12.252 680 HA SER 94 HA SER 94 -10.054 3.699 -13.487 681 HB2 SER 94 1HB SER 94 -10.402 1.552 -15.566 682 HB3 SER 94 2HB SER 94 -10.621 3.253 -15.975 683 HG SER 94 HG SER 94 -8.538 3.347 -16.118 684 H GLY 95 H GLY 95 -12.163 2.900 -11.875 685 HA2 GLY 95 1HA GLY 95 -14.505 3.633 -13.523 686 HA3 GLY 95 2HA GLY 95 -14.603 2.545 -12.146 687 HA PRO 96 HA PRO 96 -15.563 5.910 -9.512 688 HB2 PRO 96 1HB PRO 96 -14.387 5.146 -7.187 689 HB3 PRO 96 2HB PRO 96 -15.842 4.372 -7.828 690 HG2 PRO 96 1HG PRO 96 -12.990 3.477 -7.995 691 HG3 PRO 96 2HG PRO 96 -14.444 2.523 -7.649 692 HD2 PRO 96 1HD PRO 96 -13.272 2.561 -10.090 693 HD3 PRO 96 2HD PRO 96 -15.024 2.368 -9.874 694 H SER 97 H SER 97 -14.597 7.564 -8.038 695 HA SER 97 HA SER 97 -12.496 8.915 -9.244 696 HB2 SER 97 1HB SER 97 -14.278 9.659 -7.437 697 HB3 SER 97 2HB SER 97 -12.967 9.294 -6.315 698 HG SER 97 HG SER 97 -12.531 10.917 -8.578 699 H SER 98 H SER 98 -10.454 9.605 -7.986 700 HA SER 98 HA SER 98 -9.219 7.270 -6.693 701 HB2 SER 98 1HB SER 98 -8.594 7.568 -9.167 702 HB3 SER 98 2HB SER 98 -7.713 9.004 -8.647 703 HG SER 98 HG SER 98 -7.215 6.302 -8.085 704 H GLY 99 H GLY 99 -9.264 8.144 -4.653 705 HA2 GLY 99 1HA GLY 99 -7.739 10.651 -4.292 706 HA3 GLY 99 2HA GLY 99 -9.087 10.182 -3.267 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 21.259 -2.376 19.961 2 HA2 GLY 1 1HA GLY 1 23.266 -1.457 21.310 3 HA3 GLY 1 2HA GLY 1 23.353 -0.310 19.981 4 H SER 2 H SER 2 21.423 1.029 19.590 5 HA SER 2 HA SER 2 20.581 2.302 21.953 6 HB2 SER 2 1HB SER 2 20.695 3.174 19.485 7 HB3 SER 2 2HB SER 2 19.040 2.572 19.392 8 HG SER 2 HG SER 2 20.057 4.755 20.732 9 H SER 3 H SER 3 18.138 2.759 22.306 10 HA SER 3 HA SER 3 16.761 0.156 22.383 11 HB2 SER 3 1HB SER 3 16.845 2.446 24.325 12 HB3 SER 3 2HB SER 3 15.473 1.338 24.319 13 HG SER 3 HG SER 3 18.113 0.360 24.403 14 H GLY 4 H GLY 4 16.226 3.657 22.075 15 HA2 GLY 4 1HA GLY 4 14.767 4.026 19.968 16 HA3 GLY 4 2HA GLY 4 13.591 3.104 20.893 17 H SER 5 H SER 5 14.077 6.065 19.929 18 HA SER 5 HA SER 5 12.610 7.237 22.096 19 HB2 SER 5 1HB SER 5 14.762 7.503 23.110 20 HB3 SER 5 2HB SER 5 15.472 8.075 21.600 21 HG SER 5 HG SER 5 13.926 9.423 23.465 22 H SER 6 H SER 6 11.711 9.265 21.566 23 HA SER 6 HA SER 6 11.480 9.700 18.714 24 HB2 SER 6 1HB SER 6 9.687 11.248 19.292 25 HB3 SER 6 2HB SER 6 9.482 9.741 20.184 26 HG SER 6 HG SER 6 9.366 11.955 21.298 27 H GLY 7 H GLY 7 11.305 12.138 18.060 28 HA2 GLY 7 1HA GLY 7 13.072 13.954 19.397 29 HA3 GLY 7 2HA GLY 7 13.815 13.240 17.973 30 H SER 8 H SER 8 12.946 13.693 15.911 31 HA SER 8 HA SER 8 11.538 16.252 15.822 32 HB2 SER 8 1HB SER 8 13.175 14.714 13.814 33 HB3 SER 8 2HB SER 8 12.175 16.085 13.333 34 HG SER 8 HG SER 8 13.401 17.116 15.235 35 H GLN 9 H GLN 9 9.801 16.593 14.298 36 HA GLN 9 HA GLN 9 8.429 14.241 13.287 37 HB2 GLN 9 1HB GLN 9 6.325 14.760 14.404 38 HB3 GLN 9 2HB GLN 9 7.589 14.450 15.586 39 HG2 GLN 9 1HG GLN 9 6.601 16.292 16.496 40 HG3 GLN 9 2HG GLN 9 7.865 17.049 15.527 41 HE21 GLN 9 1HE2 GLN 9 4.495 15.976 15.286 42 HE22 GLN 9 2HE2 GLN 9 3.961 17.303 14.318 43 H GLY 10 H GLY 10 6.950 14.684 11.639 44 HA2 GLY 10 1HA GLY 10 6.655 17.505 10.860 45 HA3 GLY 10 2HA GLY 10 7.305 16.358 9.699 46 H ASP 11 H ASP 11 4.464 17.235 11.575 47 HA ASP 11 HA ASP 11 2.716 15.283 10.545 48 HB2 ASP 11 1HB ASP 11 2.068 18.063 11.550 49 HB3 ASP 11 2HB ASP 11 0.912 16.751 11.340 50 H CYS 12 H CYS 12 3.544 18.536 9.440 51 HA CYS 12 HA CYS 12 1.723 18.334 7.187 52 HB2 CYS 12 1HB CYS 12 3.423 20.478 8.370 53 HB3 CYS 12 2HB CYS 12 3.011 20.605 6.664 54 HG CYS 12 HG CYS 12 0.430 21.098 6.936 55 H SER 13 H SER 13 2.364 17.032 5.590 56 HA SER 13 HA SER 13 4.884 17.597 4.264 57 HB2 SER 13 1HB SER 13 5.576 15.224 4.230 58 HB3 SER 13 2HB SER 13 5.530 15.868 5.872 59 HG SER 13 HG SER 13 4.043 14.468 6.349 60 H TYR 14 H TYR 14 4.882 17.085 2.095 61 HA TYR 14 HA TYR 14 2.587 17.175 0.649 62 HB2 TYR 14 1HB TYR 14 4.028 15.763 -1.091 63 HB3 TYR 14 2HB TYR 14 4.409 17.438 -0.710 64 HD1 TYR 14 2HD TYR 14 5.169 14.043 0.672 65 HD2 TYR 14 1HD TYR 14 6.632 17.905 -0.351 66 HE1 TYR 14 2HE TYR 14 7.430 13.364 1.365 67 HE2 TYR 14 1HE TYR 14 8.897 17.236 0.339 68 HH TYR 14 HH TYR 14 9.884 15.479 1.961 69 H SER 15 H SER 15 1.425 15.592 -0.627 70 HA SER 15 HA SER 15 0.434 13.466 0.890 71 HB2 SER 15 1HB SER 15 0.297 13.787 -2.117 72 HB3 SER 15 2HB SER 15 -0.770 12.794 -1.124 73 HG SER 15 HG SER 15 -0.531 15.508 -0.503 74 H ARG 16 H ARG 16 3.132 13.650 -1.276 75 HA ARG 16 HA ARG 16 3.520 11.089 -2.131 76 HB2 ARG 16 1HB ARG 16 5.589 13.017 -1.067 77 HB3 ARG 16 2HB ARG 16 5.973 11.550 -1.958 78 HG2 ARG 16 1HG ARG 16 4.608 12.450 -3.854 79 HG3 ARG 16 2HG ARG 16 4.495 13.969 -2.961 80 HD2 ARG 16 1HD ARG 16 6.902 14.203 -2.990 81 HD3 ARG 16 2HD ARG 16 7.074 12.631 -3.769 82 HE ARG 16 HE ARG 16 5.526 13.965 -5.512 83 HH11 ARG 16 1HH1 ARG 16 8.504 14.800 -3.912 84 HH12 ARG 16 2HH1 ARG 16 9.065 15.811 -5.202 85 HH21 ARG 16 1HH2 ARG 16 6.254 15.294 -7.217 86 HH22 ARG 16 2HH2 ARG 16 7.784 16.092 -7.081 87 H THR 17 H THR 17 4.236 12.388 1.079 88 HA THR 17 HA THR 17 5.383 9.966 2.068 89 HB THR 17 HB THR 17 4.187 11.961 3.936 90 HG1 THR 17 1HG THR 17 5.284 13.543 3.078 91 HG21 THR 17 3HG2 THR 17 5.363 10.325 5.081 92 HG22 THR 17 1HG2 THR 17 6.580 11.588 4.902 93 HG23 THR 17 2HG2 THR 17 6.596 10.189 3.828 94 H ALA 18 H ALA 18 2.168 11.174 1.729 95 HA ALA 18 HA ALA 18 0.716 9.992 3.704 96 HB1 ALA 18 3HB ALA 18 -1.137 10.211 2.362 97 HB2 ALA 18 1HB ALA 18 -0.014 11.318 1.571 98 HB3 ALA 18 2HB ALA 18 -0.279 9.705 0.907 99 H LEU 19 H LEU 19 1.406 8.393 0.585 100 HA LEU 19 HA LEU 19 0.414 5.899 1.149 101 HB2 LEU 19 1HB LEU 19 2.981 6.303 -0.357 102 HB3 LEU 19 2HB LEU 19 1.764 5.051 -0.596 103 HG LEU 19 HG LEU 19 1.573 7.966 -1.337 104 HD11 LEU 19 1HD1 LEU 19 2.638 7.022 -3.108 105 HD12 LEU 19 2HD1 LEU 19 0.976 6.645 -3.558 106 HD13 LEU 19 3HD1 LEU 19 1.982 5.415 -2.793 107 HD21 LEU 19 3HD2 LEU 19 -0.586 5.958 -1.848 108 HD22 LEU 19 1HD2 LEU 19 -0.670 7.720 -1.860 109 HD23 LEU 19 2HD2 LEU 19 -0.536 6.854 -0.329 110 H TYR 20 H TYR 20 3.194 7.416 2.480 111 HA TYR 20 HA TYR 20 4.309 4.907 3.460 112 HB2 TYR 20 1HB TYR 20 5.268 7.745 3.878 113 HB3 TYR 20 2HB TYR 20 6.141 6.282 4.320 114 HD1 TYR 20 2HD TYR 20 4.673 8.018 1.364 115 HD2 TYR 20 1HD TYR 20 7.651 5.349 2.818 116 HE1 TYR 20 2HE TYR 20 5.716 7.976 -0.864 117 HE2 TYR 20 1HE TYR 20 8.702 5.301 0.595 118 HH TYR 20 HH TYR 20 7.413 5.963 -2.064 119 H ASP 21 H ASP 21 2.535 7.701 4.586 120 HA ASP 21 HA ASP 21 2.855 7.166 7.372 121 HB2 ASP 21 1HB ASP 21 1.187 9.004 5.721 122 HB3 ASP 21 2HB ASP 21 0.672 8.689 7.376 123 H LEU 22 H LEU 22 0.480 6.296 4.929 124 HA LEU 22 HA LEU 22 -1.551 5.324 6.566 125 HB2 LEU 22 1HB LEU 22 -0.646 4.751 3.789 126 HB3 LEU 22 2HB LEU 22 -1.842 3.683 4.521 127 HG LEU 22 HG LEU 22 -3.097 5.942 5.002 128 HD11 LEU 22 1HD1 LEU 22 -2.712 7.411 2.918 129 HD12 LEU 22 2HD1 LEU 22 -1.127 6.641 2.858 130 HD13 LEU 22 3HD1 LEU 22 -1.604 7.566 4.282 131 HD21 LEU 22 3HD2 LEU 22 -4.180 4.338 3.707 132 HD22 LEU 22 1HD2 LEU 22 -2.952 4.389 2.442 133 HD23 LEU 22 2HD2 LEU 22 -4.077 5.733 2.632 134 H LEU 23 H LEU 23 1.356 3.713 5.355 135 HA LEU 23 HA LEU 23 0.684 1.212 6.621 136 HB2 LEU 23 1HB LEU 23 2.920 2.248 4.965 137 HB3 LEU 23 2HB LEU 23 3.238 0.852 5.993 138 HG LEU 23 HG LEU 23 1.494 -0.407 4.857 139 HD11 LEU 23 1HD1 LEU 23 -0.178 0.915 4.103 140 HD12 LEU 23 2HD1 LEU 23 0.760 0.846 2.611 141 HD13 LEU 23 3HD1 LEU 23 0.908 2.240 3.681 142 HD21 LEU 23 3HD2 LEU 23 2.563 -0.613 2.670 143 HD22 LEU 23 1HD2 LEU 23 3.761 -0.479 3.958 144 HD23 LEU 23 2HD2 LEU 23 3.408 0.914 2.934 145 H GLY 24 H GLY 24 2.647 4.020 7.338 146 HA2 GLY 24 1HA GLY 24 3.180 4.656 9.562 147 HA3 GLY 24 2HA GLY 24 3.042 2.973 10.048 148 H VAL 25 H VAL 25 4.861 4.095 7.260 149 HA VAL 25 HA VAL 25 7.359 3.480 8.693 150 HB VAL 25 HB VAL 25 8.273 2.411 6.727 151 HG11 VAL 25 1HG1 VAL 25 5.576 1.334 7.530 152 HG12 VAL 25 2HG1 VAL 25 6.762 0.428 6.588 153 HG13 VAL 25 3HG1 VAL 25 7.142 0.937 8.234 154 HG21 VAL 25 3HG2 VAL 25 7.380 2.474 4.658 155 HG22 VAL 25 1HG2 VAL 25 5.730 2.286 5.252 156 HG23 VAL 25 2HG2 VAL 25 6.505 3.870 5.288 157 HA PRO 26 HA PRO 26 8.856 7.339 7.218 158 HB2 PRO 26 1HB PRO 26 11.517 6.817 7.096 159 HB3 PRO 26 2HB PRO 26 10.648 7.028 8.621 160 HG2 PRO 26 1HG PRO 26 11.461 4.501 7.237 161 HG3 PRO 26 2HG PRO 26 11.555 4.913 8.959 162 HD2 PRO 26 1HD PRO 26 9.579 3.369 7.936 163 HD3 PRO 26 2HD PRO 26 9.325 4.452 9.320 164 H SER 27 H SER 27 10.302 8.291 5.488 165 HA SER 27 HA SER 27 9.577 7.159 2.961 166 HB2 SER 27 1HB SER 27 10.931 9.646 3.888 167 HB3 SER 27 2HB SER 27 11.206 9.140 2.221 168 HG SER 27 HG SER 27 9.366 10.095 1.874 169 H THR 28 H THR 28 11.864 6.211 5.017 170 HA THR 28 HA THR 28 13.837 5.612 2.912 171 HB THR 28 HB THR 28 14.719 6.925 4.831 172 HG1 THR 28 1HG THR 28 15.653 4.388 4.111 173 HG21 THR 28 3HG2 THR 28 13.683 6.325 6.776 174 HG22 THR 28 1HG2 THR 28 15.112 5.301 6.901 175 HG23 THR 28 2HG2 THR 28 13.588 4.622 6.329 176 H ALA 29 H ALA 29 11.331 4.266 4.562 177 HA ALA 29 HA ALA 29 12.237 1.773 5.416 178 HB1 ALA 29 3HB ALA 29 10.035 1.187 5.625 179 HB2 ALA 29 1HB ALA 29 9.885 2.943 5.562 180 HB3 ALA 29 2HB ALA 29 9.566 1.979 4.120 181 H THR 30 H THR 30 11.963 -0.330 4.406 182 HA THR 30 HA THR 30 12.324 -0.234 1.481 183 HB THR 30 HB THR 30 14.423 -0.789 2.711 184 HG1 THR 30 1HG THR 30 13.625 -3.119 1.343 185 HG21 THR 30 3HG2 THR 30 13.373 -3.497 3.325 186 HG22 THR 30 1HG2 THR 30 12.935 -2.189 4.423 187 HG23 THR 30 2HG2 THR 30 14.634 -2.563 4.130 188 H GLN 31 H GLN 31 12.007 -2.536 0.526 189 HA GLN 31 HA GLN 31 9.396 -3.246 0.556 190 HB2 GLN 31 1HB GLN 31 11.715 -5.158 0.233 191 HB3 GLN 31 2HB GLN 31 10.065 -5.456 -0.299 192 HG2 GLN 31 1HG GLN 31 12.086 -3.550 -1.402 193 HG3 GLN 31 2HG GLN 31 11.161 -4.800 -2.232 194 HE21 GLN 31 1HE2 GLN 31 8.641 -4.359 -1.714 195 HE22 GLN 31 2HE2 GLN 31 8.138 -2.774 -2.181 196 H ALA 32 H ALA 32 11.910 -4.794 2.550 197 HA ALA 32 HA ALA 32 10.480 -6.671 3.893 198 HB1 ALA 32 3HB ALA 32 12.001 -6.325 5.804 199 HB2 ALA 32 1HB ALA 32 12.848 -6.363 4.257 200 HB3 ALA 32 2HB ALA 32 12.553 -4.822 5.065 201 H GLN 33 H GLN 33 10.709 -3.239 4.814 202 HA GLN 33 HA GLN 33 8.853 -3.504 6.970 203 HB2 GLN 33 1HB GLN 33 9.952 -1.077 5.546 204 HB3 GLN 33 2HB GLN 33 8.907 -0.995 6.959 205 HG2 GLN 33 1HG GLN 33 10.760 -2.598 7.960 206 HG3 GLN 33 2HG GLN 33 11.750 -1.798 6.740 207 HE21 GLN 33 1HE2 GLN 33 11.968 0.491 6.838 208 HE22 GLN 33 2HE2 GLN 33 11.774 1.327 8.337 209 H ILE 34 H ILE 34 8.569 -1.450 4.071 210 HA ILE 34 HA ILE 34 5.966 -0.823 4.086 211 HB ILE 34 HB ILE 34 7.449 -1.789 1.639 212 HG12 ILE 34 1HG1 ILE 34 7.015 1.088 2.318 213 HG13 ILE 34 2HG1 ILE 34 8.277 0.207 3.172 214 HG21 ILE 34 1HG2 ILE 34 4.884 -1.585 1.559 215 HG22 ILE 34 2HG2 ILE 34 5.169 0.152 1.637 216 HG23 ILE 34 3HG2 ILE 34 5.829 -0.789 0.301 217 HD11 ILE 34 3HD1 ILE 34 9.097 -0.469 0.839 218 HD12 ILE 34 1HD1 ILE 34 8.069 0.840 0.258 219 HD13 ILE 34 2HD1 ILE 34 9.383 1.183 1.384 220 H LYS 35 H LYS 35 7.264 -3.992 3.328 221 HA LYS 35 HA LYS 35 4.728 -5.075 2.502 222 HB2 LYS 35 1HB LYS 35 7.080 -5.851 1.784 223 HB3 LYS 35 2HB LYS 35 7.125 -6.696 3.327 224 HG2 LYS 35 1HG LYS 35 4.802 -7.625 2.483 225 HG3 LYS 35 2HG LYS 35 5.498 -7.242 0.907 226 HD2 LYS 35 1HD LYS 35 7.555 -8.537 1.698 227 HD3 LYS 35 2HD LYS 35 6.525 -9.141 2.999 228 HE2 LYS 35 1HE LYS 35 6.192 -10.788 1.457 229 HE3 LYS 35 2HE LYS 35 4.906 -9.680 0.981 230 HZ1 LYS 35 3HZ LYS 35 6.108 -10.395 -0.952 231 HZ2 LYS 35 1HZ LYS 35 7.585 -9.919 -0.277 232 HZ3 LYS 35 2HZ LYS 35 6.430 -8.755 -0.693 233 H ALA 36 H ALA 36 6.782 -5.295 5.385 234 HA ALA 36 HA ALA 36 5.170 -7.097 6.822 235 HB1 ALA 36 3HB ALA 36 6.992 -7.003 8.087 236 HB2 ALA 36 1HB ALA 36 7.512 -5.504 7.315 237 HB3 ALA 36 2HB ALA 36 6.423 -5.451 8.703 238 H ALA 37 H ALA 37 5.067 -3.606 6.469 239 HA ALA 37 HA ALA 37 3.229 -3.103 8.571 240 HB1 ALA 37 3HB ALA 37 2.942 -1.138 6.543 241 HB2 ALA 37 1HB ALA 37 3.793 -1.016 8.083 242 HB3 ALA 37 2HB ALA 37 4.647 -1.577 6.645 243 H TYR 38 H TYR 38 2.632 -2.794 5.068 244 HA TYR 38 HA TYR 38 -0.057 -2.620 5.017 245 HB2 TYR 38 1HB TYR 38 1.034 -2.536 2.937 246 HB3 TYR 38 2HB TYR 38 1.805 -4.100 3.176 247 HD1 TYR 38 1HD TYR 38 -1.507 -2.502 2.621 248 HD2 TYR 38 2HD TYR 38 0.828 -6.046 2.319 249 HE1 TYR 38 1HE TYR 38 -3.320 -3.582 1.357 250 HE2 TYR 38 2HE TYR 38 -0.978 -7.135 1.053 251 HH TYR 38 HH TYR 38 -4.111 -5.852 0.850 252 H TYR 39 H TYR 39 1.799 -5.518 5.672 253 HA TYR 39 HA TYR 39 -0.313 -7.381 5.472 254 HB2 TYR 39 1HB TYR 39 2.411 -7.365 6.670 255 HB3 TYR 39 2HB TYR 39 1.297 -8.615 7.211 256 HD1 TYR 39 2HD TYR 39 1.965 -7.067 3.873 257 HD2 TYR 39 1HD TYR 39 1.820 -10.623 6.204 258 HE1 TYR 39 2HE TYR 39 2.490 -8.394 1.870 259 HE2 TYR 39 1HE TYR 39 2.346 -11.960 4.208 260 HH TYR 39 HH TYR 39 2.107 -10.807 1.108 261 H ARG 40 H ARG 40 1.021 -5.586 8.227 262 HA ARG 40 HA ARG 40 -0.593 -6.725 10.217 263 HB2 ARG 40 1HB ARG 40 0.797 -4.061 10.002 264 HB3 ARG 40 2HB ARG 40 -0.131 -4.513 11.426 265 HG2 ARG 40 1HG ARG 40 1.370 -6.637 11.398 266 HG3 ARG 40 2HG ARG 40 2.432 -5.640 10.401 267 HD2 ARG 40 1HD ARG 40 2.101 -3.878 12.284 268 HD3 ARG 40 2HD ARG 40 1.600 -5.266 13.249 269 HE ARG 40 HE ARG 40 3.996 -5.979 12.095 270 HH11 ARG 40 1HH1 ARG 40 2.860 -3.470 14.224 271 HH12 ARG 40 2HH1 ARG 40 4.376 -3.299 15.044 272 HH21 ARG 40 1HH2 ARG 40 5.998 -5.763 13.167 273 HH22 ARG 40 2HH2 ARG 40 6.161 -4.603 14.441 274 H GLN 41 H GLN 41 -1.028 -3.704 8.380 275 HA GLN 41 HA GLN 41 -3.303 -2.696 9.429 276 HB2 GLN 41 1HB GLN 41 -2.794 -2.975 6.463 277 HB3 GLN 41 2HB GLN 41 -3.855 -1.800 7.228 278 HG2 GLN 41 1HG GLN 41 -0.859 -1.953 7.405 279 HG3 GLN 41 2HG GLN 41 -1.834 -0.697 6.643 280 HE21 GLN 41 1HE2 GLN 41 0.173 -0.798 8.925 281 HE22 GLN 41 2HE2 GLN 41 -0.610 0.065 10.200 282 H CYS 42 H CYS 42 -3.351 -5.031 6.728 283 HA CYS 42 HA CYS 42 -6.020 -5.507 6.533 284 HB2 CYS 42 1HB CYS 42 -4.420 -6.560 5.042 285 HB3 CYS 42 2HB CYS 42 -3.786 -7.539 6.360 286 HG CYS 42 HG CYS 42 -5.669 -8.719 4.292 287 H PHE 43 H PHE 43 -3.833 -6.743 8.991 288 HA PHE 43 HA PHE 43 -5.817 -8.463 10.172 289 HB2 PHE 43 1HB PHE 43 -3.652 -9.270 10.497 290 HB3 PHE 43 2HB PHE 43 -3.008 -7.675 10.871 291 HD1 PHE 43 1HD PHE 43 -3.477 -6.650 13.083 292 HD2 PHE 43 2HD PHE 43 -4.510 -10.680 12.185 293 HE1 PHE 43 1HE PHE 43 -3.689 -7.128 15.488 294 HE2 PHE 43 2HE PHE 43 -4.724 -11.164 14.588 295 HZ PHE 43 HZ PHE 43 -4.314 -9.387 16.243 296 H LEU 44 H LEU 44 -4.565 -5.236 10.710 297 HA LEU 44 HA LEU 44 -5.712 -4.829 13.268 298 HB2 LEU 44 1HB LEU 44 -4.525 -3.120 11.155 299 HB3 LEU 44 2HB LEU 44 -5.546 -2.332 12.357 300 HG LEU 44 HG LEU 44 -3.230 -4.069 13.157 301 HD11 LEU 44 1HD1 LEU 44 -2.971 -1.105 12.994 302 HD12 LEU 44 2HD1 LEU 44 -2.695 -2.076 11.549 303 HD13 LEU 44 3HD1 LEU 44 -1.721 -2.349 12.993 304 HD21 LEU 44 3HD2 LEU 44 -3.793 -1.794 14.809 305 HD22 LEU 44 1HD2 LEU 44 -3.832 -3.509 15.218 306 HD23 LEU 44 2HD2 LEU 44 -5.266 -2.729 14.549 307 H TYR 45 H TYR 45 -6.731 -3.642 10.060 308 HA TYR 45 HA TYR 45 -9.426 -3.225 11.150 309 HB2 TYR 45 1HB TYR 45 -8.240 -2.188 8.568 310 HB3 TYR 45 2HB TYR 45 -9.812 -1.763 9.237 311 HD1 TYR 45 2HD TYR 45 -6.161 -1.543 9.888 312 HD2 TYR 45 1HD TYR 45 -10.024 0.017 10.751 313 HE1 TYR 45 2HE TYR 45 -5.128 0.323 11.113 314 HE2 TYR 45 1HE TYR 45 -9.002 1.888 11.977 315 HH TYR 45 HH TYR 45 -5.735 1.927 12.878 316 H HIS 46 H HIS 46 -9.249 -5.762 10.924 317 HA HIS 46 HA HIS 46 -9.624 -6.863 8.326 318 HB2 HIS 46 1HB HIS 46 -8.921 -7.978 10.627 319 HB3 HIS 46 2HB HIS 46 -10.655 -8.261 10.754 320 HD2 HIS 46 2HD HIS 46 -7.728 -9.220 8.284 321 HE1 HIS 46 1HE HIS 46 -10.869 -12.049 7.926 322 HE2 HIS 46 2HE HIS 46 -8.506 -11.470 7.274 323 HA PRO 47 HA PRO 47 -13.877 -5.920 7.669 324 HB2 PRO 47 1HB PRO 47 -14.439 -7.833 5.826 325 HB3 PRO 47 2HB PRO 47 -13.479 -6.395 5.456 326 HG2 PRO 47 1HG PRO 47 -12.562 -9.175 6.082 327 HG3 PRO 47 2HG PRO 47 -11.974 -8.056 4.838 328 HD2 PRO 47 1HD PRO 47 -10.678 -8.436 7.184 329 HD3 PRO 47 2HD PRO 47 -10.673 -6.879 6.332 330 H ASP 48 H ASP 48 -12.915 -9.255 8.340 331 HA ASP 48 HA ASP 48 -15.392 -10.403 8.801 332 HB2 ASP 48 1HB ASP 48 -13.065 -11.495 8.806 333 HB3 ASP 48 2HB ASP 48 -12.987 -11.028 10.503 334 H ARG 49 H ARG 49 -13.384 -8.475 10.976 335 HA ARG 49 HA ARG 49 -15.265 -8.755 13.160 336 HB2 ARG 49 1HB ARG 49 -12.590 -7.504 12.785 337 HB3 ARG 49 2HB ARG 49 -13.614 -6.864 14.063 338 HG2 ARG 49 1HG ARG 49 -12.386 -8.462 15.172 339 HG3 ARG 49 2HG ARG 49 -13.858 -9.346 14.766 340 HD2 ARG 49 1HD ARG 49 -12.232 -10.846 14.127 341 HD3 ARG 49 2HD ARG 49 -12.537 -9.994 12.614 342 HE ARG 49 HE ARG 49 -10.372 -9.301 12.665 343 HH11 ARG 49 1HH1 ARG 49 -11.367 -10.022 15.923 344 HH12 ARG 49 2HH1 ARG 49 -9.805 -9.713 16.607 345 HH21 ARG 49 1HH2 ARG 49 -8.312 -8.890 13.554 346 HH22 ARG 49 2HH2 ARG 49 -8.069 -9.068 15.259 347 H ASN 50 H ASN 50 -13.994 -6.033 11.234 348 HA ASN 50 HA ASN 50 -15.743 -4.090 12.229 349 HB2 ASN 50 1HB ASN 50 -14.172 -4.334 9.677 350 HB3 ASN 50 2HB ASN 50 -15.245 -2.964 9.946 351 HD21 ASN 50 1HD2 ASN 50 -12.689 -4.779 11.603 352 HD22 ASN 50 2HD2 ASN 50 -11.916 -3.395 12.289 353 H SER 51 H SER 51 -17.887 -4.189 12.181 354 HA SER 51 HA SER 51 -19.224 -5.448 9.901 355 HB2 SER 51 1HB SER 51 -19.817 -6.150 12.231 356 HB3 SER 51 2HB SER 51 -20.436 -4.524 12.516 357 HG SER 51 HG SER 51 -21.346 -6.241 10.448 358 H GLY 52 H GLY 52 -19.771 -4.150 8.282 359 HA2 GLY 52 1HA GLY 52 -20.308 -2.223 7.129 360 HA3 GLY 52 2HA GLY 52 -21.585 -2.126 8.332 361 H SER 53 H SER 53 -18.058 -1.653 8.493 362 HA SER 53 HA SER 53 -18.327 0.576 10.252 363 HB2 SER 53 1HB SER 53 -15.843 0.812 9.864 364 HB3 SER 53 2HB SER 53 -16.353 -0.771 10.449 365 HG SER 53 HG SER 53 -15.319 -0.030 7.979 366 H ALA 54 H ALA 54 -17.474 2.738 9.811 367 HA ALA 54 HA ALA 54 -18.185 3.598 7.093 368 HB1 ALA 54 3HB ALA 54 -18.973 4.549 9.594 369 HB2 ALA 54 1HB ALA 54 -17.859 5.764 8.965 370 HB3 ALA 54 2HB ALA 54 -19.276 5.295 8.024 371 H GLU 55 H GLU 55 -15.731 3.981 9.615 372 HA GLU 55 HA GLU 55 -14.048 5.617 7.938 373 HB2 GLU 55 1HB GLU 55 -13.699 4.391 10.668 374 HB3 GLU 55 2HB GLU 55 -12.393 5.241 9.853 375 HG2 GLU 55 1HG GLU 55 -13.242 6.945 11.084 376 HG3 GLU 55 2HG GLU 55 -14.220 7.125 9.628 377 H ALA 56 H ALA 56 -13.705 2.385 9.410 378 HA ALA 56 HA ALA 56 -11.353 1.589 8.245 379 HB1 ALA 56 3HB ALA 56 -12.904 -0.710 8.193 380 HB2 ALA 56 1HB ALA 56 -11.906 -0.139 9.531 381 HB3 ALA 56 2HB ALA 56 -13.620 0.275 9.469 382 H ALA 57 H ALA 57 -14.468 1.950 6.754 383 HA ALA 57 HA ALA 57 -14.051 0.348 4.469 384 HB1 ALA 57 3HB ALA 57 -15.874 1.709 3.466 385 HB2 ALA 57 1HB ALA 57 -16.270 1.043 5.050 386 HB3 ALA 57 2HB ALA 57 -15.829 2.744 4.893 387 H GLU 58 H GLU 58 -13.990 3.913 4.687 388 HA GLU 58 HA GLU 58 -12.723 4.244 2.180 389 HB2 GLU 58 1HB GLU 58 -12.768 6.523 2.609 390 HB3 GLU 58 2HB GLU 58 -14.098 5.935 3.597 391 HG2 GLU 58 1HG GLU 58 -12.563 5.912 5.548 392 HG3 GLU 58 2HG GLU 58 -11.331 6.656 4.531 393 H ARG 59 H ARG 59 -11.528 3.872 5.446 394 HA ARG 59 HA ARG 59 -8.874 4.731 4.979 395 HB2 ARG 59 1HB ARG 59 -9.840 4.523 7.232 396 HB3 ARG 59 2HB ARG 59 -9.918 2.777 7.036 397 HG2 ARG 59 1HG ARG 59 -8.002 3.058 8.285 398 HG3 ARG 59 2HG ARG 59 -7.368 2.947 6.642 399 HD2 ARG 59 1HD ARG 59 -6.257 4.761 7.713 400 HD3 ARG 59 2HD ARG 59 -7.397 5.448 6.556 401 HE ARG 59 HE ARG 59 -8.634 5.260 9.072 402 HH11 ARG 59 1HH1 ARG 59 -6.135 7.045 7.432 403 HH12 ARG 59 2HH1 ARG 59 -6.326 8.463 8.409 404 HH21 ARG 59 1HH2 ARG 59 -8.895 7.121 10.365 405 HH22 ARG 59 2HH2 ARG 59 -7.896 8.505 10.077 406 H PHE 60 H PHE 60 -10.382 1.516 4.947 407 HA PHE 60 HA PHE 60 -8.075 0.024 4.433 408 HB2 PHE 60 1HB PHE 60 -10.216 -0.982 5.113 409 HB3 PHE 60 2HB PHE 60 -10.913 -0.553 3.555 410 HD1 PHE 60 1HD PHE 60 -8.073 -2.465 5.021 411 HD2 PHE 60 2HD PHE 60 -10.885 -2.098 1.847 412 HE1 PHE 60 1HE PHE 60 -7.298 -4.607 4.091 413 HE2 PHE 60 2HE PHE 60 -10.115 -4.240 0.912 414 HZ PHE 60 HZ PHE 60 -8.320 -5.498 2.035 415 H THR 61 H THR 61 -10.575 1.006 2.083 416 HA THR 61 HA THR 61 -9.418 0.196 -0.243 417 HB THR 61 HB THR 61 -10.864 2.821 0.165 418 HG1 THR 61 1HG THR 61 -12.551 1.580 0.402 419 HG21 THR 61 3HG2 THR 61 -11.135 1.417 -2.391 420 HG22 THR 61 1HG2 THR 61 -9.512 2.029 -2.078 421 HG23 THR 61 2HG2 THR 61 -10.888 3.131 -2.061 422 H ARG 62 H ARG 62 -8.570 3.026 1.664 423 HA ARG 62 HA ARG 62 -6.756 4.085 -0.291 424 HB2 ARG 62 1HB ARG 62 -7.553 4.770 2.493 425 HB3 ARG 62 2HB ARG 62 -5.996 5.359 1.928 426 HG2 ARG 62 1HG ARG 62 -7.414 6.158 -0.135 427 HG3 ARG 62 2HG ARG 62 -8.736 6.076 1.031 428 HD2 ARG 62 1HD ARG 62 -8.004 8.255 1.272 429 HD3 ARG 62 2HD ARG 62 -7.134 7.423 2.560 430 HE ARG 62 HE ARG 62 -5.493 7.370 0.333 431 HH11 ARG 62 1HH1 ARG 62 -6.941 9.766 2.402 432 HH12 ARG 62 2HH1 ARG 62 -5.667 10.919 2.177 433 HH21 ARG 62 1HH2 ARG 62 -3.810 8.879 0.028 434 HH22 ARG 62 2HH2 ARG 62 -3.888 10.414 0.826 435 H ILE 63 H ILE 63 -6.431 2.269 2.737 436 HA ILE 63 HA ILE 63 -3.694 2.248 3.025 437 HB ILE 63 HB ILE 63 -5.708 0.088 3.620 438 HG12 ILE 63 1HG1 ILE 63 -4.150 1.636 5.651 439 HG13 ILE 63 2HG1 ILE 63 -5.495 2.423 4.834 440 HG21 ILE 63 1HG2 ILE 63 -4.003 -1.045 4.930 441 HG22 ILE 63 2HG2 ILE 63 -3.517 -0.945 3.238 442 HG23 ILE 63 3HG2 ILE 63 -2.803 0.145 4.426 443 HD11 ILE 63 3HD1 ILE 63 -7.054 1.124 5.855 444 HD12 ILE 63 1HD1 ILE 63 -5.964 -0.252 6.020 445 HD13 ILE 63 2HD1 ILE 63 -5.809 1.131 7.104 446 H SER 64 H SER 64 -5.684 0.083 1.038 447 HA SER 64 HA SER 64 -3.648 -1.607 0.144 448 HB2 SER 64 1HB SER 64 -5.817 -2.356 -0.317 449 HB3 SER 64 2HB SER 64 -6.313 -0.805 -0.993 450 HG SER 64 HG SER 64 -5.587 -1.406 -2.873 451 H GLN 65 H GLN 65 -4.820 1.468 -1.150 452 HA GLN 65 HA GLN 65 -3.454 1.559 -3.546 453 HB2 GLN 65 1HB GLN 65 -3.944 3.859 -1.646 454 HB3 GLN 65 2HB GLN 65 -3.561 4.006 -3.356 455 HG2 GLN 65 1HG GLN 65 -5.692 2.482 -3.616 456 HG3 GLN 65 2HG GLN 65 -6.085 3.165 -2.039 457 HE21 GLN 65 1HE2 GLN 65 -7.917 4.027 -3.292 458 HE22 GLN 65 2HE2 GLN 65 -7.709 5.533 -4.112 459 H ALA 66 H ALA 66 -2.301 2.512 -0.328 460 HA ALA 66 HA ALA 66 0.211 3.474 -1.087 461 HB1 ALA 66 3HB ALA 66 0.830 2.745 1.322 462 HB2 ALA 66 1HB ALA 66 -0.388 3.999 1.085 463 HB3 ALA 66 2HB ALA 66 -0.882 2.347 1.458 464 H TYR 67 H TYR 67 -0.984 0.233 -0.764 465 HA TYR 67 HA TYR 67 1.651 -0.963 -0.733 466 HB2 TYR 67 1HB TYR 67 -0.408 -1.922 0.424 467 HB3 TYR 67 2HB TYR 67 -0.970 -2.388 -1.177 468 HD1 TYR 67 1HD TYR 67 2.312 -2.576 0.614 469 HD2 TYR 67 2HD TYR 67 -0.702 -4.639 -1.569 470 HE1 TYR 67 1HE TYR 67 3.632 -4.647 0.760 471 HE2 TYR 67 2HE TYR 67 0.609 -6.715 -1.428 472 HH TYR 67 HH TYR 67 3.435 -6.973 0.574 473 H VAL 68 H VAL 68 0.417 0.698 -3.034 474 HA VAL 68 HA VAL 68 0.773 -1.265 -5.193 475 HB VAL 68 HB VAL 68 -0.354 1.530 -5.391 476 HG11 VAL 68 1HG1 VAL 68 0.581 0.758 -7.481 477 HG12 VAL 68 2HG1 VAL 68 -0.298 -0.767 -7.346 478 HG13 VAL 68 3HG1 VAL 68 -1.180 0.743 -7.582 479 HG21 VAL 68 3HG2 VAL 68 -1.903 -1.050 -5.458 480 HG22 VAL 68 1HG2 VAL 68 -1.693 -0.091 -3.993 481 HG23 VAL 68 2HG2 VAL 68 -2.532 0.596 -5.384 482 H VAL 69 H VAL 69 1.401 2.229 -4.868 483 HA VAL 69 HA VAL 69 3.514 2.286 -6.705 484 HB VAL 69 HB VAL 69 2.980 4.172 -4.405 485 HG11 VAL 69 1HG1 VAL 69 4.190 5.739 -6.140 486 HG12 VAL 69 2HG1 VAL 69 5.113 4.763 -4.995 487 HG13 VAL 69 3HG1 VAL 69 4.920 4.221 -6.663 488 HG21 VAL 69 3HG2 VAL 69 1.119 4.568 -5.606 489 HG22 VAL 69 1HG2 VAL 69 2.211 5.468 -6.659 490 HG23 VAL 69 2HG2 VAL 69 1.770 3.807 -7.058 491 H LEU 70 H LEU 70 3.428 1.484 -3.323 492 HA LEU 70 HA LEU 70 6.364 1.382 -3.238 493 HB2 LEU 70 1HB LEU 70 4.686 0.942 -0.822 494 HB3 LEU 70 2HB LEU 70 6.285 1.670 -0.965 495 HG LEU 70 HG LEU 70 3.773 3.039 -1.905 496 HD11 LEU 70 1HD1 LEU 70 5.137 3.685 0.674 497 HD12 LEU 70 2HD1 LEU 70 3.909 2.421 0.609 498 HD13 LEU 70 3HD1 LEU 70 3.501 4.072 0.143 499 HD21 LEU 70 3HD2 LEU 70 6.412 3.588 -2.399 500 HD22 LEU 70 1HD2 LEU 70 6.063 4.607 -1.002 501 HD23 LEU 70 2HD2 LEU 70 5.091 4.756 -2.467 502 H GLY 71 H GLY 71 3.572 -0.557 -3.451 503 HA2 GLY 71 1HA GLY 71 4.245 -2.881 -2.105 504 HA3 GLY 71 2HA GLY 71 3.307 -2.834 -3.590 505 H SER 72 H SER 72 5.186 -1.919 -5.392 506 HA SER 72 HA SER 72 7.033 -4.205 -5.464 507 HB2 SER 72 1HB SER 72 5.646 -2.610 -7.588 508 HB3 SER 72 2HB SER 72 7.156 -3.434 -7.974 509 HG SER 72 HG SER 72 4.695 -4.463 -7.756 510 H ALA 73 H ALA 73 9.156 -3.884 -5.332 511 HA ALA 73 HA ALA 73 10.379 -1.580 -4.552 512 HB1 ALA 73 3HB ALA 73 12.437 -2.598 -4.988 513 HB2 ALA 73 1HB ALA 73 11.335 -3.949 -4.726 514 HB3 ALA 73 2HB ALA 73 11.805 -3.498 -6.365 515 H THR 74 H THR 74 10.183 -2.753 -7.912 516 HA THR 74 HA THR 74 11.542 -0.806 -9.243 517 HB THR 74 HB THR 74 8.928 -2.057 -10.107 518 HG1 THR 74 1HG THR 74 10.182 -3.754 -10.246 519 HG21 THR 74 3HG2 THR 74 9.289 -0.156 -11.493 520 HG22 THR 74 1HG2 THR 74 9.820 -1.562 -12.415 521 HG23 THR 74 2HG2 THR 74 11.010 -0.512 -11.645 522 H LEU 75 H LEU 75 7.989 -0.658 -8.996 523 HA LEU 75 HA LEU 75 7.511 1.861 -9.809 524 HB2 LEU 75 1HB LEU 75 6.248 0.666 -7.349 525 HB3 LEU 75 2HB LEU 75 5.563 1.920 -8.380 526 HG LEU 75 HG LEU 75 5.966 -0.989 -9.056 527 HD11 LEU 75 1HD1 LEU 75 3.838 0.445 -7.882 528 HD12 LEU 75 2HD1 LEU 75 3.861 -1.236 -8.415 529 HD13 LEU 75 3HD1 LEU 75 3.348 0.034 -9.526 530 HD21 LEU 75 3HD2 LEU 75 5.146 -0.529 -11.249 531 HD22 LEU 75 1HD2 LEU 75 6.514 0.545 -10.954 532 HD23 LEU 75 2HD2 LEU 75 4.867 1.167 -10.851 533 H ARG 76 H ARG 76 7.982 1.140 -6.344 534 HA ARG 76 HA ARG 76 8.099 3.611 -5.282 535 HB2 ARG 76 1HB ARG 76 8.452 1.465 -4.049 536 HB3 ARG 76 2HB ARG 76 10.114 1.457 -4.626 537 HG2 ARG 76 1HG ARG 76 10.133 3.858 -3.528 538 HG3 ARG 76 2HG ARG 76 8.824 3.162 -2.571 539 HD2 ARG 76 1HD ARG 76 10.195 1.562 -1.620 540 HD3 ARG 76 2HD ARG 76 11.368 1.640 -2.933 541 HE ARG 76 HE ARG 76 11.333 4.110 -1.610 542 HH11 ARG 76 1HH1 ARG 76 12.267 0.802 -1.059 543 HH12 ARG 76 2HH1 ARG 76 13.521 1.208 0.067 544 HH21 ARG 76 1HH2 ARG 76 12.980 4.656 -0.130 545 HH22 ARG 76 2HH2 ARG 76 13.925 3.400 0.595 546 H ARG 77 H ARG 77 10.911 1.973 -6.736 547 HA ARG 77 HA ARG 77 12.703 4.110 -6.463 548 HB2 ARG 77 1HB ARG 77 12.676 1.944 -8.573 549 HB3 ARG 77 2HB ARG 77 14.049 2.964 -8.168 550 HG2 ARG 77 1HG ARG 77 14.475 1.861 -6.215 551 HG3 ARG 77 2HG ARG 77 12.795 1.363 -6.002 552 HD2 ARG 77 1HD ARG 77 13.053 -0.228 -7.860 553 HD3 ARG 77 2HD ARG 77 14.742 0.251 -8.020 554 HE ARG 77 HE ARG 77 14.515 -0.521 -5.420 555 HH11 ARG 77 1HH1 ARG 77 13.800 -2.014 -8.483 556 HH12 ARG 77 2HH1 ARG 77 14.108 -3.623 -7.918 557 HH21 ARG 77 1HH2 ARG 77 14.923 -2.634 -4.665 558 HH22 ARG 77 2HH2 ARG 77 14.746 -3.974 -5.746 559 H LYS 78 H LYS 78 10.593 3.191 -9.163 560 HA LYS 78 HA LYS 78 11.380 5.040 -11.051 561 HB2 LYS 78 1HB LYS 78 8.556 4.119 -10.481 562 HB3 LYS 78 2HB LYS 78 9.110 4.857 -11.978 563 HG2 LYS 78 1HG LYS 78 10.765 2.903 -12.100 564 HG3 LYS 78 2HG LYS 78 9.744 2.146 -10.875 565 HD2 LYS 78 1HD LYS 78 8.736 1.332 -12.753 566 HD3 LYS 78 2HD LYS 78 7.831 2.837 -12.574 567 HE2 LYS 78 1HE LYS 78 8.406 2.981 -14.782 568 HE3 LYS 78 2HE LYS 78 9.791 3.793 -14.054 569 HZ1 LYS 78 3HZ LYS 78 10.609 1.252 -14.038 570 HZ2 LYS 78 1HZ LYS 78 10.942 2.340 -15.291 571 HZ3 LYS 78 2HZ LYS 78 9.655 1.252 -15.435 572 H TYR 79 H TYR 79 8.636 5.469 -8.806 573 HA TYR 79 HA TYR 79 7.926 8.026 -9.313 574 HB2 TYR 79 1HB TYR 79 7.063 6.398 -7.499 575 HB3 TYR 79 2HB TYR 79 8.267 7.148 -6.456 576 HD1 TYR 79 1HD TYR 79 5.825 8.457 -8.974 577 HD2 TYR 79 2HD TYR 79 7.299 8.631 -4.986 578 HE1 TYR 79 1HE TYR 79 4.251 10.280 -8.478 579 HE2 TYR 79 2HE TYR 79 5.728 10.454 -4.479 580 HH TYR 79 HH TYR 79 4.505 12.307 -6.007 581 H ASP 80 H ASP 80 10.690 7.009 -7.355 582 HA ASP 80 HA ASP 80 11.482 9.548 -6.464 583 HB2 ASP 80 1HB ASP 80 12.315 7.107 -5.858 584 HB3 ASP 80 2HB ASP 80 13.544 7.474 -7.066 585 H ARG 81 H ARG 81 12.316 7.734 -9.384 586 HA ARG 81 HA ARG 81 14.050 9.856 -10.332 587 HB2 ARG 81 1HB ARG 81 13.143 7.401 -11.836 588 HB3 ARG 81 2HB ARG 81 14.537 8.415 -12.185 589 HG2 ARG 81 1HG ARG 81 14.175 6.617 -9.798 590 HG3 ARG 81 2HG ARG 81 15.256 6.356 -11.169 591 HD2 ARG 81 1HD ARG 81 16.250 8.655 -10.495 592 HD3 ARG 81 2HD ARG 81 15.458 8.353 -8.949 593 HE ARG 81 HE ARG 81 17.122 6.877 -8.464 594 HH11 ARG 81 1HH1 ARG 81 16.961 7.259 -11.921 595 HH12 ARG 81 2HH1 ARG 81 18.347 6.264 -12.226 596 HH21 ARG 81 1HH2 ARG 81 18.948 5.566 -8.853 597 HH22 ARG 81 2HH2 ARG 81 19.476 5.302 -10.480 598 H GLY 82 H GLY 82 10.909 9.836 -10.033 599 HA2 GLY 82 1HA GLY 82 9.205 10.990 -11.053 600 HA3 GLY 82 2HA GLY 82 10.429 11.739 -12.068 601 H LEU 83 H LEU 83 10.622 8.403 -12.289 602 HA LEU 83 HA LEU 83 9.724 8.405 -14.994 603 HB2 LEU 83 1HB LEU 83 10.403 6.081 -13.198 604 HB3 LEU 83 2HB LEU 83 10.230 6.018 -14.951 605 HG LEU 83 HG LEU 83 12.283 7.809 -13.712 606 HD11 LEU 83 1HD1 LEU 83 12.398 5.398 -12.813 607 HD12 LEU 83 2HD1 LEU 83 13.857 6.116 -13.495 608 HD13 LEU 83 3HD1 LEU 83 12.908 4.974 -14.447 609 HD21 LEU 83 3HD2 LEU 83 11.939 8.100 -16.053 610 HD22 LEU 83 1HD2 LEU 83 11.992 6.360 -16.337 611 HD23 LEU 83 2HD2 LEU 83 13.452 7.218 -15.845 612 H LEU 84 H LEU 84 8.346 7.400 -11.931 613 HA LEU 84 HA LEU 84 6.102 6.053 -13.113 614 HB2 LEU 84 1HB LEU 84 7.040 5.494 -10.881 615 HB3 LEU 84 2HB LEU 84 6.448 7.044 -10.287 616 HG LEU 84 HG LEU 84 4.133 6.114 -11.121 617 HD11 LEU 84 1HD1 LEU 84 5.327 3.508 -10.314 618 HD12 LEU 84 2HD1 LEU 84 5.480 4.038 -11.989 619 HD13 LEU 84 3HD1 LEU 84 3.882 3.842 -11.269 620 HD21 LEU 84 3HD2 LEU 84 5.470 5.141 -8.597 621 HD22 LEU 84 1HD2 LEU 84 3.732 5.241 -8.885 622 HD23 LEU 84 2HD2 LEU 84 4.700 6.714 -8.816 623 H SER 85 H SER 85 3.939 6.740 -13.119 624 HA SER 85 HA SER 85 3.310 9.474 -12.394 625 HB2 SER 85 1HB SER 85 2.410 9.970 -14.697 626 HB3 SER 85 2HB SER 85 4.168 9.879 -14.600 627 HG SER 85 HG SER 85 4.061 8.370 -16.041 628 H ASP 86 H ASP 86 0.919 9.899 -13.308 629 HA ASP 86 HA ASP 86 -0.777 8.216 -11.884 630 HB2 ASP 86 1HB ASP 86 -1.732 9.802 -14.255 631 HB3 ASP 86 2HB ASP 86 -2.562 9.486 -12.734 632 H GLU 87 H GLU 87 0.278 8.074 -15.220 633 HA GLU 87 HA GLU 87 -1.565 6.405 -16.374 634 HB2 GLU 87 1HB GLU 87 0.186 7.245 -17.732 635 HB3 GLU 87 2HB GLU 87 1.426 6.544 -16.701 636 HG2 GLU 87 1HG GLU 87 0.683 4.296 -17.393 637 HG3 GLU 87 2HG GLU 87 -0.474 5.046 -18.490 638 H ASP 88 H ASP 88 0.849 5.626 -13.985 639 HA ASP 88 HA ASP 88 0.588 2.777 -14.280 640 HB2 ASP 88 1HB ASP 88 1.960 4.554 -12.273 641 HB3 ASP 88 2HB ASP 88 1.863 2.810 -12.045 642 H LEU 89 H LEU 89 -0.777 5.270 -12.219 643 HA LEU 89 HA LEU 89 -1.953 3.614 -10.281 644 HB2 LEU 89 1HB LEU 89 -2.785 6.315 -11.323 645 HB3 LEU 89 2HB LEU 89 -3.503 5.536 -9.915 646 HG LEU 89 HG LEU 89 -0.563 6.137 -10.060 647 HD11 LEU 89 1HD1 LEU 89 -0.827 8.283 -9.376 648 HD12 LEU 89 2HD1 LEU 89 -2.374 7.964 -8.593 649 HD13 LEU 89 3HD1 LEU 89 -2.293 8.136 -10.346 650 HD21 LEU 89 3HD2 LEU 89 -0.533 5.216 -8.043 651 HD22 LEU 89 1HD2 LEU 89 -2.240 4.809 -8.221 652 HD23 LEU 89 2HD2 LEU 89 -1.771 6.340 -7.481 653 H ARG 90 H ARG 90 -3.145 4.779 -13.400 654 HA ARG 90 HA ARG 90 -5.654 3.346 -13.059 655 HB2 ARG 90 1HB ARG 90 -6.323 4.371 -15.148 656 HB3 ARG 90 2HB ARG 90 -5.627 5.595 -14.095 657 HG2 ARG 90 1HG ARG 90 -4.598 6.147 -16.040 658 HG3 ARG 90 2HG ARG 90 -3.430 4.976 -15.425 659 HD2 ARG 90 1HD ARG 90 -4.436 3.230 -16.785 660 HD3 ARG 90 2HD ARG 90 -5.661 4.361 -17.359 661 HE ARG 90 HE ARG 90 -2.993 4.087 -18.330 662 HH11 ARG 90 1HH1 ARG 90 -5.575 6.367 -17.828 663 HH12 ARG 90 2HH1 ARG 90 -5.057 7.430 -19.094 664 HH21 ARG 90 1HH2 ARG 90 -2.302 5.478 -20.000 665 HH22 ARG 90 2HH2 ARG 90 -3.196 6.923 -20.330 666 H GLY 91 H GLY 91 -2.622 3.061 -14.773 667 HA2 GLY 91 1HA GLY 91 -3.075 1.347 -16.811 668 HA3 GLY 91 2HA GLY 91 -1.690 1.178 -15.743 669 HA PRO 92 HA PRO 92 -4.991 -2.309 -15.305 670 HB2 PRO 92 1HB PRO 92 -4.207 -4.044 -17.241 671 HB3 PRO 92 2HB PRO 92 -5.439 -2.804 -17.504 672 HG2 PRO 92 1HG PRO 92 -2.537 -2.777 -18.237 673 HG3 PRO 92 2HG PRO 92 -3.936 -2.247 -19.189 674 HD2 PRO 92 1HD PRO 92 -2.337 -0.513 -17.859 675 HD3 PRO 92 2HD PRO 92 -4.073 -0.223 -18.094 676 H GLY 93 H GLY 93 -4.440 -3.741 -13.780 677 HA2 GLY 93 1HA GLY 93 -1.610 -4.346 -13.388 678 HA3 GLY 93 2HA GLY 93 -2.906 -4.641 -12.238 679 H SER 94 H SER 94 -2.210 -5.652 -15.589 680 HA SER 94 HA SER 94 -2.573 -7.682 -16.604 681 HB2 SER 94 1HB SER 94 -0.816 -8.237 -14.229 682 HB3 SER 94 2HB SER 94 -1.279 -9.540 -15.323 683 HG SER 94 HG SER 94 0.549 -7.566 -15.667 684 H GLY 95 H GLY 95 -4.871 -7.034 -15.334 685 HA2 GLY 95 1HA GLY 95 -5.746 -9.009 -13.467 686 HA3 GLY 95 2HA GLY 95 -6.769 -7.873 -14.334 687 HA PRO 96 HA PRO 96 -6.816 -12.351 -16.108 688 HB2 PRO 96 1HB PRO 96 -8.799 -13.478 -14.636 689 HB3 PRO 96 2HB PRO 96 -7.092 -13.589 -14.193 690 HG2 PRO 96 1HG PRO 96 -9.204 -11.743 -13.147 691 HG3 PRO 96 2HG PRO 96 -7.952 -12.629 -12.257 692 HD2 PRO 96 1HD PRO 96 -7.719 -10.002 -12.873 693 HD3 PRO 96 2HD PRO 96 -6.317 -11.087 -12.772 694 H SER 97 H SER 97 -7.731 -11.605 -17.970 695 HA SER 97 HA SER 97 -10.360 -10.420 -17.996 696 HB2 SER 97 1HB SER 97 -8.466 -11.191 -20.226 697 HB3 SER 97 2HB SER 97 -10.014 -10.387 -20.481 698 HG SER 97 HG SER 97 -8.910 -8.628 -20.177 699 H SER 98 H SER 98 -11.699 -12.066 -17.200 700 HA SER 98 HA SER 98 -12.121 -14.303 -19.072 701 HB2 SER 98 1HB SER 98 -11.218 -14.764 -16.644 702 HB3 SER 98 2HB SER 98 -12.905 -14.525 -16.189 703 HG SER 98 HG SER 98 -12.304 -16.236 -18.325 704 H GLY 99 H GLY 99 -13.898 -13.861 -20.207 705 HA2 GLY 99 1HA GLY 99 -16.304 -13.038 -18.719 706 HA3 GLY 99 2HA GLY 99 -15.846 -12.190 -20.188 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 4.943 8.562 25.502 2 HA2 GLY 1 1HA GLY 1 3.681 7.378 23.814 3 HA3 GLY 1 2HA GLY 1 2.795 6.581 25.106 4 H SER 2 H SER 2 2.174 8.783 26.700 5 HA SER 2 HA SER 2 -0.227 9.628 25.912 6 HB2 SER 2 1HB SER 2 0.741 10.284 28.059 7 HB3 SER 2 2HB SER 2 1.837 11.399 27.244 8 HG SER 2 HG SER 2 -0.984 11.580 27.054 9 H SER 3 H SER 3 2.777 11.315 25.020 10 HA SER 3 HA SER 3 1.622 13.326 23.467 11 HB2 SER 3 1HB SER 3 4.317 12.030 23.001 12 HB3 SER 3 2HB SER 3 3.823 13.648 22.505 13 HG SER 3 HG SER 3 4.930 13.924 24.377 14 H GLY 4 H GLY 4 0.622 13.316 21.565 15 HA2 GLY 4 1HA GLY 4 0.357 12.724 19.294 16 HA3 GLY 4 2HA GLY 4 1.279 11.258 19.592 17 H SER 5 H SER 5 -1.804 12.800 20.479 18 HA SER 5 HA SER 5 -3.037 10.123 20.406 19 HB2 SER 5 1HB SER 5 -4.603 10.830 22.096 20 HB3 SER 5 2HB SER 5 -2.979 11.205 22.673 21 HG SER 5 HG SER 5 -3.588 13.350 21.489 22 H SER 6 H SER 6 -4.085 9.929 18.537 23 HA SER 6 HA SER 6 -5.285 10.463 16.660 24 HB2 SER 6 1HB SER 6 -6.944 10.334 18.686 25 HB3 SER 6 2HB SER 6 -7.098 12.072 18.428 26 HG SER 6 HG SER 6 -7.300 10.428 16.190 27 H GLY 7 H GLY 7 -3.135 12.279 17.184 28 HA2 GLY 7 1HA GLY 7 -4.113 14.958 16.714 29 HA3 GLY 7 2HA GLY 7 -2.430 14.454 16.772 30 H SER 8 H SER 8 -5.276 14.741 14.751 31 HA SER 8 HA SER 8 -3.532 14.499 12.388 32 HB2 SER 8 1HB SER 8 -6.192 13.286 12.954 33 HB3 SER 8 2HB SER 8 -5.895 13.852 11.310 34 HG SER 8 HG SER 8 -3.898 12.332 12.516 35 H GLN 9 H GLN 9 -3.622 16.111 10.929 36 HA GLN 9 HA GLN 9 -5.379 18.369 11.546 37 HB2 GLN 9 1HB GLN 9 -2.883 18.671 11.319 38 HB3 GLN 9 2HB GLN 9 -3.065 18.304 9.608 39 HG2 GLN 9 1HG GLN 9 -2.950 20.723 10.113 40 HG3 GLN 9 2HG GLN 9 -4.416 20.239 9.263 41 HE21 GLN 9 1HE2 GLN 9 -6.385 20.256 10.359 42 HE22 GLN 9 2HE2 GLN 9 -6.601 21.121 11.839 43 H GLY 10 H GLY 10 -7.276 17.370 10.646 44 HA2 GLY 10 1HA GLY 10 -8.749 16.818 8.957 45 HA3 GLY 10 2HA GLY 10 -8.066 18.246 8.193 46 H ASP 11 H ASP 11 -8.299 17.376 6.121 47 HA ASP 11 HA ASP 11 -6.734 14.972 5.514 48 HB2 ASP 11 1HB ASP 11 -8.953 14.847 4.641 49 HB3 ASP 11 2HB ASP 11 -8.847 16.470 3.963 50 H CYS 12 H CYS 12 -4.642 15.623 5.360 51 HA CYS 12 HA CYS 12 -3.624 18.001 4.443 52 HB2 CYS 12 1HB CYS 12 -1.535 16.810 4.009 53 HB3 CYS 12 2HB CYS 12 -2.266 16.242 5.504 54 HG CYS 12 HG CYS 12 -2.178 13.764 4.874 55 H SER 13 H SER 13 -2.499 18.513 2.418 56 HA SER 13 HA SER 13 -4.144 17.732 0.138 57 HB2 SER 13 1HB SER 13 -2.024 19.885 0.328 58 HB3 SER 13 2HB SER 13 -3.159 19.651 -1.001 59 HG SER 13 HG SER 13 -3.842 21.277 0.475 60 H TYR 14 H TYR 14 -0.661 18.282 0.689 61 HA TYR 14 HA TYR 14 0.162 16.849 -1.598 62 HB2 TYR 14 1HB TYR 14 1.484 18.013 0.788 63 HB3 TYR 14 2HB TYR 14 2.368 16.746 -0.056 64 HD1 TYR 14 2HD TYR 14 0.810 20.078 -0.467 65 HD2 TYR 14 1HD TYR 14 3.445 17.175 -2.120 66 HE1 TYR 14 2HE TYR 14 1.572 21.724 -2.128 67 HE2 TYR 14 1HE TYR 14 4.215 18.813 -3.785 68 HH TYR 14 HH TYR 14 3.422 22.154 -3.578 69 H SER 15 H SER 15 1.328 14.836 -1.688 70 HA SER 15 HA SER 15 0.746 12.973 0.506 71 HB2 SER 15 1HB SER 15 -0.046 12.717 -2.374 72 HB3 SER 15 2HB SER 15 0.322 11.266 -1.442 73 HG SER 15 HG SER 15 -1.727 13.159 -1.045 74 H ARG 16 H ARG 16 3.079 14.414 -1.107 75 HA ARG 16 HA ARG 16 4.813 12.808 -2.335 76 HB2 ARG 16 1HB ARG 16 5.377 15.093 -1.690 77 HB3 ARG 16 2HB ARG 16 5.515 14.603 -0.006 78 HG2 ARG 16 1HG ARG 16 7.712 14.623 -0.618 79 HG3 ARG 16 2HG ARG 16 7.303 12.941 -0.964 80 HD2 ARG 16 1HD ARG 16 6.942 13.511 -3.313 81 HD3 ARG 16 2HD ARG 16 7.331 15.196 -2.968 82 HE ARG 16 HE ARG 16 9.184 13.002 -3.250 83 HH11 ARG 16 1HH1 ARG 16 8.670 16.221 -2.028 84 HH12 ARG 16 2HH1 ARG 16 10.355 16.624 -2.010 85 HH21 ARG 16 1HH2 ARG 16 11.406 13.520 -3.232 86 HH22 ARG 16 2HH2 ARG 16 11.910 15.087 -2.696 87 H THR 17 H THR 17 4.469 12.857 1.210 88 HA THR 17 HA THR 17 5.718 10.187 1.273 89 HB THR 17 HB THR 17 6.251 10.743 3.692 90 HG1 THR 17 1HG THR 17 5.335 12.546 4.332 91 HG21 THR 17 3HG2 THR 17 7.527 12.344 1.475 92 HG22 THR 17 1HG2 THR 17 8.006 10.746 2.045 93 HG23 THR 17 2HG2 THR 17 8.217 12.154 3.086 94 H ALA 18 H ALA 18 3.055 10.279 0.722 95 HA ALA 18 HA ALA 18 1.561 9.968 3.195 96 HB1 ALA 18 3HB ALA 18 0.073 9.156 0.891 97 HB2 ALA 18 1HB ALA 18 -0.173 10.551 1.942 98 HB3 ALA 18 2HB ALA 18 0.905 10.673 0.551 99 H LEU 19 H LEU 19 1.839 7.929 0.278 100 HA LEU 19 HA LEU 19 0.898 5.576 1.236 101 HB2 LEU 19 1HB LEU 19 3.408 5.536 -0.384 102 HB3 LEU 19 2HB LEU 19 1.993 4.492 -0.495 103 HG LEU 19 HG LEU 19 2.272 7.320 -1.496 104 HD11 LEU 19 1HD1 LEU 19 2.785 4.825 -2.667 105 HD12 LEU 19 2HD1 LEU 19 2.702 6.396 -3.464 106 HD13 LEU 19 3HD1 LEU 19 1.261 5.386 -3.355 107 HD21 LEU 19 3HD2 LEU 19 0.064 6.954 -0.444 108 HD22 LEU 19 1HD2 LEU 19 -0.191 5.581 -1.520 109 HD23 LEU 19 2HD2 LEU 19 -0.035 7.206 -2.187 110 H TYR 20 H TYR 20 3.827 7.139 2.165 111 HA TYR 20 HA TYR 20 4.986 4.776 3.369 112 HB2 TYR 20 1HB TYR 20 5.853 7.659 3.648 113 HB3 TYR 20 2HB TYR 20 6.800 6.230 4.046 114 HD1 TYR 20 2HD TYR 20 5.209 8.026 1.209 115 HD2 TYR 20 1HD TYR 20 8.154 5.207 2.427 116 HE1 TYR 20 2HE TYR 20 6.125 8.005 -1.074 117 HE2 TYR 20 1HE TYR 20 9.079 5.179 0.149 118 HH TYR 20 HH TYR 20 7.920 5.762 -2.315 119 H ASP 21 H ASP 21 3.235 7.651 4.381 120 HA ASP 21 HA ASP 21 3.594 7.287 7.173 121 HB2 ASP 21 1HB ASP 21 2.960 9.454 6.578 122 HB3 ASP 21 2HB ASP 21 1.697 8.890 5.488 123 H LEU 22 H LEU 22 0.877 6.530 4.999 124 HA LEU 22 HA LEU 22 -0.960 5.504 6.702 125 HB2 LEU 22 1HB LEU 22 -0.100 4.530 3.996 126 HB3 LEU 22 2HB LEU 22 -1.450 3.797 4.860 127 HG LEU 22 HG LEU 22 -2.261 6.331 4.944 128 HD11 LEU 22 1HD1 LEU 22 -0.089 6.312 3.015 129 HD12 LEU 22 2HD1 LEU 22 -0.940 7.670 3.751 130 HD13 LEU 22 3HD1 LEU 22 -1.610 6.879 2.324 131 HD21 LEU 22 3HD2 LEU 22 -2.644 4.928 2.342 132 HD22 LEU 22 1HD2 LEU 22 -3.823 5.741 3.371 133 HD23 LEU 22 2HD2 LEU 22 -3.203 4.153 3.825 134 H LEU 23 H LEU 23 1.722 3.621 5.298 135 HA LEU 23 HA LEU 23 1.182 1.362 6.992 136 HB2 LEU 23 1HB LEU 23 3.141 2.042 4.873 137 HB3 LEU 23 2HB LEU 23 3.596 0.788 6.025 138 HG LEU 23 HG LEU 23 1.667 -0.538 5.385 139 HD11 LEU 23 1HD1 LEU 23 -0.005 1.015 4.869 140 HD12 LEU 23 2HD1 LEU 23 0.380 0.250 3.327 141 HD13 LEU 23 3HD1 LEU 23 1.011 1.855 3.697 142 HD21 LEU 23 3HD2 LEU 23 3.708 -0.861 4.121 143 HD22 LEU 23 1HD2 LEU 23 3.264 0.447 3.023 144 HD23 LEU 23 2HD2 LEU 23 2.309 -1.035 3.060 145 H GLY 24 H GLY 24 3.734 3.831 6.794 146 HA2 GLY 24 1HA GLY 24 4.583 4.814 8.838 147 HA3 GLY 24 2HA GLY 24 4.351 3.258 9.621 148 H VAL 25 H VAL 25 5.708 3.407 6.430 149 HA VAL 25 HA VAL 25 8.290 2.546 7.546 150 HB VAL 25 HB VAL 25 8.747 1.549 5.355 151 HG11 VAL 25 1HG1 VAL 25 6.024 0.638 6.242 152 HG12 VAL 25 2HG1 VAL 25 7.344 -0.328 5.579 153 HG13 VAL 25 3HG1 VAL 25 7.475 0.350 7.202 154 HG21 VAL 25 3HG2 VAL 25 7.678 2.722 3.711 155 HG22 VAL 25 1HG2 VAL 25 6.556 1.372 3.886 156 HG23 VAL 25 2HG2 VAL 25 6.203 2.919 4.656 157 HA PRO 26 HA PRO 26 10.332 6.154 6.095 158 HB2 PRO 26 1HB PRO 26 12.796 5.150 5.553 159 HB3 PRO 26 2HB PRO 26 12.195 5.386 7.199 160 HG2 PRO 26 1HG PRO 26 12.296 2.883 5.559 161 HG3 PRO 26 2HG PRO 26 12.696 3.116 7.271 162 HD2 PRO 26 1HD PRO 26 10.335 2.071 6.456 163 HD3 PRO 26 2HD PRO 26 10.487 3.056 7.925 164 H SER 27 H SER 27 11.665 6.985 4.234 165 HA SER 27 HA SER 27 10.388 6.347 1.788 166 HB2 SER 27 1HB SER 27 11.327 8.599 2.402 167 HB3 SER 27 2HB SER 27 12.940 7.934 2.144 168 HG SER 27 HG SER 27 12.255 8.933 0.260 169 H THR 28 H THR 28 13.163 5.099 3.367 170 HA THR 28 HA THR 28 13.903 3.627 0.921 171 HB THR 28 HB THR 28 15.676 5.200 1.632 172 HG1 THR 28 1HG THR 28 15.971 2.813 0.863 173 HG21 THR 28 3HG2 THR 28 15.697 5.467 3.896 174 HG22 THR 28 1HG2 THR 28 16.933 4.217 3.769 175 HG23 THR 28 2HG2 THR 28 15.281 3.782 4.209 176 H ALA 29 H ALA 29 11.932 2.896 2.951 177 HA ALA 29 HA ALA 29 12.824 1.069 4.832 178 HB1 ALA 29 3HB ALA 29 10.327 0.431 3.356 179 HB2 ALA 29 1HB ALA 29 10.642 0.463 5.091 180 HB3 ALA 29 2HB ALA 29 10.417 1.973 4.207 181 H THR 30 H THR 30 12.193 -1.381 4.637 182 HA THR 30 HA THR 30 13.452 -2.409 2.177 183 HB THR 30 HB THR 30 14.935 -2.834 4.003 184 HG1 THR 30 1HG THR 30 14.088 -4.677 2.506 185 HG21 THR 30 3HG2 THR 30 12.628 -4.141 5.448 186 HG22 THR 30 1HG2 THR 30 13.263 -2.537 5.813 187 HG23 THR 30 2HG2 THR 30 14.279 -3.961 6.041 188 H GLN 31 H GLN 31 12.609 -4.258 1.221 189 HA GLN 31 HA GLN 31 9.959 -4.618 0.979 190 HB2 GLN 31 1HB GLN 31 10.360 -6.711 -0.005 191 HB3 GLN 31 2HB GLN 31 11.861 -5.825 -0.241 192 HG2 GLN 31 1HG GLN 31 11.391 -7.787 1.990 193 HG3 GLN 31 2HG GLN 31 12.156 -8.190 0.454 194 HE21 GLN 31 1HE2 GLN 31 13.734 -6.021 0.010 195 HE22 GLN 31 2HE2 GLN 31 14.947 -5.909 1.235 196 H ALA 32 H ALA 32 11.979 -6.152 3.449 197 HA ALA 32 HA ALA 32 10.125 -7.844 4.610 198 HB1 ALA 32 3HB ALA 32 12.434 -6.324 5.780 199 HB2 ALA 32 1HB ALA 32 11.454 -7.427 6.746 200 HB3 ALA 32 2HB ALA 32 12.343 -8.031 5.347 201 H GLN 33 H GLN 33 10.675 -4.398 5.232 202 HA GLN 33 HA GLN 33 8.666 -4.244 7.268 203 HB2 GLN 33 1HB GLN 33 10.252 -2.183 5.751 204 HB3 GLN 33 2HB GLN 33 8.989 -1.728 6.887 205 HG2 GLN 33 1HG GLN 33 10.351 -3.349 8.476 206 HG3 GLN 33 2HG GLN 33 11.662 -2.902 7.385 207 HE21 GLN 33 1HE2 GLN 33 12.431 -0.815 7.382 208 HE22 GLN 33 2HE2 GLN 33 12.010 0.341 8.596 209 H ILE 34 H ILE 34 8.844 -2.582 4.117 210 HA ILE 34 HA ILE 34 6.390 -1.592 3.814 211 HB ILE 34 HB ILE 34 7.803 -3.215 1.695 212 HG12 ILE 34 1HG1 ILE 34 7.808 -0.224 2.127 213 HG13 ILE 34 2HG1 ILE 34 9.066 -1.293 2.738 214 HG21 ILE 34 1HG2 ILE 34 5.536 -2.927 1.017 215 HG22 ILE 34 2HG2 ILE 34 5.546 -1.232 1.501 216 HG23 ILE 34 3HG2 ILE 34 6.507 -1.760 0.120 217 HD11 ILE 34 3HD1 ILE 34 9.245 -2.048 0.259 218 HD12 ILE 34 1HD1 ILE 34 8.440 -0.514 -0.067 219 HD13 ILE 34 2HD1 ILE 34 9.988 -0.536 0.779 220 H LYS 35 H LYS 35 7.160 -5.007 3.773 221 HA LYS 35 HA LYS 35 4.517 -5.813 2.952 222 HB2 LYS 35 1HB LYS 35 6.584 -7.129 2.443 223 HB3 LYS 35 2HB LYS 35 6.717 -7.499 4.157 224 HG2 LYS 35 1HG LYS 35 4.264 -8.375 3.832 225 HG3 LYS 35 2HG LYS 35 4.767 -8.494 2.144 226 HD2 LYS 35 1HD LYS 35 6.582 -9.595 4.226 227 HD3 LYS 35 2HD LYS 35 5.109 -10.492 3.852 228 HE2 LYS 35 1HE LYS 35 6.551 -11.424 2.338 229 HE3 LYS 35 2HE LYS 35 5.896 -10.103 1.373 230 HZ1 LYS 35 3HZ LYS 35 8.572 -10.475 2.428 231 HZ2 LYS 35 1HZ LYS 35 7.966 -8.899 2.539 232 HZ3 LYS 35 2HZ LYS 35 8.059 -9.665 1.034 233 H ALA 36 H ALA 36 6.394 -6.444 5.923 234 HA ALA 36 HA ALA 36 4.388 -7.425 7.510 235 HB1 ALA 36 3HB ALA 36 6.996 -6.265 7.936 236 HB2 ALA 36 1HB ALA 36 5.890 -5.849 9.246 237 HB3 ALA 36 2HB ALA 36 6.172 -7.541 8.832 238 H ALA 37 H ALA 37 4.983 -4.102 6.601 239 HA ALA 37 HA ALA 37 3.261 -2.914 8.532 240 HB1 ALA 37 3HB ALA 37 3.487 -1.320 6.157 241 HB2 ALA 37 1HB ALA 37 4.169 -1.042 7.760 242 HB3 ALA 37 2HB ALA 37 5.056 -2.006 6.579 243 H TYR 38 H TYR 38 2.856 -3.824 5.124 244 HA TYR 38 HA TYR 38 0.219 -2.873 4.851 245 HB2 TYR 38 1HB TYR 38 1.407 -3.311 2.853 246 HB3 TYR 38 2HB TYR 38 1.816 -4.947 3.358 247 HD1 TYR 38 1HD TYR 38 -1.026 -2.789 2.327 248 HD2 TYR 38 2HD TYR 38 0.439 -6.758 2.777 249 HE1 TYR 38 1HE TYR 38 -2.991 -3.645 1.120 250 HE2 TYR 38 2HE TYR 38 -1.521 -7.625 1.570 251 HH TYR 38 HH TYR 38 -4.179 -6.347 1.222 252 H TYR 39 H TYR 39 1.540 -5.874 6.069 253 HA TYR 39 HA TYR 39 -0.924 -7.311 6.078 254 HB2 TYR 39 1HB TYR 39 1.814 -7.741 7.158 255 HB3 TYR 39 2HB TYR 39 0.504 -8.656 7.895 256 HD1 TYR 39 1HD TYR 39 -1.231 -9.338 5.699 257 HD2 TYR 39 2HD TYR 39 3.019 -9.165 5.792 258 HE1 TYR 39 1HE TYR 39 -1.130 -10.970 3.861 259 HE2 TYR 39 2HE TYR 39 3.132 -10.795 3.953 260 HH TYR 39 HH TYR 39 0.793 -12.756 3.090 261 H ARG 40 H ARG 40 1.034 -6.024 8.772 262 HA ARG 40 HA ARG 40 -0.622 -6.431 10.872 263 HB2 ARG 40 1HB ARG 40 0.306 -4.374 11.893 264 HB3 ARG 40 2HB ARG 40 1.541 -5.381 11.147 265 HG2 ARG 40 1HG ARG 40 1.689 -3.915 9.261 266 HG3 ARG 40 2HG ARG 40 0.307 -2.975 9.828 267 HD2 ARG 40 1HD ARG 40 2.843 -3.285 11.417 268 HD3 ARG 40 2HD ARG 40 2.592 -1.979 10.259 269 HE ARG 40 HE ARG 40 0.421 -1.803 11.857 270 HH11 ARG 40 1HH1 ARG 40 3.842 -1.950 12.488 271 HH12 ARG 40 2HH1 ARG 40 3.747 -1.006 13.938 272 HH21 ARG 40 1HH2 ARG 40 0.284 -0.559 13.764 273 HH22 ARG 40 2HH2 ARG 40 1.723 -0.217 14.663 274 H GLN 41 H GLN 41 -0.989 -3.976 8.384 275 HA GLN 41 HA GLN 41 -2.982 -2.423 9.575 276 HB2 GLN 41 1HB GLN 41 -2.279 -3.004 6.711 277 HB3 GLN 41 2HB GLN 41 -3.646 -1.974 7.119 278 HG2 GLN 41 1HG GLN 41 -0.736 -1.515 7.671 279 HG3 GLN 41 2HG GLN 41 -1.847 -0.524 6.727 280 HE21 GLN 41 1HE2 GLN 41 -0.137 0.210 8.970 281 HE22 GLN 41 2HE2 GLN 41 -1.185 0.861 10.179 282 H CYS 42 H CYS 42 -3.329 -5.151 7.307 283 HA CYS 42 HA CYS 42 -6.031 -5.311 7.068 284 HB2 CYS 42 1HB CYS 42 -4.566 -6.848 5.904 285 HB3 CYS 42 2HB CYS 42 -4.083 -7.596 7.422 286 HG CYS 42 HG CYS 42 -7.308 -7.832 7.313 287 H PHE 43 H PHE 43 -4.114 -6.707 9.717 288 HA PHE 43 HA PHE 43 -6.201 -7.867 11.145 289 HB2 PHE 43 1HB PHE 43 -4.045 -8.456 11.852 290 HB3 PHE 43 2HB PHE 43 -3.521 -6.778 11.958 291 HD1 PHE 43 1HD PHE 43 -4.277 -5.369 13.845 292 HD2 PHE 43 2HD PHE 43 -5.090 -9.543 13.677 293 HE1 PHE 43 1HE PHE 43 -4.776 -5.365 16.254 294 HE2 PHE 43 2HE PHE 43 -5.591 -9.546 16.085 295 HZ PHE 43 HZ PHE 43 -5.435 -7.455 17.377 296 H LEU 44 H LEU 44 -4.749 -4.644 11.586 297 HA LEU 44 HA LEU 44 -6.266 -3.693 13.655 298 HB2 LEU 44 1HB LEU 44 -5.161 -2.325 11.225 299 HB3 LEU 44 2HB LEU 44 -6.044 -1.428 12.459 300 HG LEU 44 HG LEU 44 -3.725 -3.102 13.296 301 HD11 LEU 44 1HD1 LEU 44 -2.810 -0.468 12.797 302 HD12 LEU 44 2HD1 LEU 44 -3.517 -1.089 11.306 303 HD13 LEU 44 3HD1 LEU 44 -2.227 -1.984 12.110 304 HD21 LEU 44 3HD2 LEU 44 -5.320 -0.844 14.306 305 HD22 LEU 44 1HD2 LEU 44 -3.588 -0.758 14.625 306 HD23 LEU 44 2HD2 LEU 44 -4.517 -2.151 15.177 307 H TYR 45 H TYR 45 -7.087 -3.489 10.195 308 HA TYR 45 HA TYR 45 -9.900 -3.114 10.989 309 HB2 TYR 45 1HB TYR 45 -8.562 -2.006 8.514 310 HB3 TYR 45 2HB TYR 45 -10.235 -1.752 8.999 311 HD1 TYR 45 1HD TYR 45 -10.738 -0.364 11.004 312 HD2 TYR 45 2HD TYR 45 -6.799 -0.696 9.430 313 HE1 TYR 45 1HE TYR 45 -10.073 1.643 12.261 314 HE2 TYR 45 2HE TYR 45 -6.123 1.310 10.684 315 HH TYR 45 HH TYR 45 -8.345 3.406 12.134 316 H HIS 46 H HIS 46 -10.375 -5.314 10.877 317 HA HIS 46 HA HIS 46 -9.732 -6.932 8.628 318 HB2 HIS 46 1HB HIS 46 -10.448 -7.560 11.100 319 HB3 HIS 46 2HB HIS 46 -12.057 -7.587 10.384 320 HD2 HIS 46 2HD HIS 46 -8.616 -9.234 9.271 321 HE1 HIS 46 1HE HIS 46 -11.774 -12.036 8.842 322 HE2 HIS 46 2HE HIS 46 -9.291 -11.655 8.659 323 HA PRO 47 HA PRO 47 -12.857 -5.653 5.797 324 HB2 PRO 47 1HB PRO 47 -12.891 -7.854 4.209 325 HB3 PRO 47 2HB PRO 47 -11.583 -6.665 4.176 326 HG2 PRO 47 1HG PRO 47 -11.698 -9.319 5.558 327 HG3 PRO 47 2HG PRO 47 -10.368 -8.594 4.635 328 HD2 PRO 47 1HD PRO 47 -10.441 -8.581 7.342 329 HD3 PRO 47 2HD PRO 47 -9.697 -7.272 6.401 330 H ASP 48 H ASP 48 -13.228 -8.083 8.066 331 HA ASP 48 HA ASP 48 -15.990 -8.645 7.217 332 HB2 ASP 48 1HB ASP 48 -14.543 -10.633 7.470 333 HB3 ASP 48 2HB ASP 48 -14.255 -10.195 9.151 334 H ARG 49 H ARG 49 -14.010 -7.965 10.092 335 HA ARG 49 HA ARG 49 -16.114 -7.637 11.906 336 HB2 ARG 49 1HB ARG 49 -13.266 -6.770 11.794 337 HB3 ARG 49 2HB ARG 49 -14.309 -6.003 12.984 338 HG2 ARG 49 1HG ARG 49 -14.647 -7.969 14.152 339 HG3 ARG 49 2HG ARG 49 -14.217 -8.980 12.771 340 HD2 ARG 49 1HD ARG 49 -11.893 -8.343 12.985 341 HD3 ARG 49 2HD ARG 49 -12.291 -7.223 14.286 342 HE ARG 49 HE ARG 49 -13.193 -9.605 15.209 343 HH11 ARG 49 1HH1 ARG 49 -10.141 -8.517 13.934 344 HH12 ARG 49 2HH1 ARG 49 -9.203 -9.629 14.875 345 HH21 ARG 49 1HH2 ARG 49 -11.969 -11.074 16.453 346 HH22 ARG 49 2HH2 ARG 49 -10.244 -11.084 16.307 347 H ASN 50 H ASN 50 -14.360 -5.190 10.004 348 HA ASN 50 HA ASN 50 -16.210 -3.119 10.818 349 HB2 ASN 50 1HB ASN 50 -14.004 -2.968 8.754 350 HB3 ASN 50 2HB ASN 50 -14.815 -1.615 9.537 351 HD21 ASN 50 1HD2 ASN 50 -12.459 -4.125 9.863 352 HD22 ASN 50 2HD2 ASN 50 -11.772 -3.574 11.350 353 H SER 51 H SER 51 -17.644 -5.075 9.605 354 HA SER 51 HA SER 51 -18.003 -4.507 6.801 355 HB2 SER 51 1HB SER 51 -19.944 -6.104 7.037 356 HB3 SER 51 2HB SER 51 -18.377 -6.773 7.495 357 HG SER 51 HG SER 51 -20.171 -7.171 8.987 358 H GLY 52 H GLY 52 -18.881 -2.607 6.267 359 HA2 GLY 52 1HA GLY 52 -21.072 -1.536 5.964 360 HA3 GLY 52 2HA GLY 52 -21.352 -1.808 7.677 361 H SER 53 H SER 53 -18.952 -0.974 8.758 362 HA SER 53 HA SER 53 -19.310 1.746 9.061 363 HB2 SER 53 1HB SER 53 -16.646 0.344 9.341 364 HB3 SER 53 2HB SER 53 -17.190 1.791 10.190 365 HG SER 53 HG SER 53 -17.346 -0.518 11.164 366 H ALA 54 H ALA 54 -19.204 3.279 7.568 367 HA ALA 54 HA ALA 54 -17.930 3.061 5.086 368 HB1 ALA 54 3HB ALA 54 -18.244 5.556 4.981 369 HB2 ALA 54 1HB ALA 54 -19.701 4.621 5.318 370 HB3 ALA 54 2HB ALA 54 -18.874 5.468 6.626 371 H GLU 55 H GLU 55 -16.946 5.001 7.918 372 HA GLU 55 HA GLU 55 -14.635 6.108 7.095 373 HB2 GLU 55 1HB GLU 55 -15.268 4.794 9.728 374 HB3 GLU 55 2HB GLU 55 -13.745 5.629 9.456 375 HG2 GLU 55 1HG GLU 55 -14.887 7.698 9.045 376 HG3 GLU 55 2HG GLU 55 -16.454 6.894 9.122 377 H ALA 56 H ALA 56 -14.829 2.809 8.434 378 HA ALA 56 HA ALA 56 -12.154 2.116 7.997 379 HB1 ALA 56 3HB ALA 56 -13.230 0.665 9.419 380 HB2 ALA 56 1HB ALA 56 -14.668 0.562 8.402 381 HB3 ALA 56 2HB ALA 56 -13.192 -0.282 7.932 382 H ALA 57 H ALA 57 -15.021 1.531 5.972 383 HA ALA 57 HA ALA 57 -13.979 0.067 3.929 384 HB1 ALA 57 3HB ALA 57 -16.296 0.622 3.929 385 HB2 ALA 57 1HB ALA 57 -15.945 2.343 3.777 386 HB3 ALA 57 2HB ALA 57 -15.603 1.251 2.434 387 H GLU 58 H GLU 58 -14.147 3.633 3.815 388 HA GLU 58 HA GLU 58 -12.590 4.012 1.568 389 HB2 GLU 58 1HB GLU 58 -12.931 5.743 4.015 390 HB3 GLU 58 2HB GLU 58 -12.053 6.273 2.587 391 HG2 GLU 58 1HG GLU 58 -14.963 5.533 2.757 392 HG3 GLU 58 2HG GLU 58 -14.281 7.138 2.500 393 H ARG 59 H ARG 59 -11.425 4.392 4.921 394 HA ARG 59 HA ARG 59 -8.773 4.726 4.521 395 HB2 ARG 59 1HB ARG 59 -10.037 4.530 6.731 396 HB3 ARG 59 2HB ARG 59 -9.781 2.795 6.604 397 HG2 ARG 59 1HG ARG 59 -7.337 3.218 6.508 398 HG3 ARG 59 2HG ARG 59 -7.667 4.928 6.798 399 HD2 ARG 59 1HD ARG 59 -8.511 4.508 8.952 400 HD3 ARG 59 2HD ARG 59 -8.669 2.780 8.641 401 HE ARG 59 HE ARG 59 -6.487 2.516 9.259 402 HH11 ARG 59 1HH1 ARG 59 -7.048 5.871 8.518 403 HH12 ARG 59 2HH1 ARG 59 -5.482 6.386 9.053 404 HH21 ARG 59 1HH2 ARG 59 -4.423 3.181 9.966 405 HH22 ARG 59 2HH2 ARG 59 -3.990 4.854 9.876 406 H PHE 60 H PHE 60 -10.417 1.574 4.633 407 HA PHE 60 HA PHE 60 -8.257 -0.101 4.312 408 HB2 PHE 60 1HB PHE 60 -10.551 -0.894 4.704 409 HB3 PHE 60 2HB PHE 60 -10.998 -0.417 3.070 410 HD1 PHE 60 1HD PHE 60 -8.158 -2.328 4.563 411 HD2 PHE 60 2HD PHE 60 -11.306 -2.222 1.700 412 HE1 PHE 60 1HE PHE 60 -7.477 -4.543 3.736 413 HE2 PHE 60 2HE PHE 60 -10.630 -4.437 0.869 414 HZ PHE 60 HZ PHE 60 -8.714 -5.601 1.888 415 H THR 61 H THR 61 -10.186 1.429 1.746 416 HA THR 61 HA THR 61 -8.845 0.375 -0.451 417 HB THR 61 HB THR 61 -10.140 3.096 -0.191 418 HG1 THR 61 1HG THR 61 -11.291 0.860 0.039 419 HG21 THR 61 3HG2 THR 61 -8.488 2.484 -2.178 420 HG22 THR 61 1HG2 THR 61 -9.974 3.393 -2.452 421 HG23 THR 61 2HG2 THR 61 -9.924 1.662 -2.787 422 H ARG 62 H ARG 62 -8.197 3.373 1.346 423 HA ARG 62 HA ARG 62 -6.058 4.271 -0.227 424 HB2 ARG 62 1HB ARG 62 -6.854 4.750 2.632 425 HB3 ARG 62 2HB ARG 62 -5.383 5.453 1.973 426 HG2 ARG 62 1HG ARG 62 -6.779 6.496 0.183 427 HG3 ARG 62 2HG ARG 62 -8.206 5.928 1.052 428 HD2 ARG 62 1HD ARG 62 -6.079 7.694 2.253 429 HD3 ARG 62 2HD ARG 62 -7.573 8.295 1.536 430 HE ARG 62 HE ARG 62 -7.954 6.325 3.605 431 HH11 ARG 62 1HH1 ARG 62 -7.592 9.709 2.873 432 HH12 ARG 62 2HH1 ARG 62 -8.390 10.241 4.316 433 HH21 ARG 62 1HH2 ARG 62 -9.007 7.012 5.508 434 HH22 ARG 62 2HH2 ARG 62 -9.194 8.706 5.815 435 H ILE 63 H ILE 63 -6.050 2.351 2.769 436 HA ILE 63 HA ILE 63 -3.338 2.068 3.144 437 HB ILE 63 HB ILE 63 -5.477 -0.011 3.613 438 HG12 ILE 63 1HG1 ILE 63 -4.197 1.821 5.637 439 HG13 ILE 63 2HG1 ILE 63 -5.644 2.282 4.747 440 HG21 ILE 63 1HG2 ILE 63 -2.590 -0.068 4.001 441 HG22 ILE 63 2HG2 ILE 63 -3.496 -0.427 5.470 442 HG23 ILE 63 3HG2 ILE 63 -3.762 -1.386 4.014 443 HD11 ILE 63 3HD1 ILE 63 -6.895 0.512 5.713 444 HD12 ILE 63 1HD1 ILE 63 -5.447 -0.207 6.417 445 HD13 ILE 63 2HD1 ILE 63 -6.047 1.339 7.020 446 H SER 64 H SER 64 -5.461 0.003 1.172 447 HA SER 64 HA SER 64 -3.620 -1.865 0.319 448 HB2 SER 64 1HB SER 64 -6.137 -0.754 -0.820 449 HB3 SER 64 2HB SER 64 -5.114 -1.711 -1.891 450 HG SER 64 HG SER 64 -6.133 -3.314 -0.972 451 H GLN 65 H GLN 65 -4.479 1.179 -1.325 452 HA GLN 65 HA GLN 65 -2.886 1.131 -3.505 453 HB2 GLN 65 1HB GLN 65 -3.157 3.516 -1.668 454 HB3 GLN 65 2HB GLN 65 -2.724 3.563 -3.372 455 HG2 GLN 65 1HG GLN 65 -5.023 2.323 -3.654 456 HG3 GLN 65 2HG GLN 65 -5.362 3.075 -2.095 457 HE21 GLN 65 1HE2 GLN 65 -6.924 4.438 -2.901 458 HE22 GLN 65 2HE2 GLN 65 -6.560 5.777 -3.930 459 H ALA 66 H ALA 66 -1.802 2.235 -0.294 460 HA ALA 66 HA ALA 66 0.797 2.865 -0.784 461 HB1 ALA 66 3HB ALA 66 0.414 3.201 1.407 462 HB2 ALA 66 1HB ALA 66 -0.656 1.805 1.541 463 HB3 ALA 66 2HB ALA 66 1.093 1.583 1.580 464 H TYR 67 H TYR 67 -0.573 -0.369 -0.528 465 HA TYR 67 HA TYR 67 2.036 -1.612 -0.841 466 HB2 TYR 67 1HB TYR 67 0.043 -2.466 0.611 467 HB3 TYR 67 2HB TYR 67 -0.563 -3.109 -0.911 468 HD1 TYR 67 1HD TYR 67 2.814 -2.949 0.698 469 HD2 TYR 67 2HD TYR 67 -0.195 -5.374 -1.084 470 HE1 TYR 67 1HE TYR 67 4.255 -4.924 0.965 471 HE2 TYR 67 2HE TYR 67 1.238 -7.356 -0.821 472 HH TYR 67 HH TYR 67 4.452 -7.113 0.676 473 H VAL 68 H VAL 68 0.932 0.069 -2.979 474 HA VAL 68 HA VAL 68 0.875 -1.952 -5.124 475 HB VAL 68 HB VAL 68 -0.599 0.685 -5.089 476 HG11 VAL 68 1HG1 VAL 68 -0.845 -1.428 -7.199 477 HG12 VAL 68 2HG1 VAL 68 -1.306 0.274 -7.269 478 HG13 VAL 68 3HG1 VAL 68 0.398 -0.182 -7.300 479 HG21 VAL 68 3HG2 VAL 68 -1.457 -1.366 -3.741 480 HG22 VAL 68 1HG2 VAL 68 -2.574 -0.479 -4.779 481 HG23 VAL 68 2HG2 VAL 68 -1.883 -2.006 -5.328 482 H VAL 69 H VAL 69 1.472 1.514 -4.526 483 HA VAL 69 HA VAL 69 3.164 1.809 -6.802 484 HB VAL 69 HB VAL 69 2.850 3.586 -4.379 485 HG11 VAL 69 1HG1 VAL 69 3.661 5.064 -6.628 486 HG12 VAL 69 2HG1 VAL 69 4.578 4.747 -5.153 487 HG13 VAL 69 3HG1 VAL 69 4.731 3.665 -6.539 488 HG21 VAL 69 3HG2 VAL 69 1.677 4.894 -6.437 489 HG22 VAL 69 1HG2 VAL 69 1.314 3.221 -6.860 490 HG23 VAL 69 2HG2 VAL 69 0.811 3.864 -5.297 491 H LEU 70 H LEU 70 3.724 1.294 -3.354 492 HA LEU 70 HA LEU 70 6.607 1.357 -3.725 493 HB2 LEU 70 1HB LEU 70 5.099 0.668 -1.216 494 HB3 LEU 70 2HB LEU 70 6.776 1.192 -1.360 495 HG LEU 70 HG LEU 70 4.474 2.980 -2.100 496 HD11 LEU 70 1HD1 LEU 70 4.699 2.001 0.395 497 HD12 LEU 70 2HD1 LEU 70 4.125 3.627 0.029 498 HD13 LEU 70 3HD1 LEU 70 5.805 3.371 0.499 499 HD21 LEU 70 3HD2 LEU 70 7.240 3.182 -2.397 500 HD22 LEU 70 1HD2 LEU 70 6.847 4.202 -1.013 501 HD23 LEU 70 2HD2 LEU 70 6.051 4.475 -2.563 502 H GLY 71 H GLY 71 4.022 -0.942 -3.393 503 HA2 GLY 71 1HA GLY 71 5.127 -3.228 -2.474 504 HA3 GLY 71 2HA GLY 71 4.049 -3.209 -3.862 505 H SER 72 H SER 72 5.715 -1.854 -5.683 506 HA SER 72 HA SER 72 7.636 -3.992 -6.240 507 HB2 SER 72 1HB SER 72 5.817 -3.134 -7.904 508 HB3 SER 72 2HB SER 72 6.943 -1.805 -8.179 509 HG SER 72 HG SER 72 7.005 -4.171 -9.284 510 H ALA 73 H ALA 73 9.782 -3.680 -6.272 511 HA ALA 73 HA ALA 73 10.985 -1.525 -5.008 512 HB1 ALA 73 3HB ALA 73 12.231 -3.391 -7.023 513 HB2 ALA 73 1HB ALA 73 13.101 -2.383 -5.867 514 HB3 ALA 73 2HB ALA 73 12.071 -3.694 -5.293 515 H THR 74 H THR 74 10.551 -2.119 -8.477 516 HA THR 74 HA THR 74 11.949 0.188 -9.343 517 HB THR 74 HB THR 74 9.849 -1.477 -10.739 518 HG1 THR 74 1HG THR 74 12.565 -1.400 -11.447 519 HG21 THR 74 3HG2 THR 74 11.040 -0.364 -12.791 520 HG22 THR 74 1HG2 THR 74 11.404 0.913 -11.631 521 HG23 THR 74 2HG2 THR 74 9.729 0.475 -11.964 522 H LEU 75 H LEU 75 8.444 -0.480 -9.219 523 HA LEU 75 HA LEU 75 7.354 1.835 -10.021 524 HB2 LEU 75 1HB LEU 75 6.616 0.132 -7.662 525 HB3 LEU 75 2HB LEU 75 5.644 1.521 -8.143 526 HG LEU 75 HG LEU 75 6.208 -0.904 -9.850 527 HD11 LEU 75 1HD1 LEU 75 4.392 -1.862 -9.002 528 HD12 LEU 75 2HD1 LEU 75 3.450 -0.380 -9.161 529 HD13 LEU 75 3HD1 LEU 75 4.441 -0.646 -7.726 530 HD21 LEU 75 3HD2 LEU 75 4.364 0.117 -11.244 531 HD22 LEU 75 1HD2 LEU 75 5.920 0.945 -11.293 532 HD23 LEU 75 2HD2 LEU 75 4.604 1.599 -10.317 533 H ARG 76 H ARG 76 8.573 1.300 -6.718 534 HA ARG 76 HA ARG 76 8.034 3.814 -5.675 535 HB2 ARG 76 1HB ARG 76 8.772 1.937 -4.296 536 HB3 ARG 76 2HB ARG 76 10.357 1.982 -5.055 537 HG2 ARG 76 1HG ARG 76 10.994 3.885 -3.935 538 HG3 ARG 76 2HG ARG 76 9.330 4.416 -3.676 539 HD2 ARG 76 1HD ARG 76 9.829 3.700 -1.569 540 HD3 ARG 76 2HD ARG 76 9.221 2.193 -2.252 541 HE ARG 76 HE ARG 76 11.953 2.802 -1.518 542 HH11 ARG 76 1HH1 ARG 76 9.805 0.706 -3.282 543 HH12 ARG 76 2HH1 ARG 76 10.923 -0.617 -3.328 544 HH21 ARG 76 1HH2 ARG 76 13.434 1.068 -1.572 545 HH22 ARG 76 2HH2 ARG 76 12.987 -0.410 -2.354 546 H ARG 77 H ARG 77 10.888 2.686 -7.449 547 HA ARG 77 HA ARG 77 12.476 4.953 -7.210 548 HB2 ARG 77 1HB ARG 77 12.280 3.166 -9.639 549 HB3 ARG 77 2HB ARG 77 13.645 4.177 -9.186 550 HG2 ARG 77 1HG ARG 77 12.716 1.606 -7.997 551 HG3 ARG 77 2HG ARG 77 14.335 2.092 -8.503 552 HD2 ARG 77 1HD ARG 77 14.041 3.866 -6.582 553 HD3 ARG 77 2HD ARG 77 12.863 2.698 -5.984 554 HE ARG 77 HE ARG 77 14.987 1.138 -6.402 555 HH11 ARG 77 1HH1 ARG 77 14.695 4.234 -4.837 556 HH12 ARG 77 2HH1 ARG 77 16.007 3.950 -3.741 557 HH21 ARG 77 1HH2 ARG 77 16.716 0.752 -4.965 558 HH22 ARG 77 2HH2 ARG 77 17.156 1.970 -3.816 559 H LYS 78 H LYS 78 10.124 4.153 -9.759 560 HA LYS 78 HA LYS 78 10.365 6.263 -11.446 561 HB2 LYS 78 1HB LYS 78 7.725 5.175 -10.452 562 HB3 LYS 78 2HB LYS 78 7.994 6.028 -11.966 563 HG2 LYS 78 1HG LYS 78 9.714 4.077 -12.371 564 HG3 LYS 78 2HG LYS 78 8.684 3.240 -11.207 565 HD2 LYS 78 1HD LYS 78 6.886 3.204 -12.619 566 HD3 LYS 78 2HD LYS 78 7.367 4.689 -13.444 567 HE2 LYS 78 1HE LYS 78 8.883 3.585 -14.812 568 HE3 LYS 78 2HE LYS 78 9.009 2.203 -13.724 569 HZ1 LYS 78 3HZ LYS 78 7.149 1.254 -14.563 570 HZ2 LYS 78 1HZ LYS 78 7.602 2.124 -15.942 571 HZ3 LYS 78 2HZ LYS 78 6.398 2.728 -14.918 572 H TYR 79 H TYR 79 8.082 6.294 -8.701 573 HA TYR 79 HA TYR 79 7.322 8.926 -8.806 574 HB2 TYR 79 1HB TYR 79 6.512 7.075 -7.231 575 HB3 TYR 79 2HB TYR 79 7.850 7.535 -6.185 576 HD1 TYR 79 1HD TYR 79 5.022 9.148 -8.027 577 HD2 TYR 79 2HD TYR 79 7.411 9.054 -4.508 578 HE1 TYR 79 1HE TYR 79 3.633 10.924 -7.044 579 HE2 TYR 79 2HE TYR 79 6.028 10.829 -3.515 580 HH TYR 79 HH TYR 79 3.736 12.614 -5.346 581 H ASP 80 H ASP 80 10.250 7.570 -7.400 582 HA ASP 80 HA ASP 80 11.223 9.717 -5.976 583 HB2 ASP 80 1HB ASP 80 12.217 7.338 -6.370 584 HB3 ASP 80 2HB ASP 80 13.070 8.105 -7.708 585 H ARG 81 H ARG 81 11.702 9.044 -9.438 586 HA ARG 81 HA ARG 81 12.861 11.695 -9.804 587 HB2 ARG 81 1HB ARG 81 12.393 9.774 -12.050 588 HB3 ARG 81 2HB ARG 81 13.683 10.950 -11.842 589 HG2 ARG 81 1HG ARG 81 13.406 8.459 -10.178 590 HG3 ARG 81 2HG ARG 81 14.391 8.570 -11.639 591 HD2 ARG 81 1HD ARG 81 14.717 10.209 -9.127 592 HD3 ARG 81 2HD ARG 81 15.761 8.890 -9.656 593 HE ARG 81 HE ARG 81 15.577 10.942 -11.622 594 HH11 ARG 81 1HH1 ARG 81 17.105 10.087 -8.613 595 HH12 ARG 81 2HH1 ARG 81 18.492 11.090 -8.881 596 HH21 ARG 81 1HH2 ARG 81 17.398 12.266 -11.987 597 HH22 ARG 81 2HH2 ARG 81 18.657 12.329 -10.801 598 H GLY 82 H GLY 82 9.847 10.651 -9.506 599 HA2 GLY 82 1HA GLY 82 7.832 11.630 -10.051 600 HA3 GLY 82 2HA GLY 82 8.728 12.863 -10.927 601 H LEU 83 H LEU 83 8.963 9.414 -11.550 602 HA LEU 83 HA LEU 83 8.125 9.889 -14.296 603 HB2 LEU 83 1HB LEU 83 9.124 7.347 -13.023 604 HB3 LEU 83 2HB LEU 83 8.948 7.665 -14.748 605 HG LEU 83 HG LEU 83 10.771 9.408 -13.163 606 HD11 LEU 83 1HD1 LEU 83 12.035 7.718 -12.476 607 HD12 LEU 83 2HD1 LEU 83 12.366 7.357 -14.170 608 HD13 LEU 83 3HD1 LEU 83 11.040 6.544 -13.338 609 HD21 LEU 83 3HD2 LEU 83 12.018 9.387 -15.277 610 HD22 LEU 83 1HD2 LEU 83 10.349 9.910 -15.501 611 HD23 LEU 83 2HD2 LEU 83 10.830 8.276 -15.959 612 H LEU 84 H LEU 84 6.820 8.713 -11.376 613 HA LEU 84 HA LEU 84 4.888 6.926 -12.501 614 HB2 LEU 84 1HB LEU 84 5.749 6.859 -10.145 615 HB3 LEU 84 2HB LEU 84 4.789 8.302 -9.824 616 HG LEU 84 HG LEU 84 2.845 6.732 -10.743 617 HD11 LEU 84 1HD1 LEU 84 3.775 4.532 -9.280 618 HD12 LEU 84 2HD1 LEU 84 5.067 4.951 -10.404 619 HD13 LEU 84 3HD1 LEU 84 3.445 4.616 -11.010 620 HD21 LEU 84 3HD2 LEU 84 2.694 5.945 -8.235 621 HD22 LEU 84 1HD2 LEU 84 2.462 7.636 -8.677 622 HD23 LEU 84 2HD2 LEU 84 4.013 7.099 -8.030 623 H SER 85 H SER 85 3.169 7.509 -13.632 624 HA SER 85 HA SER 85 1.871 10.078 -13.002 625 HB2 SER 85 1HB SER 85 2.535 8.870 -15.676 626 HB3 SER 85 2HB SER 85 1.211 10.023 -15.510 627 HG SER 85 HG SER 85 2.676 11.513 -15.570 628 H ASP 86 H ASP 86 -0.410 10.088 -14.129 629 HA ASP 86 HA ASP 86 -2.104 8.442 -12.781 630 HB2 ASP 86 1HB ASP 86 -3.751 8.875 -14.685 631 HB3 ASP 86 2HB ASP 86 -3.053 10.291 -13.904 632 H GLU 87 H GLU 87 -1.036 7.909 -16.142 633 HA GLU 87 HA GLU 87 -2.261 5.622 -16.825 634 HB2 GLU 87 1HB GLU 87 0.650 6.318 -17.205 635 HB3 GLU 87 2HB GLU 87 -0.110 4.934 -17.977 636 HG2 GLU 87 1HG GLU 87 -1.547 6.311 -19.248 637 HG3 GLU 87 2HG GLU 87 -1.130 7.738 -18.301 638 H ASP 88 H ASP 88 0.453 5.858 -14.578 639 HA ASP 88 HA ASP 88 0.666 3.029 -14.187 640 HB2 ASP 88 1HB ASP 88 1.772 5.369 -12.624 641 HB3 ASP 88 2HB ASP 88 2.146 3.685 -12.269 642 H LEU 89 H LEU 89 -0.686 5.711 -12.289 643 HA LEU 89 HA LEU 89 -1.511 4.270 -10.061 644 HB2 LEU 89 1HB LEU 89 -2.750 6.684 -11.369 645 HB3 LEU 89 2HB LEU 89 -3.224 6.069 -9.787 646 HG LEU 89 HG LEU 89 -0.366 6.778 -10.249 647 HD11 LEU 89 1HD1 LEU 89 -0.767 8.913 -10.677 648 HD12 LEU 89 2HD1 LEU 89 -1.670 9.038 -9.168 649 HD13 LEU 89 3HD1 LEU 89 -2.505 8.613 -10.663 650 HD21 LEU 89 3HD2 LEU 89 -2.061 7.323 -7.840 651 HD22 LEU 89 1HD2 LEU 89 -0.317 7.086 -7.945 652 HD23 LEU 89 2HD2 LEU 89 -1.407 5.714 -8.146 653 H ARG 90 H ARG 90 -3.366 5.045 -13.001 654 HA ARG 90 HA ARG 90 -5.626 3.488 -12.210 655 HB2 ARG 90 1HB ARG 90 -6.420 3.884 -14.514 656 HB3 ARG 90 2HB ARG 90 -5.903 5.367 -13.722 657 HG2 ARG 90 1HG ARG 90 -3.631 4.855 -14.915 658 HG3 ARG 90 2HG ARG 90 -4.651 3.886 -15.979 659 HD2 ARG 90 1HD ARG 90 -6.127 6.036 -16.051 660 HD3 ARG 90 2HD ARG 90 -4.650 6.838 -15.519 661 HE ARG 90 HE ARG 90 -3.756 6.517 -17.607 662 HH11 ARG 90 1HH1 ARG 90 -6.614 4.560 -17.255 663 HH12 ARG 90 2HH1 ARG 90 -6.668 4.107 -18.927 664 HH21 ARG 90 1HH2 ARG 90 -3.817 5.928 -19.810 665 HH22 ARG 90 2HH2 ARG 90 -5.076 4.885 -20.379 666 H GLY 91 H GLY 91 -3.019 3.004 -14.588 667 HA2 GLY 91 1HA GLY 91 -2.024 0.737 -14.614 668 HA3 GLY 91 2HA GLY 91 -3.668 0.121 -14.532 669 HA PRO 92 HA PRO 92 -2.089 1.006 -18.997 670 HB2 PRO 92 1HB PRO 92 -0.901 -1.356 -19.614 671 HB3 PRO 92 2HB PRO 92 -0.015 0.020 -18.945 672 HG2 PRO 92 1HG PRO 92 -1.063 -2.415 -17.554 673 HG3 PRO 92 2HG PRO 92 0.502 -1.604 -17.362 674 HD2 PRO 92 1HD PRO 92 -1.543 -1.255 -15.622 675 HD3 PRO 92 2HD PRO 92 -0.370 0.027 -15.987 676 H GLY 93 H GLY 93 -2.710 -0.346 -20.960 677 HA2 GLY 93 1HA GLY 93 -4.517 -1.235 -22.092 678 HA3 GLY 93 2HA GLY 93 -4.213 -2.604 -21.033 679 H SER 94 H SER 94 -5.615 0.649 -20.610 680 HA SER 94 HA SER 94 -7.387 0.014 -18.590 681 HB2 SER 94 1HB SER 94 -6.809 2.317 -19.572 682 HB3 SER 94 2HB SER 94 -8.075 1.995 -20.756 683 HG SER 94 HG SER 94 -9.226 2.907 -19.209 684 H GLY 95 H GLY 95 -8.488 -1.895 -18.820 685 HA2 GLY 95 1HA GLY 95 -10.675 -2.748 -19.319 686 HA3 GLY 95 2HA GLY 95 -10.628 -1.868 -20.840 687 HA PRO 96 HA PRO 96 -9.439 -6.398 -21.408 688 HB2 PRO 96 1HB PRO 96 -11.550 -7.091 -22.967 689 HB3 PRO 96 2HB PRO 96 -11.576 -7.217 -21.204 690 HG2 PRO 96 1HG PRO 96 -12.704 -5.077 -22.967 691 HG3 PRO 96 2HG PRO 96 -13.423 -5.844 -21.539 692 HD2 PRO 96 1HD PRO 96 -12.243 -3.409 -21.446 693 HD3 PRO 96 2HD PRO 96 -12.217 -4.536 -20.074 694 H SER 97 H SER 97 -8.029 -6.739 -23.001 695 HA SER 97 HA SER 97 -7.802 -4.959 -25.211 696 HB2 SER 97 1HB SER 97 -5.861 -6.190 -25.811 697 HB3 SER 97 2HB SER 97 -5.910 -6.218 -24.048 698 HG SER 97 HG SER 97 -5.802 -8.278 -25.666 699 H SER 98 H SER 98 -8.902 -5.011 -27.044 700 HA SER 98 HA SER 98 -10.601 -7.217 -27.715 701 HB2 SER 98 1HB SER 98 -10.983 -4.694 -28.173 702 HB3 SER 98 2HB SER 98 -9.955 -4.947 -29.583 703 HG SER 98 HG SER 98 -12.443 -6.153 -28.985 704 H GLY 99 H GLY 99 -10.597 -7.999 -30.084 705 HA2 GLY 99 1HA GLY 99 -7.874 -8.357 -31.112 706 HA3 GLY 99 2HA GLY 99 -8.793 -9.793 -30.688 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 23.280 -5.085 12.166 2 HA2 GLY 1 1HA GLY 1 21.065 -5.772 10.346 3 HA3 GLY 1 2HA GLY 1 20.783 -5.649 12.076 4 H SER 2 H SER 2 19.360 -3.949 12.000 5 HA SER 2 HA SER 2 20.519 -1.339 11.779 6 HB2 SER 2 1HB SER 2 18.995 -0.496 10.028 7 HB3 SER 2 2HB SER 2 20.070 -1.749 9.406 8 HG SER 2 HG SER 2 17.729 -1.886 8.878 9 H SER 3 H SER 3 18.916 0.379 12.299 10 HA SER 3 HA SER 3 16.756 -0.694 13.995 11 HB2 SER 3 1HB SER 3 18.653 1.600 14.459 12 HB3 SER 3 2HB SER 3 17.120 1.483 15.323 13 HG SER 3 HG SER 3 18.040 -0.829 15.681 14 H GLY 4 H GLY 4 15.093 1.112 14.506 15 HA2 GLY 4 1HA GLY 4 14.672 2.924 12.254 16 HA3 GLY 4 2HA GLY 4 13.462 1.674 12.503 17 H SER 5 H SER 5 13.725 4.773 12.844 18 HA SER 5 HA SER 5 12.104 4.836 15.282 19 HB2 SER 5 1HB SER 5 13.290 6.743 16.180 20 HB3 SER 5 2HB SER 5 14.455 5.453 15.880 21 HG SER 5 HG SER 5 15.368 6.617 14.362 22 H SER 6 H SER 6 10.205 5.573 14.608 23 HA SER 6 HA SER 6 9.450 6.750 12.325 24 HB2 SER 6 1HB SER 6 7.552 7.741 13.491 25 HB3 SER 6 2HB SER 6 7.902 6.151 14.169 26 HG SER 6 HG SER 6 9.128 8.369 15.339 27 H GLY 7 H GLY 7 9.169 8.847 11.494 28 HA2 GLY 7 1HA GLY 7 10.910 10.880 12.749 29 HA3 GLY 7 2HA GLY 7 10.788 10.660 11.009 30 H SER 8 H SER 8 10.305 12.985 11.057 31 HA SER 8 HA SER 8 7.904 13.945 12.241 32 HB2 SER 8 1HB SER 8 9.984 15.285 11.487 33 HB3 SER 8 2HB SER 8 9.253 15.243 9.883 34 HG SER 8 HG SER 8 7.475 16.330 10.690 35 H GLN 9 H GLN 9 5.992 14.661 11.155 36 HA GLN 9 HA GLN 9 4.729 12.808 9.584 37 HB2 GLN 9 1HB GLN 9 4.278 15.702 10.114 38 HB3 GLN 9 2HB GLN 9 3.365 14.961 8.806 39 HG2 GLN 9 1HG GLN 9 2.839 13.147 10.622 40 HG3 GLN 9 2HG GLN 9 3.239 14.456 11.733 41 HE21 GLN 9 1HE2 GLN 9 0.882 13.877 12.209 42 HE22 GLN 9 2HE2 GLN 9 -0.305 14.823 11.385 43 H GLY 10 H GLY 10 6.048 15.901 8.373 44 HA2 GLY 10 1HA GLY 10 6.978 16.438 6.340 45 HA3 GLY 10 2HA GLY 10 7.213 14.717 6.072 46 H ASP 11 H ASP 11 5.092 17.439 5.590 47 HA ASP 11 HA ASP 11 3.452 15.797 3.774 48 HB2 ASP 11 1HB ASP 11 1.610 17.264 4.164 49 HB3 ASP 11 2HB ASP 11 2.279 16.860 5.743 50 H CYS 12 H CYS 12 3.555 16.230 1.671 51 HA CYS 12 HA CYS 12 4.632 18.841 0.833 52 HB2 CYS 12 1HB CYS 12 5.349 16.078 -0.035 53 HB3 CYS 12 2HB CYS 12 5.385 17.360 -1.240 54 HG CYS 12 HG CYS 12 6.987 18.793 1.002 55 H SER 13 H SER 13 3.995 19.498 -1.362 56 HA SER 13 HA SER 13 1.370 19.806 -1.780 57 HB2 SER 13 1HB SER 13 2.909 20.921 -3.233 58 HB3 SER 13 2HB SER 13 3.506 19.392 -3.879 59 HG SER 13 HG SER 13 1.624 19.116 -4.979 60 H TYR 14 H TYR 14 3.195 17.168 -3.346 61 HA TYR 14 HA TYR 14 0.684 15.780 -3.885 62 HB2 TYR 14 1HB TYR 14 2.349 14.157 -5.059 63 HB3 TYR 14 2HB TYR 14 2.007 15.718 -5.797 64 HD1 TYR 14 2HD TYR 14 4.490 13.820 -3.825 65 HD2 TYR 14 1HD TYR 14 3.718 17.344 -6.081 66 HE1 TYR 14 2HE TYR 14 6.894 14.336 -3.829 67 HE2 TYR 14 1HE TYR 14 6.121 17.870 -6.092 68 HH TYR 14 HH TYR 14 8.425 15.976 -4.233 69 H SER 15 H SER 15 0.483 13.486 -3.409 70 HA SER 15 HA SER 15 1.394 12.910 -0.726 71 HB2 SER 15 1HB SER 15 -0.376 11.316 -2.596 72 HB3 SER 15 2HB SER 15 -0.083 10.933 -0.900 73 HG SER 15 HG SER 15 -1.951 12.475 -1.829 74 H ARG 16 H ARG 16 3.484 12.302 -0.635 75 HA ARG 16 HA ARG 16 4.276 9.983 -2.271 76 HB2 ARG 16 1HB ARG 16 5.385 12.132 -2.957 77 HB3 ARG 16 2HB ARG 16 6.125 12.192 -1.363 78 HG2 ARG 16 1HG ARG 16 7.234 10.046 -1.818 79 HG3 ARG 16 2HG ARG 16 6.527 10.044 -3.434 80 HD2 ARG 16 1HD ARG 16 8.569 10.957 -3.900 81 HD3 ARG 16 2HD ARG 16 7.652 12.424 -3.558 82 HE ARG 16 HE ARG 16 8.904 12.733 -1.656 83 HH11 ARG 16 1HH1 ARG 16 9.448 9.530 -2.907 84 HH12 ARG 16 2HH1 ARG 16 10.775 9.199 -1.843 85 HH21 ARG 16 1HH2 ARG 16 10.649 12.309 -0.250 86 HH22 ARG 16 2HH2 ARG 16 11.456 10.779 -0.331 87 H THR 17 H THR 17 5.237 11.817 0.635 88 HA THR 17 HA THR 17 6.407 9.500 1.861 89 HB THR 17 HB THR 17 5.724 11.915 3.475 90 HG1 THR 17 1HG THR 17 8.011 12.003 1.842 91 HG21 THR 17 3HG2 THR 17 6.945 10.204 4.596 92 HG22 THR 17 1HG2 THR 17 8.086 11.504 4.257 93 HG23 THR 17 2HG2 THR 17 8.083 10.050 3.258 94 H ALA 18 H ALA 18 3.273 10.380 1.404 95 HA ALA 18 HA ALA 18 2.160 9.797 3.971 96 HB1 ALA 18 3HB ALA 18 0.024 9.534 2.509 97 HB2 ALA 18 1HB ALA 18 0.764 11.124 2.701 98 HB3 ALA 18 2HB ALA 18 1.043 10.193 1.229 99 H LEU 19 H LEU 19 2.554 7.964 0.959 100 HA LEU 19 HA LEU 19 1.188 5.656 1.632 101 HB2 LEU 19 1HB LEU 19 3.793 5.602 0.144 102 HB3 LEU 19 2HB LEU 19 2.384 4.565 -0.071 103 HG LEU 19 HG LEU 19 2.796 7.390 -1.001 104 HD11 LEU 19 1HD1 LEU 19 3.499 5.954 -2.660 105 HD12 LEU 19 2HD1 LEU 19 1.808 6.204 -3.093 106 HD13 LEU 19 3HD1 LEU 19 2.296 4.729 -2.259 107 HD21 LEU 19 3HD2 LEU 19 0.198 5.897 -0.688 108 HD22 LEU 19 1HD2 LEU 19 0.403 7.303 -1.733 109 HD23 LEU 19 2HD2 LEU 19 0.638 7.458 0.008 110 H TYR 20 H TYR 20 3.994 6.927 3.055 111 HA TYR 20 HA TYR 20 4.881 4.345 4.092 112 HB2 TYR 20 1HB TYR 20 6.052 7.098 4.540 113 HB3 TYR 20 2HB TYR 20 6.789 5.566 4.994 114 HD1 TYR 20 2HD TYR 20 5.543 7.416 2.004 115 HD2 TYR 20 1HD TYR 20 8.280 4.542 3.537 116 HE1 TYR 20 2HE TYR 20 6.646 7.305 -0.191 117 HE2 TYR 20 1HE TYR 20 9.391 4.424 1.346 118 HH TYR 20 HH TYR 20 9.073 4.916 -0.909 119 H ASP 21 H ASP 21 3.130 7.176 5.045 120 HA ASP 21 HA ASP 21 3.326 6.658 7.876 121 HB2 ASP 21 1HB ASP 21 1.975 8.682 6.156 122 HB3 ASP 21 2HB ASP 21 1.328 8.417 7.773 123 H LEU 22 H LEU 22 1.169 5.856 5.268 124 HA LEU 22 HA LEU 22 -1.103 5.167 6.794 125 HB2 LEU 22 1HB LEU 22 -0.117 4.524 4.055 126 HB3 LEU 22 2HB LEU 22 -1.474 3.611 4.711 127 HG LEU 22 HG LEU 22 -2.399 6.066 5.163 128 HD11 LEU 22 1HD1 LEU 22 -1.798 7.305 2.943 129 HD12 LEU 22 2HD1 LEU 22 -0.312 6.362 3.053 130 HD13 LEU 22 3HD1 LEU 22 -0.758 7.459 4.359 131 HD21 LEU 22 3HD2 LEU 22 -3.908 5.570 3.562 132 HD22 LEU 22 1HD2 LEU 22 -3.061 4.023 3.539 133 HD23 LEU 22 2HD2 LEU 22 -2.674 5.259 2.341 134 H LEU 23 H LEU 23 1.716 3.319 5.739 135 HA LEU 23 HA LEU 23 0.721 0.881 6.944 136 HB2 LEU 23 1HB LEU 23 3.073 1.661 5.311 137 HB3 LEU 23 2HB LEU 23 3.233 0.245 6.349 138 HG LEU 23 HG LEU 23 1.403 -0.847 5.201 139 HD11 LEU 23 1HD1 LEU 23 -0.069 0.893 4.639 140 HD12 LEU 23 2HD1 LEU 23 0.521 0.274 3.097 141 HD13 LEU 23 3HD1 LEU 23 1.175 1.774 3.753 142 HD21 LEU 23 3HD2 LEU 23 3.514 -1.273 4.228 143 HD22 LEU 23 1HD2 LEU 23 3.550 0.302 3.436 144 HD23 LEU 23 2HD2 LEU 23 2.418 -0.934 2.888 145 H GLY 24 H GLY 24 3.025 3.425 7.669 146 HA2 GLY 24 1HA GLY 24 3.630 4.016 9.881 147 HA3 GLY 24 2HA GLY 24 3.214 2.390 10.403 148 H VAL 25 H VAL 25 5.321 3.402 7.738 149 HA VAL 25 HA VAL 25 7.628 2.329 9.205 150 HB VAL 25 HB VAL 25 8.428 1.269 7.078 151 HG11 VAL 25 1HG1 VAL 25 7.469 -0.061 8.880 152 HG12 VAL 25 2HG1 VAL 25 5.851 0.199 8.225 153 HG13 VAL 25 3HG1 VAL 25 7.037 -0.731 7.308 154 HG21 VAL 25 3HG2 VAL 25 5.792 0.940 5.936 155 HG22 VAL 25 1HG2 VAL 25 6.280 2.634 5.962 156 HG23 VAL 25 2HG2 VAL 25 7.298 1.435 5.165 157 HA PRO 26 HA PRO 26 9.675 5.948 7.771 158 HB2 PRO 26 1HB PRO 26 12.249 5.091 7.877 159 HB3 PRO 26 2HB PRO 26 11.302 5.468 9.321 160 HG2 PRO 26 1HG PRO 26 11.884 2.807 8.079 161 HG3 PRO 26 2HG PRO 26 11.900 3.271 9.791 162 HD2 PRO 26 1HD PRO 26 9.826 1.950 8.658 163 HD3 PRO 26 2HD PRO 26 9.609 3.109 9.985 164 H SER 27 H SER 27 10.887 6.805 6.010 165 HA SER 27 HA SER 27 10.393 5.545 3.533 166 HB2 SER 27 1HB SER 27 11.445 7.434 2.528 167 HB3 SER 27 2HB SER 27 10.626 8.040 3.967 168 HG SER 27 HG SER 27 12.525 8.323 4.956 169 H THR 28 H THR 28 12.711 4.882 5.806 170 HA THR 28 HA THR 28 14.706 4.014 3.836 171 HB THR 28 HB THR 28 16.145 3.592 5.871 172 HG1 THR 28 1HG THR 28 15.013 3.629 7.670 173 HG21 THR 28 3HG2 THR 28 16.370 6.134 6.352 174 HG22 THR 28 1HG2 THR 28 15.156 6.310 5.086 175 HG23 THR 28 2HG2 THR 28 16.700 5.537 4.726 176 H ALA 29 H ALA 29 12.076 2.816 5.432 177 HA ALA 29 HA ALA 29 12.851 0.339 6.430 178 HB1 ALA 29 3HB ALA 29 10.619 -0.195 6.505 179 HB2 ALA 29 1HB ALA 29 10.537 1.564 6.409 180 HB3 ALA 29 2HB ALA 29 10.266 0.588 4.965 181 H THR 30 H THR 30 12.328 -1.811 5.443 182 HA THR 30 HA THR 30 13.221 -1.855 2.635 183 HB THR 30 HB THR 30 14.832 -2.882 4.174 184 HG1 THR 30 1HG THR 30 13.687 -5.079 2.852 185 HG21 THR 30 3HG2 THR 30 14.346 -4.576 5.656 186 HG22 THR 30 1HG2 THR 30 12.930 -5.109 4.750 187 HG23 THR 30 2HG2 THR 30 12.851 -3.643 5.727 188 H GLN 31 H GLN 31 12.601 -4.101 1.611 189 HA GLN 31 HA GLN 31 9.872 -4.110 1.151 190 HB2 GLN 31 1HB GLN 31 11.417 -5.160 -0.387 191 HB3 GLN 31 2HB GLN 31 11.869 -6.354 0.823 192 HG2 GLN 31 1HG GLN 31 10.414 -7.474 -0.614 193 HG3 GLN 31 2HG GLN 31 9.436 -7.076 0.797 194 HE21 GLN 31 1HE2 GLN 31 10.310 -5.852 -2.406 195 HE22 GLN 31 2HE2 GLN 31 8.765 -5.166 -2.759 196 H ALA 32 H ALA 32 11.752 -6.177 3.339 197 HA ALA 32 HA ALA 32 9.798 -7.899 4.219 198 HB1 ALA 32 3HB ALA 32 12.293 -7.762 4.843 199 HB2 ALA 32 1HB ALA 32 11.753 -6.711 6.153 200 HB3 ALA 32 2HB ALA 32 11.156 -8.368 6.047 201 H GLN 33 H GLN 33 10.505 -4.636 5.426 202 HA GLN 33 HA GLN 33 8.453 -4.688 7.408 203 HB2 GLN 33 1HB GLN 33 9.959 -2.370 6.186 204 HB3 GLN 33 2HB GLN 33 8.894 -2.249 7.580 205 HG2 GLN 33 1HG GLN 33 11.113 -4.217 7.684 206 HG3 GLN 33 2HG GLN 33 11.505 -2.504 7.832 207 HE21 GLN 33 1HE2 GLN 33 9.437 -1.513 9.246 208 HE22 GLN 33 2HE2 GLN 33 9.370 -2.236 10.813 209 H ILE 34 H ILE 34 8.747 -2.779 4.405 210 HA ILE 34 HA ILE 34 6.247 -1.678 4.310 211 HB ILE 34 HB ILE 34 7.873 -2.732 1.995 212 HG12 ILE 34 1HG1 ILE 34 7.543 0.144 2.797 213 HG13 ILE 34 2HG1 ILE 34 8.734 -0.872 3.601 214 HG21 ILE 34 1HG2 ILE 34 6.529 -1.198 0.603 215 HG22 ILE 34 2HG2 ILE 34 5.574 -2.508 1.295 216 HG23 ILE 34 3HG2 ILE 34 5.486 -0.890 1.991 217 HD11 ILE 34 3HD1 ILE 34 9.604 -1.397 1.265 218 HD12 ILE 34 1HD1 ILE 34 8.626 -0.030 0.731 219 HD13 ILE 34 2HD1 ILE 34 9.913 0.214 1.912 220 H LYS 35 H LYS 35 7.100 -4.994 3.878 221 HA LYS 35 HA LYS 35 4.561 -5.694 2.651 222 HB2 LYS 35 1HB LYS 35 6.706 -6.827 2.027 223 HB3 LYS 35 2HB LYS 35 6.753 -7.524 3.640 224 HG2 LYS 35 1HG LYS 35 4.390 -8.421 3.034 225 HG3 LYS 35 2HG LYS 35 4.908 -8.122 1.373 226 HD2 LYS 35 1HD LYS 35 7.063 -9.423 2.209 227 HD3 LYS 35 2HD LYS 35 5.905 -10.101 3.356 228 HE2 LYS 35 1HE LYS 35 5.666 -11.598 1.652 229 HE3 LYS 35 2HE LYS 35 4.463 -10.408 1.160 230 HZ1 LYS 35 3HZ LYS 35 6.591 -11.305 -0.326 231 HZ2 LYS 35 1HZ LYS 35 7.039 -9.746 0.156 232 HZ3 LYS 35 2HZ LYS 35 5.592 -9.988 -0.686 233 H ALA 36 H ALA 36 6.259 -6.222 5.720 234 HA ALA 36 HA ALA 36 4.221 -7.754 6.940 235 HB1 ALA 36 3HB ALA 36 5.955 -8.043 8.305 236 HB2 ALA 36 1HB ALA 36 6.754 -6.586 7.714 237 HB3 ALA 36 2HB ALA 36 5.557 -6.474 9.005 238 H ALA 37 H ALA 37 4.720 -4.324 6.569 239 HA ALA 37 HA ALA 37 2.911 -3.469 8.586 240 HB1 ALA 37 3HB ALA 37 4.765 -2.170 7.240 241 HB2 ALA 37 1HB ALA 37 3.408 -1.794 6.178 242 HB3 ALA 37 2HB ALA 37 3.349 -1.338 7.881 243 H TYR 38 H TYR 38 2.562 -3.438 5.031 244 HA TYR 38 HA TYR 38 -0.038 -2.700 4.783 245 HB2 TYR 38 1HB TYR 38 1.241 -3.078 2.809 246 HB3 TYR 38 2HB TYR 38 1.503 -4.770 3.219 247 HD1 TYR 38 1HD TYR 38 -1.312 -2.403 2.545 248 HD2 TYR 38 2HD TYR 38 0.206 -6.359 2.158 249 HE1 TYR 38 1HE TYR 38 -3.285 -3.023 1.215 250 HE2 TYR 38 2HE TYR 38 -1.762 -6.990 0.825 251 HH TYR 38 HH TYR 38 -4.505 -5.493 0.775 252 H TYR 39 H TYR 39 1.165 -5.831 5.808 253 HA TYR 39 HA TYR 39 -1.459 -7.040 5.804 254 HB2 TYR 39 1HB TYR 39 1.307 -7.944 6.472 255 HB3 TYR 39 2HB TYR 39 -0.051 -8.848 7.131 256 HD1 TYR 39 1HD TYR 39 -2.001 -8.995 5.078 257 HD2 TYR 39 2HD TYR 39 2.235 -9.057 4.682 258 HE1 TYR 39 1HE TYR 39 -2.223 -10.216 2.954 259 HE2 TYR 39 2HE TYR 39 2.025 -10.276 2.556 260 HH TYR 39 HH TYR 39 0.315 -10.583 0.771 261 H ARG 40 H ARG 40 0.711 -5.539 8.101 262 HA ARG 40 HA ARG 40 -0.376 -6.406 10.502 263 HB2 ARG 40 1HB ARG 40 1.115 -3.988 9.623 264 HB3 ARG 40 2HB ARG 40 0.306 -3.911 11.183 265 HG2 ARG 40 1HG ARG 40 2.240 -6.079 10.402 266 HG3 ARG 40 2HG ARG 40 2.690 -4.616 11.281 267 HD2 ARG 40 1HD ARG 40 0.452 -6.295 12.309 268 HD3 ARG 40 2HD ARG 40 2.111 -6.839 12.557 269 HE ARG 40 HE ARG 40 2.458 -5.066 14.013 270 HH11 ARG 40 1HH1 ARG 40 -0.673 -4.841 12.507 271 HH12 ARG 40 2HH1 ARG 40 -1.255 -3.628 13.599 272 HH21 ARG 40 1HH2 ARG 40 1.703 -3.470 15.457 273 HH22 ARG 40 2HH2 ARG 40 0.097 -2.849 15.276 274 H GLN 41 H GLN 41 -1.405 -3.758 8.394 275 HA GLN 41 HA GLN 41 -3.420 -2.762 10.114 276 HB2 GLN 41 1HB GLN 41 -3.383 -2.559 7.103 277 HB3 GLN 41 2HB GLN 41 -4.168 -1.471 8.240 278 HG2 GLN 41 1HG GLN 41 -1.313 -1.681 7.471 279 HG3 GLN 41 2HG GLN 41 -2.315 -0.255 7.736 280 HE21 GLN 41 1HE2 GLN 41 0.045 -2.266 9.018 281 HE22 GLN 41 2HE2 GLN 41 0.046 -1.662 10.637 282 H CYS 42 H CYS 42 -3.494 -5.043 7.399 283 HA CYS 42 HA CYS 42 -6.117 -5.491 6.993 284 HB2 CYS 42 1HB CYS 42 -4.334 -6.754 5.867 285 HB3 CYS 42 2HB CYS 42 -4.037 -7.660 7.347 286 HG CYS 42 HG CYS 42 -5.378 -9.533 6.056 287 H PHE 43 H PHE 43 -4.246 -6.784 9.713 288 HA PHE 43 HA PHE 43 -6.404 -8.225 10.861 289 HB2 PHE 43 1HB PHE 43 -4.098 -8.797 11.392 290 HB3 PHE 43 2HB PHE 43 -3.840 -7.205 12.099 291 HD1 PHE 43 1HD PHE 43 -5.410 -6.582 14.082 292 HD2 PHE 43 2HD PHE 43 -4.683 -10.560 12.753 293 HE1 PHE 43 1HE PHE 43 -6.120 -7.441 16.275 294 HE2 PHE 43 2HE PHE 43 -5.393 -11.425 14.944 295 HZ PHE 43 HZ PHE 43 -6.113 -9.865 16.709 296 H LEU 44 H LEU 44 -5.131 -4.972 11.311 297 HA LEU 44 HA LEU 44 -6.719 -4.319 13.568 298 HB2 LEU 44 1HB LEU 44 -5.304 -2.639 11.514 299 HB3 LEU 44 2HB LEU 44 -6.189 -1.944 12.871 300 HG LEU 44 HG LEU 44 -4.051 -3.940 13.437 301 HD11 LEU 44 1HD1 LEU 44 -3.644 -1.312 12.179 302 HD12 LEU 44 2HD1 LEU 44 -2.595 -2.728 12.224 303 HD13 LEU 44 3HD1 LEU 44 -2.662 -1.636 13.607 304 HD21 LEU 44 3HD2 LEU 44 -3.741 -2.273 15.347 305 HD22 LEU 44 1HD2 LEU 44 -5.221 -3.232 15.338 306 HD23 LEU 44 2HD2 LEU 44 -5.256 -1.552 14.801 307 H TYR 45 H TYR 45 -7.291 -4.312 10.142 308 HA TYR 45 HA TYR 45 -10.049 -3.446 10.648 309 HB2 TYR 45 1HB TYR 45 -8.402 -2.499 8.296 310 HB3 TYR 45 2HB TYR 45 -10.061 -2.044 8.671 311 HD1 TYR 45 2HD TYR 45 -6.544 -1.692 9.736 312 HD2 TYR 45 1HD TYR 45 -10.540 -0.323 10.248 313 HE1 TYR 45 2HE TYR 45 -5.716 0.218 11.047 314 HE2 TYR 45 1HE TYR 45 -9.723 1.591 11.559 315 HH TYR 45 HH TYR 45 -6.533 2.553 11.615 316 H HIS 46 H HIS 46 -11.162 -5.249 10.241 317 HA HIS 46 HA HIS 46 -10.494 -6.790 7.822 318 HB2 HIS 46 1HB HIS 46 -11.518 -7.568 10.508 319 HB3 HIS 46 2HB HIS 46 -12.077 -8.498 9.121 320 HD2 HIS 46 2HD HIS 46 -9.303 -8.661 11.578 321 HE1 HIS 46 1HE HIS 46 -7.738 -10.451 8.065 322 HE2 HIS 46 2HE HIS 46 -7.468 -10.168 10.553 323 HA PRO 47 HA PRO 47 -14.355 -5.878 5.953 324 HB2 PRO 47 1HB PRO 47 -15.051 -8.254 4.839 325 HB3 PRO 47 2HB PRO 47 -13.736 -7.250 4.217 326 HG2 PRO 47 1HG PRO 47 -13.604 -9.656 5.993 327 HG3 PRO 47 2HG PRO 47 -12.583 -9.231 4.607 328 HD2 PRO 47 1HD PRO 47 -11.798 -8.841 7.168 329 HD3 PRO 47 2HD PRO 47 -11.295 -7.773 5.842 330 H ASP 48 H ASP 48 -14.219 -8.482 8.257 331 HA ASP 48 HA ASP 48 -17.132 -8.533 8.522 332 HB2 ASP 48 1HB ASP 48 -16.735 -10.448 10.045 333 HB3 ASP 48 2HB ASP 48 -16.037 -10.701 8.447 334 H ARG 49 H ARG 49 -14.241 -8.055 10.542 335 HA ARG 49 HA ARG 49 -15.349 -7.497 12.964 336 HB2 ARG 49 1HB ARG 49 -12.934 -6.494 11.546 337 HB3 ARG 49 2HB ARG 49 -13.421 -5.650 13.010 338 HG2 ARG 49 1HG ARG 49 -13.206 -8.618 13.062 339 HG3 ARG 49 2HG ARG 49 -11.735 -7.645 13.104 340 HD2 ARG 49 1HD ARG 49 -12.727 -6.388 15.028 341 HD3 ARG 49 2HD ARG 49 -14.043 -7.561 15.038 342 HE ARG 49 HE ARG 49 -11.574 -8.910 15.163 343 HH11 ARG 49 1HH1 ARG 49 -13.658 -6.900 17.095 344 HH12 ARG 49 2HH1 ARG 49 -13.123 -7.567 18.602 345 HH21 ARG 49 1HH2 ARG 49 -10.861 -9.797 17.140 346 HH22 ARG 49 2HH2 ARG 49 -11.531 -9.214 18.626 347 H ASN 50 H ASN 50 -14.945 -5.200 10.283 348 HA ASN 50 HA ASN 50 -16.220 -3.055 11.687 349 HB2 ASN 50 1HB ASN 50 -15.363 -3.451 8.825 350 HB3 ASN 50 2HB ASN 50 -16.235 -2.011 9.341 351 HD21 ASN 50 1HD2 ASN 50 -13.305 -3.882 9.767 352 HD22 ASN 50 2HD2 ASN 50 -12.342 -2.586 10.384 353 H SER 51 H SER 51 -17.290 -5.709 9.784 354 HA SER 51 HA SER 51 -19.302 -6.165 8.734 355 HB2 SER 51 1HB SER 51 -19.848 -5.446 11.592 356 HB3 SER 51 2HB SER 51 -21.194 -5.861 10.531 357 HG SER 51 HG SER 51 -20.380 -7.701 11.598 358 H GLY 52 H GLY 52 -18.584 -3.806 7.701 359 HA2 GLY 52 1HA GLY 52 -19.774 -2.283 6.355 360 HA3 GLY 52 2HA GLY 52 -21.158 -2.455 7.423 361 H SER 53 H SER 53 -18.403 -0.607 6.640 362 HA SER 53 HA SER 53 -19.144 1.371 8.637 363 HB2 SER 53 1HB SER 53 -17.388 -0.118 9.681 364 HB3 SER 53 2HB SER 53 -16.272 0.447 8.439 365 HG SER 53 HG SER 53 -17.682 2.322 9.977 366 H ALA 54 H ALA 54 -18.518 3.473 8.110 367 HA ALA 54 HA ALA 54 -17.892 3.857 5.299 368 HB1 ALA 54 3HB ALA 54 -18.983 5.578 7.474 369 HB2 ALA 54 1HB ALA 54 -18.241 6.339 6.066 370 HB3 ALA 54 2HB ALA 54 -19.620 5.258 5.861 371 H GLU 55 H GLU 55 -16.548 4.709 8.464 372 HA GLU 55 HA GLU 55 -14.398 6.261 7.549 373 HB2 GLU 55 1HB GLU 55 -14.856 4.663 10.055 374 HB3 GLU 55 2HB GLU 55 -13.340 5.511 9.781 375 HG2 GLU 55 1HG GLU 55 -14.409 7.616 9.762 376 HG3 GLU 55 2HG GLU 55 -16.009 6.881 9.667 377 H ALA 56 H ALA 56 -14.621 2.791 8.252 378 HA ALA 56 HA ALA 56 -11.917 2.194 7.683 379 HB1 ALA 56 3HB ALA 56 -14.389 0.480 7.746 380 HB2 ALA 56 1HB ALA 56 -12.773 -0.165 7.455 381 HB3 ALA 56 2HB ALA 56 -13.141 0.637 8.982 382 H ALA 57 H ALA 57 -14.871 1.885 5.721 383 HA ALA 57 HA ALA 57 -14.011 0.734 3.447 384 HB1 ALA 57 3HB ALA 57 -15.594 3.273 3.257 385 HB2 ALA 57 1HB ALA 57 -15.729 1.806 2.287 386 HB3 ALA 57 2HB ALA 57 -16.280 1.810 3.963 387 H GLU 58 H GLU 58 -13.947 4.291 3.735 388 HA GLU 58 HA GLU 58 -12.406 4.860 1.546 389 HB2 GLU 58 1HB GLU 58 -12.339 6.262 4.223 390 HB3 GLU 58 2HB GLU 58 -11.723 6.929 2.718 391 HG2 GLU 58 1HG GLU 58 -14.570 6.339 3.456 392 HG3 GLU 58 2HG GLU 58 -13.842 7.894 3.059 393 H ARG 59 H ARG 59 -11.073 4.702 4.853 394 HA ARG 59 HA ARG 59 -8.423 4.844 4.363 395 HB2 ARG 59 1HB ARG 59 -9.607 4.472 6.593 396 HB3 ARG 59 2HB ARG 59 -9.522 2.753 6.233 397 HG2 ARG 59 1HG ARG 59 -7.184 2.726 6.355 398 HG3 ARG 59 2HG ARG 59 -7.076 4.484 6.244 399 HD2 ARG 59 1HD ARG 59 -8.165 4.666 8.444 400 HD3 ARG 59 2HD ARG 59 -8.207 2.907 8.552 401 HE ARG 59 HE ARG 59 -5.975 2.913 9.086 402 HH11 ARG 59 1HH1 ARG 59 -6.892 6.049 7.883 403 HH12 ARG 59 2HH1 ARG 59 -5.391 6.798 8.316 404 HH21 ARG 59 1HH2 ARG 59 -3.994 3.888 9.660 405 HH22 ARG 59 2HH2 ARG 59 -3.743 5.567 9.326 406 H PHE 60 H PHE 60 -10.138 1.716 4.499 407 HA PHE 60 HA PHE 60 -8.226 -0.020 3.755 408 HB2 PHE 60 1HB PHE 60 -10.844 -0.294 4.022 409 HB3 PHE 60 2HB PHE 60 -10.806 -0.237 2.263 410 HD1 PHE 60 1HD PHE 60 -8.636 -1.827 4.851 411 HD2 PHE 60 2HD PHE 60 -11.024 -2.330 1.364 412 HE1 PHE 60 1HE PHE 60 -8.041 -4.214 4.792 413 HE2 PHE 60 2HE PHE 60 -10.433 -4.718 1.300 414 HZ PHE 60 HZ PHE 60 -8.941 -5.663 3.016 415 H THR 61 H THR 61 -10.128 1.907 1.444 416 HA THR 61 HA THR 61 -8.978 1.023 -0.911 417 HB THR 61 HB THR 61 -9.925 3.826 -0.284 418 HG1 THR 61 1HG THR 61 -11.239 1.503 -1.273 419 HG21 THR 61 3HG2 THR 61 -9.557 2.440 -2.943 420 HG22 THR 61 1HG2 THR 61 -8.551 3.744 -2.313 421 HG23 THR 61 2HG2 THR 61 -10.244 4.046 -2.701 422 H ARG 62 H ARG 62 -7.976 3.806 1.077 423 HA ARG 62 HA ARG 62 -5.756 4.522 -0.487 424 HB2 ARG 62 1HB ARG 62 -6.635 5.068 2.312 425 HB3 ARG 62 2HB ARG 62 -4.979 5.459 1.868 426 HG2 ARG 62 1HG ARG 62 -5.938 6.777 -0.059 427 HG3 ARG 62 2HG ARG 62 -7.516 6.561 0.701 428 HD2 ARG 62 1HD ARG 62 -6.574 7.583 2.773 429 HD3 ARG 62 2HD ARG 62 -5.101 7.933 1.870 430 HE ARG 62 HE ARG 62 -7.022 9.070 0.354 431 HH11 ARG 62 1HH1 ARG 62 -6.237 9.270 3.740 432 HH12 ARG 62 2HH1 ARG 62 -6.815 10.894 3.912 433 HH21 ARG 62 1HH2 ARG 62 -7.785 11.209 0.568 434 HH22 ARG 62 2HH2 ARG 62 -7.696 11.996 2.107 435 H ILE 63 H ILE 63 -5.945 2.556 2.476 436 HA ILE 63 HA ILE 63 -3.333 1.965 2.930 437 HB ILE 63 HB ILE 63 -5.652 0.036 3.058 438 HG12 ILE 63 1HG1 ILE 63 -4.327 1.590 5.285 439 HG13 ILE 63 2HG1 ILE 63 -5.756 2.160 4.430 440 HG21 ILE 63 1HG2 ILE 63 -3.567 -1.194 3.002 441 HG22 ILE 63 2HG2 ILE 63 -2.902 -0.171 4.274 442 HG23 ILE 63 3HG2 ILE 63 -4.254 -1.248 4.625 443 HD11 ILE 63 3HD1 ILE 63 -5.779 0.685 6.706 444 HD12 ILE 63 1HD1 ILE 63 -7.115 0.796 5.560 445 HD13 ILE 63 2HD1 ILE 63 -5.990 -0.560 5.474 446 H SER 64 H SER 64 -5.451 0.164 0.699 447 HA SER 64 HA SER 64 -3.610 -1.673 -0.238 448 HB2 SER 64 1HB SER 64 -5.741 -2.122 -0.999 449 HB3 SER 64 2HB SER 64 -6.074 -0.434 -1.384 450 HG SER 64 HG SER 64 -4.126 -1.858 -2.829 451 H GLN 65 H GLN 65 -4.250 1.611 -1.408 452 HA GLN 65 HA GLN 65 -2.643 1.663 -3.646 453 HB2 GLN 65 1HB GLN 65 -3.005 3.898 -1.643 454 HB3 GLN 65 2HB GLN 65 -2.469 4.082 -3.308 455 HG2 GLN 65 1HG GLN 65 -4.760 2.850 -3.791 456 HG3 GLN 65 2HG GLN 65 -5.177 3.554 -2.230 457 HE21 GLN 65 1HE2 GLN 65 -6.748 4.552 -3.866 458 HE22 GLN 65 2HE2 GLN 65 -6.276 6.080 -4.520 459 H ALA 66 H ALA 66 -1.696 2.397 -0.296 460 HA ALA 66 HA ALA 66 0.959 3.042 -0.712 461 HB1 ALA 66 3HB ALA 66 1.305 2.138 1.634 462 HB2 ALA 66 1HB ALA 66 0.072 3.385 1.442 463 HB3 ALA 66 2HB ALA 66 -0.401 1.693 1.604 464 H TYR 67 H TYR 67 -0.573 -0.107 -0.639 465 HA TYR 67 HA TYR 67 1.956 -1.518 -0.682 466 HB2 TYR 67 1HB TYR 67 -0.212 -2.329 0.437 467 HB3 TYR 67 2HB TYR 67 -0.749 -2.741 -1.187 468 HD1 TYR 67 1HD TYR 67 2.585 -3.096 0.456 469 HD2 TYR 67 2HD TYR 67 -0.733 -5.051 -1.354 470 HE1 TYR 67 1HE TYR 67 3.772 -5.244 0.614 471 HE2 TYR 67 2HE TYR 67 0.445 -7.205 -1.199 472 HH TYR 67 HH TYR 67 2.206 -8.263 -0.056 473 H VAL 68 H VAL 68 0.983 0.353 -2.883 474 HA VAL 68 HA VAL 68 1.275 -1.546 -5.121 475 HB VAL 68 HB VAL 68 -0.167 1.107 -5.080 476 HG11 VAL 68 1HG1 VAL 68 0.924 -0.492 -7.283 477 HG12 VAL 68 2HG1 VAL 68 -0.766 -0.025 -7.477 478 HG13 VAL 68 3HG1 VAL 68 0.469 1.211 -7.232 479 HG21 VAL 68 3HG2 VAL 68 -2.089 -0.026 -4.878 480 HG22 VAL 68 1HG2 VAL 68 -1.572 -1.283 -6.002 481 HG23 VAL 68 2HG2 VAL 68 -1.080 -1.356 -4.310 482 H VAL 69 H VAL 69 1.687 1.958 -4.585 483 HA VAL 69 HA VAL 69 3.704 2.310 -6.484 484 HB VAL 69 HB VAL 69 3.286 3.928 -3.967 485 HG11 VAL 69 1HG1 VAL 69 4.939 4.290 -6.407 486 HG12 VAL 69 2HG1 VAL 69 4.161 5.715 -5.717 487 HG13 VAL 69 3HG1 VAL 69 5.268 4.752 -4.738 488 HG21 VAL 69 3HG2 VAL 69 1.784 3.743 -6.495 489 HG22 VAL 69 1HG2 VAL 69 1.258 4.266 -4.895 490 HG23 VAL 69 2HG2 VAL 69 2.145 5.377 -5.938 491 H LEU 70 H LEU 70 3.873 1.418 -3.086 492 HA LEU 70 HA LEU 70 6.794 1.406 -3.177 493 HB2 LEU 70 1HB LEU 70 5.063 0.686 -0.829 494 HB3 LEU 70 2HB LEU 70 6.755 1.180 -0.824 495 HG LEU 70 HG LEU 70 4.532 3.033 -1.647 496 HD11 LEU 70 1HD1 LEU 70 4.076 3.612 0.480 497 HD12 LEU 70 2HD1 LEU 70 5.728 3.330 1.027 498 HD13 LEU 70 3HD1 LEU 70 4.622 1.971 0.826 499 HD21 LEU 70 3HD2 LEU 70 6.872 3.555 -2.317 500 HD22 LEU 70 1HD2 LEU 70 7.306 3.591 -0.608 501 HD23 LEU 70 2HD2 LEU 70 6.148 4.758 -1.248 502 H GLY 71 H GLY 71 4.085 -0.735 -3.287 503 HA2 GLY 71 1HA GLY 71 5.026 -3.123 -2.340 504 HA3 GLY 71 2HA GLY 71 3.998 -2.988 -3.758 505 H SER 72 H SER 72 6.163 -1.394 -5.120 506 HA SER 72 HA SER 72 8.098 -3.551 -5.610 507 HB2 SER 72 1HB SER 72 6.504 -2.042 -7.688 508 HB3 SER 72 2HB SER 72 7.942 -2.989 -8.070 509 HG SER 72 HG SER 72 5.431 -3.833 -7.719 510 H ALA 73 H ALA 73 10.156 -2.896 -5.775 511 HA ALA 73 HA ALA 73 10.993 -0.380 -4.996 512 HB1 ALA 73 3HB ALA 73 13.194 -1.056 -6.128 513 HB2 ALA 73 1HB ALA 73 12.578 -2.083 -4.832 514 HB3 ALA 73 2HB ALA 73 12.370 -2.567 -6.516 515 H THR 74 H THR 74 11.220 -1.664 -8.320 516 HA THR 74 HA THR 74 12.065 0.418 -9.748 517 HB THR 74 HB THR 74 9.655 -1.258 -10.475 518 HG1 THR 74 1HG THR 74 11.827 -2.247 -10.064 519 HG21 THR 74 3HG2 THR 74 9.611 0.615 -11.925 520 HG22 THR 74 1HG2 THR 74 10.385 -0.681 -12.835 521 HG23 THR 74 2HG2 THR 74 11.364 0.599 -12.119 522 H LEU 75 H LEU 75 8.626 0.057 -8.867 523 HA LEU 75 HA LEU 75 7.626 2.389 -9.901 524 HB2 LEU 75 1HB LEU 75 6.881 1.208 -7.231 525 HB3 LEU 75 2HB LEU 75 5.886 2.277 -8.216 526 HG LEU 75 HG LEU 75 6.716 -0.520 -8.988 527 HD11 LEU 75 1HD1 LEU 75 5.168 -0.484 -7.082 528 HD12 LEU 75 2HD1 LEU 75 4.417 -1.140 -8.537 529 HD13 LEU 75 3HD1 LEU 75 4.050 0.506 -8.022 530 HD21 LEU 75 3HD2 LEU 75 6.369 0.667 -10.977 531 HD22 LEU 75 1HD2 LEU 75 5.018 1.578 -10.303 532 HD23 LEU 75 2HD2 LEU 75 4.829 -0.137 -10.668 533 H ARG 76 H ARG 76 8.609 2.042 -6.486 534 HA ARG 76 HA ARG 76 8.450 4.528 -5.543 535 HB2 ARG 76 1HB ARG 76 10.897 2.779 -5.230 536 HB3 ARG 76 2HB ARG 76 10.464 4.123 -4.181 537 HG2 ARG 76 1HG ARG 76 8.220 2.735 -3.950 538 HG3 ARG 76 2HG ARG 76 9.301 1.404 -4.366 539 HD2 ARG 76 1HD ARG 76 10.822 2.523 -2.525 540 HD3 ARG 76 2HD ARG 76 9.278 3.162 -1.964 541 HE ARG 76 HE ARG 76 8.663 1.043 -1.303 542 HH11 ARG 76 1HH1 ARG 76 11.570 0.897 -3.214 543 HH12 ARG 76 2HH1 ARG 76 11.892 -0.763 -2.834 544 HH21 ARG 76 1HH2 ARG 76 9.077 -1.142 -0.795 545 HH22 ARG 76 2HH2 ARG 76 10.473 -1.922 -1.459 546 H ARG 77 H ARG 77 11.204 3.414 -7.508 547 HA ARG 77 HA ARG 77 12.537 5.888 -7.599 548 HB2 ARG 77 1HB ARG 77 12.599 3.653 -9.635 549 HB3 ARG 77 2HB ARG 77 13.784 4.943 -9.482 550 HG2 ARG 77 1HG ARG 77 14.724 4.047 -7.593 551 HG3 ARG 77 2HG ARG 77 13.249 3.193 -7.134 552 HD2 ARG 77 1HD ARG 77 14.515 1.435 -7.866 553 HD3 ARG 77 2HD ARG 77 13.712 1.883 -9.370 554 HE ARG 77 HE ARG 77 16.089 3.324 -9.226 555 HH11 ARG 77 1HH1 ARG 77 15.051 0.010 -9.474 556 HH12 ARG 77 2HH1 ARG 77 16.463 -0.504 -10.335 557 HH21 ARG 77 1HH2 ARG 77 17.953 2.659 -10.360 558 HH22 ARG 77 2HH2 ARG 77 18.114 1.003 -10.838 559 H LYS 78 H LYS 78 10.364 4.352 -9.966 560 HA LYS 78 HA LYS 78 10.340 6.164 -11.982 561 HB2 LYS 78 1HB LYS 78 7.941 4.779 -10.771 562 HB3 LYS 78 2HB LYS 78 7.943 5.575 -12.340 563 HG2 LYS 78 1HG LYS 78 9.725 4.013 -13.071 564 HG3 LYS 78 2HG LYS 78 9.561 3.169 -11.530 565 HD2 LYS 78 1HD LYS 78 8.186 1.908 -12.880 566 HD3 LYS 78 2HD LYS 78 7.033 3.059 -12.199 567 HE2 LYS 78 1HE LYS 78 7.575 4.485 -14.280 568 HE3 LYS 78 2HE LYS 78 8.243 2.994 -14.942 569 HZ1 LYS 78 3HZ LYS 78 6.185 2.500 -15.562 570 HZ2 LYS 78 1HZ LYS 78 5.523 3.787 -14.685 571 HZ3 LYS 78 2HZ LYS 78 5.788 2.296 -13.931 572 H TYR 79 H TYR 79 8.333 6.387 -9.048 573 HA TYR 79 HA TYR 79 7.087 8.809 -9.639 574 HB2 TYR 79 1HB TYR 79 6.652 7.125 -7.714 575 HB3 TYR 79 2HB TYR 79 7.851 8.063 -6.830 576 HD1 TYR 79 1HD TYR 79 4.851 8.750 -8.965 577 HD2 TYR 79 2HD TYR 79 7.000 9.655 -5.406 578 HE1 TYR 79 1HE TYR 79 3.108 10.365 -8.331 579 HE2 TYR 79 2HE TYR 79 5.262 11.272 -4.761 580 HH TYR 79 HH TYR 79 3.363 12.260 -5.335 581 H ASP 80 H ASP 80 10.134 8.167 -7.952 582 HA ASP 80 HA ASP 80 10.710 10.835 -7.260 583 HB2 ASP 80 1HB ASP 80 11.822 8.558 -6.532 584 HB3 ASP 80 2HB ASP 80 12.908 8.902 -7.876 585 H ARG 81 H ARG 81 10.941 9.119 -10.240 586 HA ARG 81 HA ARG 81 12.589 11.242 -11.422 587 HB2 ARG 81 1HB ARG 81 11.780 8.610 -12.665 588 HB3 ARG 81 2HB ARG 81 12.987 9.739 -13.265 589 HG2 ARG 81 1HG ARG 81 13.160 8.142 -10.718 590 HG3 ARG 81 2HG ARG 81 14.040 7.827 -12.216 591 HD2 ARG 81 1HD ARG 81 14.895 10.259 -11.924 592 HD3 ARG 81 2HD ARG 81 14.382 10.056 -10.249 593 HE ARG 81 HE ARG 81 16.167 8.660 -9.904 594 HH11 ARG 81 1HH1 ARG 81 15.704 9.114 -13.324 595 HH12 ARG 81 2HH1 ARG 81 17.180 8.319 -13.762 596 HH21 ARG 81 1HH2 ARG 81 18.112 7.611 -10.467 597 HH22 ARG 81 2HH2 ARG 81 18.548 7.463 -12.136 598 H GLY 82 H GLY 82 9.452 10.734 -10.861 599 HA2 GLY 82 1HA GLY 82 7.568 11.741 -11.725 600 HA3 GLY 82 2HA GLY 82 8.600 12.538 -12.903 601 H LEU 83 H LEU 83 9.200 9.279 -13.043 602 HA LEU 83 HA LEU 83 7.886 9.029 -15.577 603 HB2 LEU 83 1HB LEU 83 9.225 6.858 -13.980 604 HB3 LEU 83 2HB LEU 83 8.914 6.875 -15.715 605 HG LEU 83 HG LEU 83 10.677 8.983 -14.561 606 HD11 LEU 83 1HD1 LEU 83 11.646 6.204 -15.203 607 HD12 LEU 83 2HD1 LEU 83 11.425 6.829 -13.569 608 HD13 LEU 83 3HD1 LEU 83 12.608 7.573 -14.644 609 HD21 LEU 83 3HD2 LEU 83 11.817 8.598 -16.759 610 HD22 LEU 83 1HD2 LEU 83 10.153 9.172 -16.877 611 HD23 LEU 83 2HD2 LEU 83 10.521 7.470 -17.162 612 H LEU 84 H LEU 84 7.101 8.257 -12.319 613 HA LEU 84 HA LEU 84 5.061 6.322 -13.049 614 HB2 LEU 84 1HB LEU 84 6.469 6.119 -10.988 615 HB3 LEU 84 2HB LEU 84 5.627 7.528 -10.347 616 HG LEU 84 HG LEU 84 3.494 6.058 -10.778 617 HD11 LEU 84 1HD1 LEU 84 4.889 3.704 -9.957 618 HD12 LEU 84 2HD1 LEU 84 5.538 4.263 -11.497 619 HD13 LEU 84 3HD1 LEU 84 3.813 3.938 -11.334 620 HD21 LEU 84 3HD2 LEU 84 5.409 5.618 -8.490 621 HD22 LEU 84 1HD2 LEU 84 3.701 5.180 -8.486 622 HD23 LEU 84 2HD2 LEU 84 4.176 6.874 -8.604 623 H SER 85 H SER 85 3.059 6.869 -13.574 624 HA SER 85 HA SER 85 1.935 9.361 -12.485 625 HB2 SER 85 1HB SER 85 1.799 8.391 -15.347 626 HB3 SER 85 2HB SER 85 0.776 9.675 -14.702 627 HG SER 85 HG SER 85 2.489 10.732 -15.524 628 H ASP 86 H ASP 86 -0.568 9.327 -13.304 629 HA ASP 86 HA ASP 86 -1.869 7.491 -11.695 630 HB2 ASP 86 1HB ASP 86 -3.933 8.128 -12.922 631 HB3 ASP 86 2HB ASP 86 -2.964 9.520 -12.445 632 H GLU 87 H GLU 87 -1.211 7.324 -15.171 633 HA GLU 87 HA GLU 87 -2.645 5.173 -15.978 634 HB2 GLU 87 1HB GLU 87 0.097 6.127 -16.660 635 HB3 GLU 87 2HB GLU 87 -0.415 4.565 -17.282 636 HG2 GLU 87 1HG GLU 87 -0.915 6.119 -18.964 637 HG3 GLU 87 2HG GLU 87 -2.454 5.736 -18.195 638 H ASP 88 H ASP 88 0.329 5.086 -14.073 639 HA ASP 88 HA ASP 88 0.479 2.226 -14.031 640 HB2 ASP 88 1HB ASP 88 1.891 4.403 -12.499 641 HB3 ASP 88 2HB ASP 88 2.160 2.697 -12.155 642 H LEU 89 H LEU 89 -0.343 4.670 -11.570 643 HA LEU 89 HA LEU 89 -0.949 3.112 -9.432 644 HB2 LEU 89 1HB LEU 89 -2.085 5.644 -10.485 645 HB3 LEU 89 2HB LEU 89 -2.948 4.844 -9.174 646 HG LEU 89 HG LEU 89 -0.025 5.471 -8.939 647 HD11 LEU 89 1HD1 LEU 89 -0.390 7.630 -8.255 648 HD12 LEU 89 2HD1 LEU 89 -2.087 7.341 -7.873 649 HD13 LEU 89 3HD1 LEU 89 -1.575 7.487 -9.554 650 HD21 LEU 89 3HD2 LEU 89 -1.637 4.012 -7.362 651 HD22 LEU 89 1HD2 LEU 89 -1.909 5.612 -6.673 652 HD23 LEU 89 2HD2 LEU 89 -0.275 4.955 -6.754 653 H ARG 90 H ARG 90 -3.083 3.772 -12.188 654 HA ARG 90 HA ARG 90 -5.427 2.645 -11.450 655 HB2 ARG 90 1HB ARG 90 -4.032 2.227 -14.100 656 HB3 ARG 90 2HB ARG 90 -5.745 1.960 -13.805 657 HG2 ARG 90 1HG ARG 90 -5.656 4.463 -13.000 658 HG3 ARG 90 2HG ARG 90 -4.233 4.504 -14.043 659 HD2 ARG 90 1HD ARG 90 -5.882 3.300 -15.724 660 HD3 ARG 90 2HD ARG 90 -7.097 4.112 -14.738 661 HE ARG 90 HE ARG 90 -5.082 5.940 -15.493 662 HH11 ARG 90 1HH1 ARG 90 -7.787 4.175 -16.793 663 HH12 ARG 90 2HH1 ARG 90 -8.121 5.342 -18.029 664 HH21 ARG 90 1HH2 ARG 90 -5.512 7.483 -17.116 665 HH22 ARG 90 2HH2 ARG 90 -6.826 7.222 -18.213 666 H GLY 91 H GLY 91 -2.594 0.851 -12.639 667 HA2 GLY 91 1HA GLY 91 -2.039 -1.241 -11.496 668 HA3 GLY 91 2HA GLY 91 -3.763 -1.571 -11.417 669 HA PRO 92 HA PRO 92 -1.613 -3.115 -15.448 670 HB2 PRO 92 1HB PRO 92 -0.710 -5.557 -14.680 671 HB3 PRO 92 2HB PRO 92 0.288 -4.099 -14.613 672 HG2 PRO 92 1HG PRO 92 -1.224 -5.462 -12.418 673 HG3 PRO 92 2HG PRO 92 0.412 -4.777 -12.392 674 HD2 PRO 92 1HD PRO 92 -1.729 -3.474 -11.367 675 HD3 PRO 92 2HD PRO 92 -0.359 -2.623 -12.108 676 H GLY 93 H GLY 93 -3.313 -4.938 -12.921 677 HA2 GLY 93 1HA GLY 93 -5.457 -5.567 -14.729 678 HA3 GLY 93 2HA GLY 93 -4.470 -6.966 -14.335 679 H SER 94 H SER 94 -7.184 -6.812 -13.712 680 HA SER 94 HA SER 94 -7.257 -6.285 -10.829 681 HB2 SER 94 1HB SER 94 -9.042 -5.323 -12.308 682 HB3 SER 94 2HB SER 94 -9.565 -6.969 -12.662 683 HG SER 94 HG SER 94 -10.361 -7.162 -10.688 684 H GLY 95 H GLY 95 -8.254 -8.811 -13.143 685 HA2 GLY 95 1HA GLY 95 -7.331 -11.079 -12.542 686 HA3 GLY 95 2HA GLY 95 -7.994 -10.768 -10.944 687 HA PRO 96 HA PRO 96 -11.756 -11.358 -13.948 688 HB2 PRO 96 1HB PRO 96 -11.173 -12.396 -16.387 689 HB3 PRO 96 2HB PRO 96 -11.227 -10.658 -16.071 690 HG2 PRO 96 1HG PRO 96 -8.858 -12.482 -16.224 691 HG3 PRO 96 2HG PRO 96 -9.061 -10.852 -16.894 692 HD2 PRO 96 1HD PRO 96 -7.709 -11.325 -14.596 693 HD3 PRO 96 2HD PRO 96 -8.628 -9.831 -14.874 694 H SER 97 H SER 97 -12.993 -13.190 -13.893 695 HA SER 97 HA SER 97 -11.588 -15.775 -13.808 696 HB2 SER 97 1HB SER 97 -12.190 -14.946 -11.511 697 HB3 SER 97 2HB SER 97 -13.886 -15.018 -11.991 698 HG SER 97 HG SER 97 -12.284 -17.287 -12.348 699 H SER 98 H SER 98 -12.769 -17.579 -14.519 700 HA SER 98 HA SER 98 -15.448 -17.206 -15.562 701 HB2 SER 98 1HB SER 98 -14.253 -16.410 -17.469 702 HB3 SER 98 2HB SER 98 -13.071 -17.714 -17.356 703 HG SER 98 HG SER 98 -14.369 -18.945 -18.451 704 H GLY 99 H GLY 99 -16.588 -19.094 -15.703 705 HA2 GLY 99 1HA GLY 99 -16.916 -21.413 -15.792 706 HA3 GLY 99 2HA GLY 99 -15.187 -21.644 -15.576 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 11.763 27.437 7.031 2 HA2 GLY 1 1HA GLY 1 13.978 27.204 5.098 3 HA3 GLY 1 2HA GLY 1 13.852 26.293 6.595 4 H SER 2 H SER 2 12.828 24.360 6.601 5 HA SER 2 HA SER 2 10.963 23.581 4.580 6 HB2 SER 2 1HB SER 2 12.255 21.914 3.443 7 HB3 SER 2 2HB SER 2 13.186 23.411 3.387 8 HG SER 2 HG SER 2 14.594 21.840 4.013 9 H SER 3 H SER 3 9.639 22.104 5.420 10 HA SER 3 HA SER 3 8.701 20.789 7.046 11 HB2 SER 3 1HB SER 3 9.924 18.659 7.397 12 HB3 SER 3 2HB SER 3 9.857 19.119 5.696 13 HG SER 3 HG SER 3 12.051 19.733 7.378 14 H GLY 4 H GLY 4 9.857 23.046 8.180 15 HA2 GLY 4 1HA GLY 4 11.542 22.302 10.392 16 HA3 GLY 4 2HA GLY 4 10.821 23.880 10.113 17 H SER 5 H SER 5 8.290 23.768 10.323 18 HA SER 5 HA SER 5 7.686 22.264 12.785 19 HB2 SER 5 1HB SER 5 6.590 24.985 12.042 20 HB3 SER 5 2HB SER 5 6.344 24.122 13.560 21 HG SER 5 HG SER 5 8.855 24.210 13.469 22 H SER 6 H SER 6 5.646 21.366 12.995 23 HA SER 6 HA SER 6 4.172 21.092 10.477 24 HB2 SER 6 1HB SER 6 4.556 19.369 12.875 25 HB3 SER 6 2HB SER 6 3.020 19.236 12.019 26 HG SER 6 HG SER 6 5.614 18.643 11.135 27 H GLY 7 H GLY 7 2.564 22.506 10.250 28 HA2 GLY 7 1HA GLY 7 0.241 22.523 11.693 29 HA3 GLY 7 2HA GLY 7 1.249 23.717 12.496 30 H SER 8 H SER 8 1.887 25.596 11.345 31 HA SER 8 HA SER 8 0.028 26.994 10.019 32 HB2 SER 8 1HB SER 8 2.273 27.857 10.708 33 HB3 SER 8 2HB SER 8 2.957 27.112 9.263 34 HG SER 8 HG SER 8 0.991 29.156 9.369 35 H GLN 9 H GLN 9 2.566 25.176 8.290 36 HA GLN 9 HA GLN 9 1.724 25.539 5.712 37 HB2 GLN 9 1HB GLN 9 3.026 23.192 7.062 38 HB3 GLN 9 2HB GLN 9 2.638 23.142 5.348 39 HG2 GLN 9 1HG GLN 9 4.818 23.856 5.324 40 HG3 GLN 9 2HG GLN 9 3.936 25.380 5.244 41 HE21 GLN 9 1HE2 GLN 9 6.024 26.210 6.016 42 HE22 GLN 9 2HE2 GLN 9 6.319 26.235 7.718 43 H GLY 10 H GLY 10 0.736 23.798 4.257 44 HA2 GLY 10 1HA GLY 10 -1.421 22.307 5.548 45 HA3 GLY 10 2HA GLY 10 -1.888 23.564 4.412 46 H ASP 11 H ASP 11 -2.889 21.975 3.097 47 HA ASP 11 HA ASP 11 -1.232 19.912 1.910 48 HB2 ASP 11 1HB ASP 11 -3.740 19.722 2.536 49 HB3 ASP 11 2HB ASP 11 -4.026 20.593 1.032 50 H CYS 12 H CYS 12 -0.262 22.466 1.377 51 HA CYS 12 HA CYS 12 -1.066 23.732 -0.928 52 HB2 CYS 12 1HB CYS 12 1.712 23.281 0.163 53 HB3 CYS 12 2HB CYS 12 1.383 24.330 -1.211 54 HG CYS 12 HG CYS 12 0.299 24.772 2.002 55 H SER 13 H SER 13 1.232 21.025 -0.673 56 HA SER 13 HA SER 13 0.786 20.504 -3.540 57 HB2 SER 13 1HB SER 13 3.259 20.270 -1.849 58 HB3 SER 13 2HB SER 13 3.079 19.288 -3.303 59 HG SER 13 HG SER 13 3.771 21.866 -3.096 60 H TYR 14 H TYR 14 0.132 18.515 -4.144 61 HA TYR 14 HA TYR 14 -1.265 16.811 -2.631 62 HB2 TYR 14 1HB TYR 14 -0.531 14.959 -4.218 63 HB3 TYR 14 2HB TYR 14 -1.203 16.405 -4.963 64 HD1 TYR 14 2HD TYR 14 1.994 14.697 -4.159 65 HD2 TYR 14 1HD TYR 14 0.035 17.625 -6.545 66 HE1 TYR 14 2HE TYR 14 4.016 14.916 -5.542 67 HE2 TYR 14 1HE TYR 14 2.051 17.851 -7.935 68 HH TYR 14 HH TYR 14 5.056 16.602 -7.030 69 H SER 15 H SER 15 -0.918 14.834 -1.528 70 HA SER 15 HA SER 15 1.439 14.844 0.105 71 HB2 SER 15 1HB SER 15 -0.979 14.160 0.762 72 HB3 SER 15 2HB SER 15 -0.565 12.601 0.051 73 HG SER 15 HG SER 15 0.414 13.831 2.356 74 H ARG 16 H ARG 16 3.301 14.183 -0.766 75 HA ARG 16 HA ARG 16 3.336 11.970 -2.658 76 HB2 ARG 16 1HB ARG 16 5.664 12.557 -3.027 77 HB3 ARG 16 2HB ARG 16 4.659 13.997 -3.132 78 HG2 ARG 16 1HG ARG 16 5.323 14.645 -0.884 79 HG3 ARG 16 2HG ARG 16 6.299 13.181 -0.741 80 HD2 ARG 16 1HD ARG 16 6.770 15.052 -3.020 81 HD3 ARG 16 2HD ARG 16 7.401 15.454 -1.423 82 HE ARG 16 HE ARG 16 8.105 12.807 -2.092 83 HH11 ARG 16 1HH1 ARG 16 8.857 16.106 -2.910 84 HH12 ARG 16 2HH1 ARG 16 10.483 15.754 -3.391 85 HH21 ARG 16 1HH2 ARG 16 10.245 12.330 -2.723 86 HH22 ARG 16 2HH2 ARG 16 11.272 13.605 -3.285 87 H THR 17 H THR 17 4.003 12.620 0.661 88 HA THR 17 HA THR 17 5.368 10.031 0.955 89 HB THR 17 HB THR 17 5.773 10.975 3.352 90 HG1 THR 17 1HG THR 17 4.430 12.819 3.110 91 HG21 THR 17 3HG2 THR 17 7.293 12.476 1.268 92 HG22 THR 17 1HG2 THR 17 7.369 10.715 1.277 93 HG23 THR 17 2HG2 THR 17 7.882 11.627 2.697 94 H ALA 18 H ALA 18 2.543 10.168 0.543 95 HA ALA 18 HA ALA 18 1.332 9.716 3.149 96 HB1 ALA 18 3HB ALA 18 -0.139 9.229 0.608 97 HB2 ALA 18 1HB ALA 18 -0.707 9.917 2.130 98 HB3 ALA 18 2HB ALA 18 0.285 10.886 1.039 99 H LEU 19 H LEU 19 1.790 7.888 0.123 100 HA LEU 19 HA LEU 19 0.763 5.453 0.979 101 HB2 LEU 19 1HB LEU 19 3.127 5.693 -0.857 102 HB3 LEU 19 2HB LEU 19 1.865 4.463 -0.856 103 HG LEU 19 HG LEU 19 1.668 7.316 -1.799 104 HD11 LEU 19 1HD1 LEU 19 0.808 6.032 -3.848 105 HD12 LEU 19 2HD1 LEU 19 1.542 4.617 -3.095 106 HD13 LEU 19 3HD1 LEU 19 2.540 6.008 -3.517 107 HD21 LEU 19 3HD2 LEU 19 -0.563 5.306 -1.510 108 HD22 LEU 19 1HD2 LEU 19 -0.686 6.918 -2.216 109 HD23 LEU 19 2HD2 LEU 19 -0.335 6.733 -0.497 110 H TYR 20 H TYR 20 3.641 7.044 1.910 111 HA TYR 20 HA TYR 20 4.884 4.594 2.898 112 HB2 TYR 20 1HB TYR 20 5.909 7.431 3.094 113 HB3 TYR 20 2HB TYR 20 6.822 5.953 3.375 114 HD1 TYR 20 2HD TYR 20 4.964 7.792 0.723 115 HD2 TYR 20 1HD TYR 20 8.013 4.966 1.629 116 HE1 TYR 20 2HE TYR 20 5.631 7.763 -1.643 117 HE2 TYR 20 1HE TYR 20 8.690 4.930 -0.736 118 HH TYR 20 HH TYR 20 8.151 7.076 -2.835 119 H ASP 21 H ASP 21 3.133 7.379 4.010 120 HA ASP 21 HA ASP 21 3.806 7.035 6.784 121 HB2 ASP 21 1HB ASP 21 3.263 9.253 6.107 122 HB3 ASP 21 2HB ASP 21 1.762 8.728 5.349 123 H LEU 22 H LEU 22 1.132 6.143 4.672 124 HA LEU 22 HA LEU 22 -0.704 5.290 6.583 125 HB2 LEU 22 1HB LEU 22 -0.166 4.557 3.742 126 HB3 LEU 22 2HB LEU 22 -1.331 3.614 4.669 127 HG LEU 22 HG LEU 22 -2.311 6.041 5.159 128 HD11 LEU 22 1HD1 LEU 22 -0.776 6.301 2.592 129 HD12 LEU 22 2HD1 LEU 22 -0.780 7.378 3.988 130 HD13 LEU 22 3HD1 LEU 22 -2.197 7.285 2.942 131 HD21 LEU 22 3HD2 LEU 22 -3.543 4.180 4.194 132 HD22 LEU 22 1HD2 LEU 22 -2.774 4.460 2.632 133 HD23 LEU 22 2HD2 LEU 22 -3.870 5.668 3.304 134 H LEU 23 H LEU 23 2.019 3.582 5.120 135 HA LEU 23 HA LEU 23 1.438 1.176 6.647 136 HB2 LEU 23 1HB LEU 23 3.278 1.915 4.441 137 HB3 LEU 23 2HB LEU 23 3.774 0.601 5.506 138 HG LEU 23 HG LEU 23 1.715 -0.615 4.946 139 HD11 LEU 23 1HD1 LEU 23 0.593 0.376 2.773 140 HD12 LEU 23 2HD1 LEU 23 1.141 1.900 3.471 141 HD13 LEU 23 3HD1 LEU 23 0.059 0.850 4.386 142 HD21 LEU 23 3HD2 LEU 23 2.306 -1.157 2.626 143 HD22 LEU 23 1HD2 LEU 23 3.730 -1.044 3.661 144 HD23 LEU 23 2HD2 LEU 23 3.334 0.276 2.561 145 H GLY 24 H GLY 24 3.987 3.640 6.423 146 HA2 GLY 24 1HA GLY 24 4.983 4.499 8.450 147 HA3 GLY 24 2HA GLY 24 4.785 2.906 9.165 148 H VAL 25 H VAL 25 5.896 3.039 5.913 149 HA VAL 25 HA VAL 25 8.563 2.208 6.826 150 HB VAL 25 HB VAL 25 8.841 1.265 4.549 151 HG11 VAL 25 1HG1 VAL 25 7.701 -0.693 5.009 152 HG12 VAL 25 2HG1 VAL 25 7.776 0.071 6.598 153 HG13 VAL 25 3HG1 VAL 25 6.292 0.154 5.648 154 HG21 VAL 25 3HG2 VAL 25 6.760 2.919 3.866 155 HG22 VAL 25 1HG2 VAL 25 7.398 1.608 2.874 156 HG23 VAL 25 2HG2 VAL 25 5.995 1.331 3.905 157 HA PRO 26 HA PRO 26 10.419 5.880 5.271 158 HB2 PRO 26 1HB PRO 26 12.914 4.944 4.756 159 HB3 PRO 26 2HB PRO 26 12.313 5.225 6.394 160 HG2 PRO 26 1HG PRO 26 12.497 2.663 4.857 161 HG3 PRO 26 2HG PRO 26 12.896 2.979 6.555 162 HD2 PRO 26 1HD PRO 26 10.570 1.818 5.797 163 HD3 PRO 26 2HD PRO 26 10.693 2.867 7.225 164 H SER 27 H SER 27 11.603 6.734 3.368 165 HA SER 27 HA SER 27 10.376 5.922 0.962 166 HB2 SER 27 1HB SER 27 11.634 7.655 -0.094 167 HB3 SER 27 2HB SER 27 11.244 8.239 1.523 168 HG SER 27 HG SER 27 13.420 7.275 2.052 169 H THR 28 H THR 28 13.231 4.884 2.557 170 HA THR 28 HA THR 28 14.075 3.416 0.144 171 HB THR 28 HB THR 28 15.757 5.042 0.999 172 HG1 THR 28 1HG THR 28 16.156 2.715 0.107 173 HG21 THR 28 3HG2 THR 28 16.908 3.779 3.149 174 HG22 THR 28 1HG2 THR 28 15.186 3.625 3.492 175 HG23 THR 28 2HG2 THR 28 15.895 5.219 3.233 176 H ALA 29 H ALA 29 12.052 2.662 2.180 177 HA ALA 29 HA ALA 29 13.000 0.753 3.978 178 HB1 ALA 29 3HB ALA 29 10.636 1.757 3.700 179 HB2 ALA 29 1HB ALA 29 10.373 0.417 2.584 180 HB3 ALA 29 2HB ALA 29 10.795 0.094 4.266 181 H THR 30 H THR 30 12.088 -1.661 3.662 182 HA THR 30 HA THR 30 13.169 -2.637 1.098 183 HB THR 30 HB THR 30 14.051 -4.605 2.264 184 HG1 THR 30 1HG THR 30 14.135 -4.161 4.721 185 HG21 THR 30 3HG2 THR 30 15.979 -3.602 3.083 186 HG22 THR 30 1HG2 THR 30 15.097 -2.248 3.787 187 HG23 THR 30 2HG2 THR 30 15.315 -2.345 2.040 188 H GLN 31 H GLN 31 12.333 -4.692 0.368 189 HA GLN 31 HA GLN 31 9.624 -4.896 0.226 190 HB2 GLN 31 1HB GLN 31 11.055 -6.189 -1.225 191 HB3 GLN 31 2HB GLN 31 11.654 -7.131 0.134 192 HG2 GLN 31 1HG GLN 31 10.128 -8.540 -0.900 193 HG3 GLN 31 2HG GLN 31 9.231 -7.866 0.460 194 HE21 GLN 31 1HE2 GLN 31 9.868 -7.329 -2.980 195 HE22 GLN 31 2HE2 GLN 31 8.285 -6.753 -3.363 196 H ALA 32 H ALA 32 11.717 -6.241 2.714 197 HA ALA 32 HA ALA 32 9.812 -7.855 4.008 198 HB1 ALA 32 3HB ALA 32 11.560 -6.925 5.982 199 HB2 ALA 32 1HB ALA 32 11.683 -8.423 5.058 200 HB3 ALA 32 2HB ALA 32 12.504 -6.967 4.493 201 H GLN 33 H GLN 33 10.704 -4.458 4.448 202 HA GLN 33 HA GLN 33 8.945 -4.057 6.667 203 HB2 GLN 33 1HB GLN 33 10.333 -2.084 4.847 204 HB3 GLN 33 2HB GLN 33 9.442 -1.643 6.298 205 HG2 GLN 33 1HG GLN 33 11.081 -3.372 7.418 206 HG3 GLN 33 2HG GLN 33 12.078 -2.980 6.018 207 HE21 GLN 33 1HE2 GLN 33 12.385 -0.621 5.616 208 HE22 GLN 33 2HE2 GLN 33 12.616 0.396 6.993 209 H ILE 34 H ILE 34 8.881 -2.585 3.417 210 HA ILE 34 HA ILE 34 6.437 -1.455 3.385 211 HB ILE 34 HB ILE 34 7.573 -3.109 1.126 212 HG12 ILE 34 1HG1 ILE 34 7.830 -0.153 1.724 213 HG13 ILE 34 2HG1 ILE 34 9.097 -1.350 1.963 214 HG21 ILE 34 1HG2 ILE 34 5.769 -0.763 0.745 215 HG22 ILE 34 2HG2 ILE 34 6.068 -2.137 -0.318 216 HG23 ILE 34 3HG2 ILE 34 5.078 -2.340 1.127 217 HD11 ILE 34 3HD1 ILE 34 9.732 -0.557 -0.056 218 HD12 ILE 34 1HD1 ILE 34 8.613 -1.804 -0.604 219 HD13 ILE 34 2HD1 ILE 34 8.090 -0.122 -0.528 220 H LYS 35 H LYS 35 7.097 -4.901 3.113 221 HA LYS 35 HA LYS 35 4.365 -5.612 2.590 222 HB2 LYS 35 1HB LYS 35 6.361 -6.964 1.872 223 HB3 LYS 35 2HB LYS 35 6.597 -7.403 3.558 224 HG2 LYS 35 1HG LYS 35 4.239 -8.317 3.513 225 HG3 LYS 35 2HG LYS 35 4.302 -8.119 1.760 226 HD2 LYS 35 1HD LYS 35 6.494 -9.474 1.913 227 HD3 LYS 35 2HD LYS 35 5.916 -9.938 3.515 228 HE2 LYS 35 1HE LYS 35 3.977 -10.962 2.612 229 HE3 LYS 35 2HE LYS 35 4.260 -10.255 1.022 230 HZ1 LYS 35 3HZ LYS 35 5.018 -12.391 0.745 231 HZ2 LYS 35 1HZ LYS 35 5.628 -12.513 2.318 232 HZ3 LYS 35 2HZ LYS 35 6.454 -11.598 1.159 233 H ALA 36 H ALA 36 6.503 -6.365 5.348 234 HA ALA 36 HA ALA 36 4.733 -7.373 7.127 235 HB1 ALA 36 3HB ALA 36 6.686 -7.351 8.207 236 HB2 ALA 36 1HB ALA 36 7.250 -5.923 7.339 237 HB3 ALA 36 2HB ALA 36 6.223 -5.743 8.762 238 H ALA 37 H ALA 37 5.204 -3.941 6.407 239 HA ALA 37 HA ALA 37 3.526 -2.881 8.381 240 HB1 ALA 37 3HB ALA 37 4.201 -0.961 7.496 241 HB2 ALA 37 1HB ALA 37 5.041 -1.884 6.250 242 HB3 ALA 37 2HB ALA 37 3.392 -1.322 5.971 243 H TYR 38 H TYR 38 2.761 -3.320 4.920 244 HA TYR 38 HA TYR 38 0.123 -2.701 4.898 245 HB2 TYR 38 1HB TYR 38 1.093 -3.282 2.832 246 HB3 TYR 38 2HB TYR 38 1.618 -4.855 3.421 247 HD1 TYR 38 1HD TYR 38 -1.241 -2.906 2.190 248 HD2 TYR 38 2HD TYR 38 0.108 -6.736 3.462 249 HE1 TYR 38 1HE TYR 38 -3.278 -3.926 1.262 250 HE2 TYR 38 2HE TYR 38 -1.925 -7.766 2.536 251 HH TYR 38 HH TYR 38 -4.077 -7.274 1.824 252 H TYR 39 H TYR 39 1.555 -5.692 6.076 253 HA TYR 39 HA TYR 39 -0.816 -7.159 6.423 254 HB2 TYR 39 1HB TYR 39 1.951 -7.314 7.520 255 HB3 TYR 39 2HB TYR 39 0.691 -8.237 8.332 256 HD1 TYR 39 1HD TYR 39 -0.973 -9.272 6.257 257 HD2 TYR 39 2HD TYR 39 3.246 -8.725 6.236 258 HE1 TYR 39 1HE TYR 39 -0.756 -11.053 4.574 259 HE2 TYR 39 2HE TYR 39 3.475 -10.504 4.553 260 HH TYR 39 HH TYR 39 1.929 -11.531 2.739 261 H ARG 40 H ARG 40 1.010 -5.135 8.709 262 HA ARG 40 HA ARG 40 -0.586 -5.490 10.950 263 HB2 ARG 40 1HB ARG 40 1.091 -3.172 10.017 264 HB3 ARG 40 2HB ARG 40 0.212 -3.114 11.539 265 HG2 ARG 40 1HG ARG 40 1.426 -5.364 12.016 266 HG3 ARG 40 2HG ARG 40 2.534 -4.814 10.758 267 HD2 ARG 40 1HD ARG 40 2.493 -2.588 12.160 268 HD3 ARG 40 2HD ARG 40 2.001 -3.674 13.459 269 HE ARG 40 HE ARG 40 4.174 -4.318 13.605 270 HH11 ARG 40 1HH1 ARG 40 3.581 -3.228 10.352 271 HH12 ARG 40 2HH1 ARG 40 5.217 -3.468 9.834 272 HH21 ARG 40 1HH2 ARG 40 6.331 -4.638 12.935 273 HH22 ARG 40 2HH2 ARG 40 6.780 -4.271 11.304 274 H GLN 41 H GLN 41 -1.020 -3.358 8.187 275 HA GLN 41 HA GLN 41 -2.977 -1.651 9.095 276 HB2 GLN 41 1HB GLN 41 -2.822 -2.941 6.365 277 HB3 GLN 41 2HB GLN 41 -3.737 -1.492 6.761 278 HG2 GLN 41 1HG GLN 41 -0.759 -1.847 6.703 279 HG3 GLN 41 2HG GLN 41 -1.753 -0.767 5.727 280 HE21 GLN 41 1HE2 GLN 41 0.227 -0.987 8.379 281 HE22 GLN 41 2HE2 GLN 41 -0.208 0.486 9.170 282 H CYS 42 H CYS 42 -3.536 -4.779 7.472 283 HA CYS 42 HA CYS 42 -6.291 -4.859 7.715 284 HB2 CYS 42 1HB CYS 42 -5.047 -6.465 6.364 285 HB3 CYS 42 2HB CYS 42 -4.332 -7.162 7.812 286 HG CYS 42 HG CYS 42 -7.488 -7.347 8.341 287 H PHE 43 H PHE 43 -3.845 -6.088 9.981 288 HA PHE 43 HA PHE 43 -5.477 -7.237 11.876 289 HB2 PHE 43 1HB PHE 43 -3.232 -7.560 12.315 290 HB3 PHE 43 2HB PHE 43 -2.821 -5.876 12.003 291 HD1 PHE 43 2HD PHE 43 -4.226 -8.216 14.467 292 HD2 PHE 43 1HD PHE 43 -2.864 -4.250 13.737 293 HE1 PHE 43 2HE PHE 43 -4.232 -7.772 16.887 294 HE2 PHE 43 1HE PHE 43 -2.867 -3.800 16.156 295 HZ PHE 43 HZ PHE 43 -3.553 -5.561 17.734 296 H LEU 44 H LEU 44 -4.353 -3.855 11.839 297 HA LEU 44 HA LEU 44 -5.603 -2.886 14.066 298 HB2 LEU 44 1HB LEU 44 -5.009 -1.667 11.404 299 HB3 LEU 44 2HB LEU 44 -5.902 -0.742 12.610 300 HG LEU 44 HG LEU 44 -3.293 -1.971 13.373 301 HD11 LEU 44 1HD1 LEU 44 -1.985 -0.459 12.296 302 HD12 LEU 44 2HD1 LEU 44 -3.256 0.762 12.224 303 HD13 LEU 44 3HD1 LEU 44 -3.276 -0.598 11.102 304 HD21 LEU 44 3HD2 LEU 44 -3.224 0.242 14.642 305 HD22 LEU 44 1HD2 LEU 44 -4.418 -0.950 15.159 306 HD23 LEU 44 2HD2 LEU 44 -4.915 0.427 14.174 307 H TYR 45 H TYR 45 -7.027 -3.306 10.847 308 HA TYR 45 HA TYR 45 -9.677 -2.814 12.036 309 HB2 TYR 45 1HB TYR 45 -8.924 -2.622 9.115 310 HB3 TYR 45 2HB TYR 45 -10.454 -2.150 9.846 311 HD1 TYR 45 2HD TYR 45 -6.805 -1.403 10.200 312 HD2 TYR 45 1HD TYR 45 -10.788 0.094 10.254 313 HE1 TYR 45 2HE TYR 45 -5.938 0.875 10.530 314 HE2 TYR 45 1HE TYR 45 -9.932 2.376 10.583 315 HH TYR 45 HH TYR 45 -7.563 3.559 9.970 316 H HIS 46 H HIS 46 -9.671 -5.042 12.771 317 HA HIS 46 HA HIS 46 -9.522 -7.228 10.975 318 HB2 HIS 46 1HB HIS 46 -9.412 -7.098 13.620 319 HB3 HIS 46 2HB HIS 46 -11.137 -7.421 13.478 320 HD2 HIS 46 2HD HIS 46 -7.948 -9.163 11.871 321 HE1 HIS 46 1HE HIS 46 -10.693 -12.109 13.207 322 HE2 HIS 46 2HE HIS 46 -8.430 -11.685 12.186 323 HA PRO 47 HA PRO 47 -13.469 -7.020 9.028 324 HB2 PRO 47 1HB PRO 47 -13.659 -9.604 8.216 325 HB3 PRO 47 2HB PRO 47 -12.587 -8.430 7.442 326 HG2 PRO 47 1HG PRO 47 -11.943 -10.529 9.477 327 HG3 PRO 47 2HG PRO 47 -11.042 -10.069 8.020 328 HD2 PRO 47 1HD PRO 47 -10.340 -9.224 10.495 329 HD3 PRO 47 2HD PRO 47 -10.080 -8.240 9.041 330 H ASP 48 H ASP 48 -12.778 -9.096 11.696 331 HA ASP 48 HA ASP 48 -15.454 -10.121 11.977 332 HB2 ASP 48 1HB ASP 48 -13.482 -11.394 12.759 333 HB3 ASP 48 2HB ASP 48 -13.163 -10.139 13.954 334 H ARG 49 H ARG 49 -13.445 -7.837 13.837 335 HA ARG 49 HA ARG 49 -15.496 -7.039 15.598 336 HB2 ARG 49 1HB ARG 49 -12.828 -5.944 14.821 337 HB3 ARG 49 2HB ARG 49 -13.924 -4.919 15.738 338 HG2 ARG 49 1HG ARG 49 -13.376 -7.685 16.700 339 HG3 ARG 49 2HG ARG 49 -12.171 -6.421 16.954 340 HD2 ARG 49 1HD ARG 49 -15.012 -5.875 17.669 341 HD3 ARG 49 2HD ARG 49 -14.047 -6.893 18.737 342 HE ARG 49 HE ARG 49 -13.908 -4.083 18.524 343 HH11 ARG 49 1HH1 ARG 49 -11.878 -6.888 18.887 344 HH12 ARG 49 2HH1 ARG 49 -10.625 -6.034 19.725 345 HH21 ARG 49 1HH2 ARG 49 -12.265 -2.948 19.626 346 HH22 ARG 49 2HH2 ARG 49 -10.846 -3.793 20.146 347 H ASN 50 H ASN 50 -14.095 -5.276 12.826 348 HA ASN 50 HA ASN 50 -16.293 -3.408 12.811 349 HB2 ASN 50 1HB ASN 50 -14.231 -3.648 10.635 350 HB3 ASN 50 2HB ASN 50 -15.089 -2.212 11.187 351 HD21 ASN 50 1HD2 ASN 50 -12.353 -4.215 11.580 352 HD22 ASN 50 2HD2 ASN 50 -11.598 -3.323 12.853 353 H SER 51 H SER 51 -17.296 -5.938 12.490 354 HA SER 51 HA SER 51 -17.598 -7.070 10.043 355 HB2 SER 51 1HB SER 51 -18.755 -7.617 12.315 356 HB3 SER 51 2HB SER 51 -20.054 -6.592 11.706 357 HG SER 51 HG SER 51 -20.468 -8.703 11.099 358 H GLY 52 H GLY 52 -19.479 -4.298 11.254 359 HA2 GLY 52 1HA GLY 52 -20.065 -3.618 8.440 360 HA3 GLY 52 2HA GLY 52 -21.301 -3.516 9.685 361 H SER 53 H SER 53 -18.241 -2.168 8.576 362 HA SER 53 HA SER 53 -18.858 0.279 10.100 363 HB2 SER 53 1HB SER 53 -16.850 -0.685 11.004 364 HB3 SER 53 2HB SER 53 -16.173 -0.920 9.393 365 HG SER 53 HG SER 53 -16.888 1.661 10.239 366 H ALA 54 H ALA 54 -18.790 2.217 9.052 367 HA ALA 54 HA ALA 54 -18.674 2.090 6.135 368 HB1 ALA 54 3HB ALA 54 -19.417 4.587 7.564 369 HB2 ALA 54 1HB ALA 54 -20.067 3.896 6.077 370 HB3 ALA 54 2HB ALA 54 -20.528 3.219 7.640 371 H GLU 55 H GLU 55 -17.048 3.557 8.869 372 HA GLU 55 HA GLU 55 -15.471 5.372 7.326 373 HB2 GLU 55 1HB GLU 55 -15.340 4.374 10.159 374 HB3 GLU 55 2HB GLU 55 -14.070 5.393 9.496 375 HG2 GLU 55 1HG GLU 55 -15.558 7.196 9.164 376 HG3 GLU 55 2HG GLU 55 -16.967 6.180 9.464 377 H ALA 56 H ALA 56 -14.975 2.135 8.644 378 HA ALA 56 HA ALA 56 -12.259 1.832 8.149 379 HB1 ALA 56 3HB ALA 56 -14.537 0.048 8.595 380 HB2 ALA 56 1HB ALA 56 -13.223 -0.672 7.663 381 HB3 ALA 56 2HB ALA 56 -12.906 -0.001 9.264 382 H ALA 57 H ALA 57 -15.000 1.067 6.009 383 HA ALA 57 HA ALA 57 -13.847 -0.044 3.852 384 HB1 ALA 57 3HB ALA 57 -15.643 2.265 3.293 385 HB2 ALA 57 1HB ALA 57 -15.643 0.640 2.606 386 HB3 ALA 57 2HB ALA 57 -16.264 0.910 4.235 387 H GLU 58 H GLU 58 -14.166 3.507 4.082 388 HA GLU 58 HA GLU 58 -12.668 4.279 1.959 389 HB2 GLU 58 1HB GLU 58 -12.691 5.530 4.710 390 HB3 GLU 58 2HB GLU 58 -12.051 6.312 3.272 391 HG2 GLU 58 1HG GLU 58 -14.899 5.403 3.616 392 HG3 GLU 58 2HG GLU 58 -14.324 7.054 3.847 393 H ARG 59 H ARG 59 -11.290 3.922 5.233 394 HA ARG 59 HA ARG 59 -8.641 4.272 4.657 395 HB2 ARG 59 1HB ARG 59 -9.900 3.693 6.900 396 HB3 ARG 59 2HB ARG 59 -9.387 2.055 6.518 397 HG2 ARG 59 1HG ARG 59 -7.756 2.973 7.961 398 HG3 ARG 59 2HG ARG 59 -7.044 2.933 6.347 399 HD2 ARG 59 1HD ARG 59 -6.503 5.039 7.330 400 HD3 ARG 59 2HD ARG 59 -7.713 5.324 6.079 401 HE ARG 59 HE ARG 59 -8.058 5.618 8.949 402 HH11 ARG 59 1HH1 ARG 59 -9.534 5.502 5.798 403 HH12 ARG 59 2HH1 ARG 59 -10.981 6.310 6.302 404 HH21 ARG 59 1HH2 ARG 59 -9.959 6.683 9.625 405 HH22 ARG 59 2HH2 ARG 59 -11.221 6.982 8.479 406 H PHE 60 H PHE 60 -10.298 1.111 4.715 407 HA PHE 60 HA PHE 60 -8.298 -0.545 3.922 408 HB2 PHE 60 1HB PHE 60 -11.230 -0.531 3.308 409 HB3 PHE 60 2HB PHE 60 -10.196 -1.750 2.570 410 HD1 PHE 60 2HD PHE 60 -8.421 -2.697 4.478 411 HD2 PHE 60 1HD PHE 60 -12.393 -1.304 5.113 412 HE1 PHE 60 2HE PHE 60 -8.568 -4.058 6.523 413 HE2 PHE 60 1HE PHE 60 -12.546 -2.662 7.159 414 HZ PHE 60 HZ PHE 60 -10.633 -4.042 7.866 415 H THR 61 H THR 61 -10.354 1.376 1.753 416 HA THR 61 HA THR 61 -9.256 0.539 -0.670 417 HB THR 61 HB THR 61 -10.306 3.313 -0.090 418 HG1 THR 61 1HG THR 61 -12.262 2.473 -0.077 419 HG21 THR 61 3HG2 THR 61 -10.411 1.725 -2.651 420 HG22 THR 61 1HG2 THR 61 -9.141 2.891 -2.285 421 HG23 THR 61 2HG2 THR 61 -10.817 3.425 -2.417 422 H ARG 62 H ARG 62 -8.394 3.361 1.324 423 HA ARG 62 HA ARG 62 -6.331 4.317 -0.308 424 HB2 ARG 62 1HB ARG 62 -7.042 4.631 2.577 425 HB3 ARG 62 2HB ARG 62 -5.476 5.209 2.025 426 HG2 ARG 62 1HG ARG 62 -6.648 6.575 0.313 427 HG3 ARG 62 2HG ARG 62 -8.180 6.079 1.036 428 HD2 ARG 62 1HD ARG 62 -7.087 6.956 3.240 429 HD3 ARG 62 2HD ARG 62 -6.043 7.851 2.137 430 HE ARG 62 HE ARG 62 -8.845 8.322 2.655 431 HH11 ARG 62 1HH1 ARG 62 -6.160 8.856 0.504 432 HH12 ARG 62 2HH1 ARG 62 -6.849 10.273 -0.215 433 HH21 ARG 62 1HH2 ARG 62 -9.763 10.187 1.716 434 HH22 ARG 62 2HH2 ARG 62 -8.898 11.030 0.476 435 H ILE 63 H ILE 63 -6.123 2.269 2.603 436 HA ILE 63 HA ILE 63 -3.426 1.858 2.740 437 HB ILE 63 HB ILE 63 -5.585 -0.203 3.202 438 HG12 ILE 63 1HG1 ILE 63 -4.125 1.397 5.291 439 HG13 ILE 63 2HG1 ILE 63 -5.564 2.032 4.502 440 HG21 ILE 63 1HG2 ILE 63 -3.520 -1.365 2.978 441 HG22 ILE 63 2HG2 ILE 63 -2.675 -0.179 3.972 442 HG23 ILE 63 3HG2 ILE 63 -3.870 -1.251 4.703 443 HD11 ILE 63 3HD1 ILE 63 -5.996 0.946 6.683 444 HD12 ILE 63 1HD1 ILE 63 -6.890 0.230 5.343 445 HD13 ILE 63 2HD1 ILE 63 -5.461 -0.582 5.983 446 H SER 64 H SER 64 -5.686 -0.256 0.960 447 HA SER 64 HA SER 64 -3.963 -2.005 -0.197 448 HB2 SER 64 1HB SER 64 -5.574 -2.361 -1.921 449 HB3 SER 64 2HB SER 64 -6.484 -1.892 -0.485 450 HG SER 64 HG SER 64 -7.171 -0.205 -1.520 451 H GLN 65 H GLN 65 -4.610 1.301 -1.259 452 HA GLN 65 HA GLN 65 -3.191 1.277 -3.657 453 HB2 GLN 65 1HB GLN 65 -3.362 3.620 -1.762 454 HB3 GLN 65 2HB GLN 65 -3.146 3.672 -3.507 455 HG2 GLN 65 1HG GLN 65 -5.451 2.389 -3.476 456 HG3 GLN 65 2HG GLN 65 -5.595 3.181 -1.908 457 HE21 GLN 65 1HE2 GLN 65 -7.364 3.753 -3.894 458 HE22 GLN 65 2HE2 GLN 65 -7.104 5.359 -4.474 459 H ALA 66 H ALA 66 -2.060 2.270 -0.426 460 HA ALA 66 HA ALA 66 0.527 2.947 -0.964 461 HB1 ALA 66 3HB ALA 66 1.026 1.919 1.350 462 HB2 ALA 66 1HB ALA 66 -0.136 3.241 1.241 463 HB3 ALA 66 2HB ALA 66 -0.704 1.579 1.397 464 H TYR 67 H TYR 67 -0.857 -0.265 -0.893 465 HA TYR 67 HA TYR 67 1.758 -1.517 -1.182 466 HB2 TYR 67 1HB TYR 67 -0.230 -2.423 0.224 467 HB3 TYR 67 2HB TYR 67 -0.863 -2.979 -1.321 468 HD1 TYR 67 1HD TYR 67 2.529 -2.961 0.262 469 HD2 TYR 67 2HD TYR 67 -0.537 -5.238 -1.614 470 HE1 TYR 67 1HE TYR 67 3.936 -4.973 0.417 471 HE2 TYR 67 2HE TYR 67 0.861 -7.256 -1.463 472 HH TYR 67 HH TYR 67 4.192 -7.106 -0.378 473 H VAL 68 H VAL 68 0.636 0.247 -3.267 474 HA VAL 68 HA VAL 68 0.572 -1.696 -5.485 475 HB VAL 68 HB VAL 68 -0.832 0.971 -5.299 476 HG11 VAL 68 1HG1 VAL 68 0.203 -0.317 -7.587 477 HG12 VAL 68 2HG1 VAL 68 -1.549 -0.524 -7.621 478 HG13 VAL 68 3HG1 VAL 68 -0.853 1.093 -7.515 479 HG21 VAL 68 3HG2 VAL 68 -2.111 -1.677 -5.866 480 HG22 VAL 68 1HG2 VAL 68 -1.785 -1.169 -4.208 481 HG23 VAL 68 2HG2 VAL 68 -2.839 -0.199 -5.237 482 H VAL 69 H VAL 69 1.226 1.760 -4.867 483 HA VAL 69 HA VAL 69 2.990 2.029 -7.076 484 HB VAL 69 HB VAL 69 2.720 3.778 -4.627 485 HG11 VAL 69 1HG1 VAL 69 4.671 4.578 -5.465 486 HG12 VAL 69 2HG1 VAL 69 4.348 3.977 -7.093 487 HG13 VAL 69 3HG1 VAL 69 3.565 5.452 -6.524 488 HG21 VAL 69 3HG2 VAL 69 1.146 3.486 -7.095 489 HG22 VAL 69 1HG2 VAL 69 0.679 4.117 -5.516 490 HG23 VAL 69 2HG2 VAL 69 1.555 5.143 -6.652 491 H LEU 70 H LEU 70 3.417 1.135 -3.730 492 HA LEU 70 HA LEU 70 6.330 1.223 -4.004 493 HB2 LEU 70 1HB LEU 70 4.862 0.399 -1.528 494 HB3 LEU 70 2HB LEU 70 6.472 1.098 -1.681 495 HG LEU 70 HG LEU 70 4.071 2.725 -2.411 496 HD11 LEU 70 1HD1 LEU 70 4.907 3.249 0.276 497 HD12 LEU 70 2HD1 LEU 70 4.407 1.565 0.124 498 HD13 LEU 70 3HD1 LEU 70 3.300 2.858 -0.339 499 HD21 LEU 70 3HD2 LEU 70 5.721 4.432 -1.289 500 HD22 LEU 70 1HD2 LEU 70 5.962 3.901 -2.954 501 HD23 LEU 70 2HD2 LEU 70 6.916 3.186 -1.654 502 H GLY 71 H GLY 71 3.658 -0.994 -3.807 503 HA2 GLY 71 1HA GLY 71 4.591 -3.354 -2.959 504 HA3 GLY 71 2HA GLY 71 3.645 -3.232 -4.436 505 H SER 72 H SER 72 5.400 -1.999 -6.145 506 HA SER 72 HA SER 72 7.430 -4.095 -6.463 507 HB2 SER 72 1HB SER 72 6.217 -4.099 -8.432 508 HB3 SER 72 2HB SER 72 5.912 -2.363 -8.371 509 HG SER 72 HG SER 72 8.526 -3.344 -8.735 510 H ALA 73 H ALA 73 9.388 -3.572 -5.769 511 HA ALA 73 HA ALA 73 10.434 -1.293 -4.875 512 HB1 ALA 73 3HB ALA 73 12.362 -2.409 -4.858 513 HB2 ALA 73 1HB ALA 73 11.500 -3.715 -5.671 514 HB3 ALA 73 2HB ALA 73 12.399 -2.528 -6.617 515 H THR 74 H THR 74 10.714 -2.207 -8.315 516 HA THR 74 HA THR 74 11.950 -0.040 -9.364 517 HB THR 74 HB THR 74 9.556 -1.447 -10.564 518 HG1 THR 74 1HG THR 74 12.294 -2.001 -10.397 519 HG21 THR 74 3HG2 THR 74 10.632 -0.683 -12.733 520 HG22 THR 74 1HG2 THR 74 11.580 0.438 -11.757 521 HG23 THR 74 2HG2 THR 74 9.821 0.563 -11.786 522 H LEU 75 H LEU 75 8.387 -0.252 -9.255 523 HA LEU 75 HA LEU 75 7.673 2.232 -10.010 524 HB2 LEU 75 1HB LEU 75 6.516 0.751 -7.653 525 HB3 LEU 75 2HB LEU 75 5.729 2.066 -8.522 526 HG LEU 75 HG LEU 75 6.400 -0.650 -9.655 527 HD11 LEU 75 1HD1 LEU 75 3.625 0.353 -9.380 528 HD12 LEU 75 2HD1 LEU 75 4.441 -0.203 -7.920 529 HD13 LEU 75 3HD1 LEU 75 4.253 -1.293 -9.293 530 HD21 LEU 75 3HD2 LEU 75 5.233 0.048 -11.629 531 HD22 LEU 75 1HD2 LEU 75 6.498 1.228 -11.286 532 HD23 LEU 75 2HD2 LEU 75 4.818 1.598 -10.894 533 H ARG 76 H ARG 76 8.402 1.392 -6.619 534 HA ARG 76 HA ARG 76 8.165 3.814 -5.413 535 HB2 ARG 76 1HB ARG 76 8.959 1.527 -4.469 536 HB3 ARG 76 2HB ARG 76 10.575 2.123 -4.825 537 HG2 ARG 76 1HG ARG 76 10.258 4.001 -3.352 538 HG3 ARG 76 2HG ARG 76 8.579 3.538 -3.071 539 HD2 ARG 76 1HD ARG 76 9.701 2.727 -1.195 540 HD3 ARG 76 2HD ARG 76 9.541 1.312 -2.234 541 HE ARG 76 HE ARG 76 11.984 2.686 -1.516 542 HH11 ARG 76 1HH1 ARG 76 10.428 0.439 -3.672 543 HH12 ARG 76 2HH1 ARG 76 11.907 -0.328 -4.150 544 HH21 ARG 76 1HH2 ARG 76 13.937 1.685 -2.137 545 HH22 ARG 76 2HH2 ARG 76 13.902 0.381 -3.276 546 H ARG 77 H ARG 77 11.273 2.634 -6.718 547 HA ARG 77 HA ARG 77 12.762 4.913 -6.447 548 HB2 ARG 77 1HB ARG 77 12.826 2.924 -8.722 549 HB3 ARG 77 2HB ARG 77 14.080 4.115 -8.407 550 HG2 ARG 77 1HG ARG 77 14.872 3.006 -6.576 551 HG3 ARG 77 2HG ARG 77 13.310 2.271 -6.210 552 HD2 ARG 77 1HD ARG 77 14.644 0.499 -6.974 553 HD3 ARG 77 2HD ARG 77 13.627 0.925 -8.349 554 HE ARG 77 HE ARG 77 15.881 2.392 -8.731 555 HH11 ARG 77 1HH1 ARG 77 15.248 -0.989 -8.196 556 HH12 ARG 77 2HH1 ARG 77 16.619 -1.525 -9.109 557 HH21 ARG 77 1HH2 ARG 77 17.690 1.699 -9.936 558 HH22 ARG 77 2HH2 ARG 77 18.008 0.006 -10.098 559 H LYS 78 H LYS 78 10.708 4.053 -9.220 560 HA LYS 78 HA LYS 78 11.198 6.217 -10.856 561 HB2 LYS 78 1HB LYS 78 8.520 4.881 -10.422 562 HB3 LYS 78 2HB LYS 78 8.995 5.819 -11.832 563 HG2 LYS 78 1HG LYS 78 10.753 4.149 -12.306 564 HG3 LYS 78 2HG LYS 78 10.161 3.188 -10.948 565 HD2 LYS 78 1HD LYS 78 9.122 2.231 -12.809 566 HD3 LYS 78 2HD LYS 78 7.882 3.290 -12.132 567 HE2 LYS 78 1HE LYS 78 8.687 5.048 -13.766 568 HE3 LYS 78 2HE LYS 78 9.628 3.771 -14.536 569 HZ1 LYS 78 3HZ LYS 78 6.844 3.130 -14.093 570 HZ2 LYS 78 1HZ LYS 78 7.810 2.878 -15.459 571 HZ3 LYS 78 2HZ LYS 78 7.107 4.392 -15.188 572 H TYR 79 H TYR 79 8.491 5.964 -8.542 573 HA TYR 79 HA TYR 79 7.525 8.536 -8.766 574 HB2 TYR 79 1HB TYR 79 6.515 6.631 -7.450 575 HB3 TYR 79 2HB TYR 79 7.658 7.004 -6.165 576 HD1 TYR 79 1HD TYR 79 4.976 8.570 -8.228 577 HD2 TYR 79 2HD TYR 79 7.089 8.563 -4.534 578 HE1 TYR 79 1HE TYR 79 3.416 10.250 -7.339 579 HE2 TYR 79 2HE TYR 79 5.533 10.242 -3.635 580 HH TYR 79 HH TYR 79 3.970 12.123 -4.821 581 H ASP 80 H ASP 80 10.029 7.346 -6.542 582 HA ASP 80 HA ASP 80 10.560 9.572 -5.062 583 HB2 ASP 80 1HB ASP 80 12.292 7.382 -6.120 584 HB3 ASP 80 2HB ASP 80 13.065 8.755 -5.333 585 H ARG 81 H ARG 81 11.710 8.897 -8.342 586 HA ARG 81 HA ARG 81 12.969 11.526 -8.479 587 HB2 ARG 81 1HB ARG 81 12.883 9.625 -10.786 588 HB3 ARG 81 2HB ARG 81 14.138 10.770 -10.331 589 HG2 ARG 81 1HG ARG 81 13.508 8.284 -8.760 590 HG3 ARG 81 2HG ARG 81 14.732 8.362 -10.030 591 HD2 ARG 81 1HD ARG 81 14.675 10.044 -7.526 592 HD3 ARG 81 2HD ARG 81 15.713 8.646 -7.803 593 HE ARG 81 HE ARG 81 16.119 11.305 -8.763 594 HH11 ARG 81 1HH1 ARG 81 16.680 7.941 -9.465 595 HH12 ARG 81 2HH1 ARG 81 18.080 8.244 -10.440 596 HH21 ARG 81 1HH2 ARG 81 17.961 11.716 -10.044 597 HH22 ARG 81 2HH2 ARG 81 18.809 10.391 -10.768 598 H GLY 82 H GLY 82 10.017 10.045 -9.228 599 HA2 GLY 82 1HA GLY 82 8.108 11.188 -9.980 600 HA3 GLY 82 2HA GLY 82 9.145 12.452 -10.625 601 H LEU 83 H LEU 83 10.057 9.242 -11.388 602 HA LEU 83 HA LEU 83 9.590 9.709 -14.182 603 HB2 LEU 83 1HB LEU 83 10.562 7.236 -12.759 604 HB3 LEU 83 2HB LEU 83 10.611 7.509 -14.499 605 HG LEU 83 HG LEU 83 12.025 9.435 -12.720 606 HD11 LEU 83 1HD1 LEU 83 13.227 7.812 -11.773 607 HD12 LEU 83 2HD1 LEU 83 13.969 7.606 -13.359 608 HD13 LEU 83 3HD1 LEU 83 12.612 6.586 -12.882 609 HD21 LEU 83 3HD2 LEU 83 12.190 10.085 -14.920 610 HD22 LEU 83 1HD2 LEU 83 12.220 8.428 -15.522 611 HD23 LEU 83 2HD2 LEU 83 13.649 9.108 -14.743 612 H LEU 84 H LEU 84 7.704 8.527 -11.680 613 HA LEU 84 HA LEU 84 6.218 6.589 -13.222 614 HB2 LEU 84 1HB LEU 84 6.578 6.421 -10.758 615 HB3 LEU 84 2HB LEU 84 5.524 7.819 -10.560 616 HG LEU 84 HG LEU 84 3.834 6.273 -11.894 617 HD11 LEU 84 1HD1 LEU 84 4.245 4.075 -11.932 618 HD12 LEU 84 2HD1 LEU 84 4.952 4.079 -10.317 619 HD13 LEU 84 3HD1 LEU 84 5.932 4.540 -11.708 620 HD21 LEU 84 3HD2 LEU 84 2.724 6.118 -9.934 621 HD22 LEU 84 1HD2 LEU 84 4.013 7.182 -9.369 622 HD23 LEU 84 2HD2 LEU 84 4.110 5.445 -9.075 623 H SER 85 H SER 85 4.077 6.799 -13.920 624 HA SER 85 HA SER 85 3.044 9.556 -14.025 625 HB2 SER 85 1HB SER 85 4.083 8.619 -16.200 626 HB3 SER 85 2HB SER 85 2.647 7.597 -16.278 627 HG SER 85 HG SER 85 2.819 9.993 -17.182 628 H ASP 86 H ASP 86 0.721 9.721 -14.332 629 HA ASP 86 HA ASP 86 -0.785 8.318 -12.534 630 HB2 ASP 86 1HB ASP 86 -1.807 9.485 -15.132 631 HB3 ASP 86 2HB ASP 86 -2.768 9.148 -13.696 632 H GLU 87 H GLU 87 -0.097 7.474 -15.874 633 HA GLU 87 HA GLU 87 -1.909 5.563 -16.489 634 HB2 GLU 87 1HB GLU 87 0.061 6.240 -17.880 635 HB3 GLU 87 2HB GLU 87 1.064 5.195 -16.883 636 HG2 GLU 87 1HG GLU 87 0.640 3.775 -18.596 637 HG3 GLU 87 2HG GLU 87 -0.741 3.397 -17.568 638 H ASP 88 H ASP 88 0.676 5.289 -14.139 639 HA ASP 88 HA ASP 88 0.359 2.475 -13.717 640 HB2 ASP 88 1HB ASP 88 2.442 3.878 -13.234 641 HB3 ASP 88 2HB ASP 88 1.608 4.419 -11.780 642 H LEU 89 H LEU 89 -0.461 5.333 -11.746 643 HA LEU 89 HA LEU 89 -1.725 4.134 -9.642 644 HB2 LEU 89 1HB LEU 89 -2.466 6.674 -11.079 645 HB3 LEU 89 2HB LEU 89 -3.157 6.188 -9.532 646 HG LEU 89 HG LEU 89 -0.212 6.655 -9.971 647 HD11 LEU 89 1HD1 LEU 89 -1.177 8.695 -8.384 648 HD12 LEU 89 2HD1 LEU 89 -2.388 8.549 -9.656 649 HD13 LEU 89 3HD1 LEU 89 -0.698 8.825 -10.076 650 HD21 LEU 89 3HD2 LEU 89 0.032 6.451 -7.679 651 HD22 LEU 89 1HD2 LEU 89 -1.163 5.206 -8.043 652 HD23 LEU 89 2HD2 LEU 89 -1.678 6.750 -7.365 653 H ARG 90 H ARG 90 -3.234 5.068 -12.727 654 HA ARG 90 HA ARG 90 -5.763 3.919 -12.044 655 HB2 ARG 90 1HB ARG 90 -6.412 4.443 -14.314 656 HB3 ARG 90 2HB ARG 90 -5.517 5.798 -13.639 657 HG2 ARG 90 1HG ARG 90 -3.720 5.481 -15.019 658 HG3 ARG 90 2HG ARG 90 -4.038 3.757 -15.217 659 HD2 ARG 90 1HD ARG 90 -4.520 4.886 -17.286 660 HD3 ARG 90 2HD ARG 90 -6.031 4.327 -16.571 661 HE ARG 90 HE ARG 90 -5.617 6.946 -15.722 662 HH11 ARG 90 1HH1 ARG 90 -6.203 5.219 -18.688 663 HH12 ARG 90 2HH1 ARG 90 -7.012 6.546 -19.453 664 HH21 ARG 90 1HH2 ARG 90 -6.680 8.701 -16.719 665 HH22 ARG 90 2HH2 ARG 90 -7.282 8.527 -18.332 666 H GLY 91 H GLY 91 -2.841 2.759 -13.501 667 HA2 GLY 91 1HA GLY 91 -2.242 0.716 -14.366 668 HA3 GLY 91 2HA GLY 91 -3.410 0.072 -13.221 669 HA PRO 92 HA PRO 92 -4.855 -1.150 -17.419 670 HB2 PRO 92 1HB PRO 92 -5.659 -3.628 -16.657 671 HB3 PRO 92 2HB PRO 92 -3.996 -3.260 -17.126 672 HG2 PRO 92 1HG PRO 92 -5.181 -3.506 -14.388 673 HG3 PRO 92 2HG PRO 92 -3.634 -4.124 -14.998 674 HD2 PRO 92 1HD PRO 92 -3.818 -1.864 -13.518 675 HD3 PRO 92 2HD PRO 92 -2.588 -2.082 -14.780 676 H GLY 93 H GLY 93 -7.064 -2.363 -17.873 677 HA2 GLY 93 1HA GLY 93 -9.257 -2.577 -16.421 678 HA3 GLY 93 2HA GLY 93 -9.083 -0.828 -16.417 679 H SER 94 H SER 94 -11.364 -1.772 -17.417 680 HA SER 94 HA SER 94 -11.386 -2.450 -20.143 681 HB2 SER 94 1HB SER 94 -13.479 -1.073 -18.445 682 HB3 SER 94 2HB SER 94 -13.767 -1.667 -20.081 683 HG SER 94 HG SER 94 -14.178 -3.052 -18.036 684 H GLY 95 H GLY 95 -10.148 -1.189 -21.457 685 HA2 GLY 95 1HA GLY 95 -10.847 1.681 -21.567 686 HA3 GLY 95 2HA GLY 95 -9.249 1.052 -21.943 687 HA PRO 96 HA PRO 96 -11.424 1.643 -25.959 688 HB2 PRO 96 1HB PRO 96 -9.231 2.583 -27.255 689 HB3 PRO 96 2HB PRO 96 -10.302 3.618 -26.304 690 HG2 PRO 96 1HG PRO 96 -7.671 2.409 -25.544 691 HG3 PRO 96 2HG PRO 96 -8.277 4.048 -25.245 692 HD2 PRO 96 1HD PRO 96 -8.301 2.117 -23.347 693 HD3 PRO 96 2HD PRO 96 -9.539 3.387 -23.433 694 H SER 97 H SER 97 -11.504 0.150 -27.543 695 HA SER 97 HA SER 97 -9.295 -1.795 -27.698 696 HB2 SER 97 1HB SER 97 -10.920 -3.498 -28.287 697 HB3 SER 97 2HB SER 97 -11.424 -2.719 -26.787 698 HG SER 97 HG SER 97 -12.734 -2.887 -29.126 699 H SER 98 H SER 98 -8.601 -2.485 -29.708 700 HA SER 98 HA SER 98 -8.597 -0.658 -31.793 701 HB2 SER 98 1HB SER 98 -7.885 -3.549 -31.557 702 HB3 SER 98 2HB SER 98 -7.980 -2.842 -33.169 703 HG SER 98 HG SER 98 -6.155 -1.883 -32.805 704 H GLY 99 H GLY 99 -9.300 -1.318 -34.120 705 HA2 GLY 99 1HA GLY 99 -10.975 -2.200 -35.546 706 HA3 GLY 99 2HA GLY 99 -11.957 -2.554 -34.132 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 10.770 16.807 1.749 2 HA2 GLY 1 1HA GLY 1 11.168 15.936 -0.350 3 HA3 GLY 1 2HA GLY 1 9.596 16.638 -0.704 4 H SER 2 H SER 2 9.456 18.426 -1.982 5 HA SER 2 HA SER 2 11.994 19.595 -2.914 6 HB2 SER 2 1HB SER 2 11.302 19.536 -5.162 7 HB3 SER 2 2HB SER 2 10.812 17.964 -4.531 8 HG SER 2 HG SER 2 9.240 20.190 -5.199 9 H SER 3 H SER 3 11.409 21.663 -4.295 10 HA SER 3 HA SER 3 10.661 23.680 -2.651 11 HB2 SER 3 1HB SER 3 10.383 23.426 -5.640 12 HB3 SER 3 2HB SER 3 9.949 24.915 -4.800 13 HG SER 3 HG SER 3 12.003 25.327 -5.029 14 H GLY 4 H GLY 4 8.831 24.596 -1.886 15 HA2 GLY 4 1HA GLY 4 6.252 23.725 -2.986 16 HA3 GLY 4 2HA GLY 4 6.561 23.475 -1.274 17 H SER 5 H SER 5 4.411 24.918 -1.830 18 HA SER 5 HA SER 5 4.730 27.666 -2.245 19 HB2 SER 5 1HB SER 5 2.531 26.815 -2.422 20 HB3 SER 5 2HB SER 5 2.608 26.055 -0.833 21 HG SER 5 HG SER 5 1.491 28.259 -1.238 22 H SER 6 H SER 6 4.420 29.406 -0.661 23 HA SER 6 HA SER 6 5.908 28.824 1.807 24 HB2 SER 6 1HB SER 6 6.738 30.550 0.067 25 HB3 SER 6 2HB SER 6 5.452 31.583 0.692 26 HG SER 6 HG SER 6 6.413 31.238 2.800 27 H GLY 7 H GLY 7 4.500 28.404 3.402 28 HA2 GLY 7 1HA GLY 7 2.401 30.417 3.899 29 HA3 GLY 7 2HA GLY 7 2.037 28.700 3.996 30 H SER 8 H SER 8 2.045 27.878 5.970 31 HA SER 8 HA SER 8 4.094 28.489 7.875 32 HB2 SER 8 1HB SER 8 2.494 30.450 8.060 33 HB3 SER 8 2HB SER 8 1.288 29.305 8.645 34 HG SER 8 HG SER 8 3.760 30.005 9.832 35 H GLN 9 H GLN 9 3.901 27.209 9.835 36 HA GLN 9 HA GLN 9 3.521 25.260 10.945 37 HB2 GLN 9 1HB GLN 9 1.192 26.219 10.998 38 HB3 GLN 9 2HB GLN 9 0.827 25.243 9.581 39 HG2 GLN 9 1HG GLN 9 0.046 23.887 11.237 40 HG3 GLN 9 2HG GLN 9 1.696 23.285 11.082 41 HE21 GLN 9 1HE2 GLN 9 -0.329 25.512 12.921 42 HE22 GLN 9 2HE2 GLN 9 0.566 25.393 14.394 43 H GLY 10 H GLY 10 5.019 24.974 8.706 44 HA2 GLY 10 1HA GLY 10 5.716 23.477 7.105 45 HA3 GLY 10 2HA GLY 10 5.007 22.277 8.176 46 H ASP 11 H ASP 11 4.281 24.479 5.507 47 HA ASP 11 HA ASP 11 1.747 23.257 4.942 48 HB2 ASP 11 1HB ASP 11 3.294 24.955 3.000 49 HB3 ASP 11 2HB ASP 11 1.549 24.806 3.185 50 H CYS 12 H CYS 12 1.257 22.288 2.805 51 HA CYS 12 HA CYS 12 3.501 20.901 1.552 52 HB2 CYS 12 1HB CYS 12 1.076 19.480 2.671 53 HB3 CYS 12 2HB CYS 12 2.314 18.732 1.669 54 HG CYS 12 HG CYS 12 3.125 17.793 4.003 55 H SER 13 H SER 13 3.104 20.201 -0.567 56 HA SER 13 HA SER 13 0.840 21.553 -1.835 57 HB2 SER 13 1HB SER 13 2.095 21.647 -3.788 58 HB3 SER 13 2HB SER 13 3.355 21.745 -2.559 59 HG SER 13 HG SER 13 3.836 19.608 -2.892 60 H TYR 14 H TYR 14 2.546 18.433 -2.133 61 HA TYR 14 HA TYR 14 -0.041 17.117 -2.508 62 HB2 TYR 14 1HB TYR 14 1.200 15.707 -4.328 63 HB3 TYR 14 2HB TYR 14 0.501 17.265 -4.757 64 HD1 TYR 14 2HD TYR 14 3.726 15.895 -3.445 65 HD2 TYR 14 1HD TYR 14 1.804 18.688 -6.015 66 HE1 TYR 14 2HE TYR 14 5.922 16.649 -4.257 67 HE2 TYR 14 1HE TYR 14 3.994 19.449 -6.836 68 HH TYR 14 HH TYR 14 6.724 17.819 -6.570 69 H SER 15 H SER 15 0.184 14.702 -2.405 70 HA SER 15 HA SER 15 1.854 14.032 -0.143 71 HB2 SER 15 1HB SER 15 0.689 11.738 -0.502 72 HB3 SER 15 2HB SER 15 -0.287 13.102 0.044 73 HG SER 15 HG SER 15 -1.286 13.162 -1.835 74 H ARG 16 H ARG 16 3.801 13.147 -0.263 75 HA ARG 16 HA ARG 16 4.539 11.701 -2.722 76 HB2 ARG 16 1HB ARG 16 6.891 12.491 -2.253 77 HB3 ARG 16 2HB ARG 16 5.761 13.740 -2.759 78 HG2 ARG 16 1HG ARG 16 6.129 13.276 0.152 79 HG3 ARG 16 2HG ARG 16 7.410 14.100 -0.740 80 HD2 ARG 16 1HD ARG 16 4.585 14.984 -1.100 81 HD3 ARG 16 2HD ARG 16 5.448 15.451 0.364 82 HE ARG 16 HE ARG 16 7.069 16.036 -1.838 83 HH11 ARG 16 1HH1 ARG 16 4.068 17.069 -0.408 84 HH12 ARG 16 2HH1 ARG 16 4.192 18.691 -1.002 85 HH21 ARG 16 1HH2 ARG 16 7.244 18.169 -2.627 86 HH22 ARG 16 2HH2 ARG 16 5.999 19.316 -2.265 87 H THR 17 H THR 17 4.652 11.858 0.753 88 HA THR 17 HA THR 17 5.898 9.185 0.801 89 HB THR 17 HB THR 17 7.304 10.981 1.832 90 HG1 THR 17 1HG THR 17 7.639 8.912 2.584 91 HG21 THR 17 3HG2 THR 17 5.582 12.401 2.757 92 HG22 THR 17 1HG2 THR 17 6.607 11.813 4.066 93 HG23 THR 17 2HG2 THR 17 5.017 11.097 3.800 94 H ALA 18 H ALA 18 3.029 10.643 1.046 95 HA ALA 18 HA ALA 18 1.854 9.892 3.432 96 HB1 ALA 18 3HB ALA 18 0.815 11.261 1.608 97 HB2 ALA 18 1HB ALA 18 0.482 9.753 0.755 98 HB3 ALA 18 2HB ALA 18 -0.250 10.056 2.331 99 H LEU 19 H LEU 19 2.128 7.985 0.440 100 HA LEU 19 HA LEU 19 0.771 5.712 1.263 101 HB2 LEU 19 1HB LEU 19 3.241 5.505 -0.410 102 HB3 LEU 19 2HB LEU 19 1.728 4.610 -0.544 103 HG LEU 19 HG LEU 19 2.259 7.452 -1.395 104 HD11 LEU 19 1HD1 LEU 19 2.780 5.190 -2.748 105 HD12 LEU 19 2HD1 LEU 19 2.288 6.697 -3.519 106 HD13 LEU 19 3HD1 LEU 19 1.095 5.438 -3.205 107 HD21 LEU 19 3HD2 LEU 19 0.074 7.440 -0.431 108 HD22 LEU 19 1HD2 LEU 19 -0.333 5.924 -1.237 109 HD23 LEU 19 2HD2 LEU 19 -0.112 7.395 -2.185 110 H TYR 20 H TYR 20 3.679 6.976 2.448 111 HA TYR 20 HA TYR 20 4.606 4.395 3.465 112 HB2 TYR 20 1HB TYR 20 5.891 7.122 3.711 113 HB3 TYR 20 2HB TYR 20 6.623 5.581 4.145 114 HD1 TYR 20 2HD TYR 20 5.155 7.377 1.223 115 HD2 TYR 20 1HD TYR 20 7.945 4.472 2.593 116 HE1 TYR 20 2HE TYR 20 6.046 7.165 -1.059 117 HE2 TYR 20 1HE TYR 20 8.845 4.253 0.314 118 HH TYR 20 HH TYR 20 7.274 5.536 -2.413 119 H ASP 21 H ASP 21 2.861 7.173 4.436 120 HA ASP 21 HA ASP 21 3.359 6.807 7.269 121 HB2 ASP 21 1HB ASP 21 3.076 9.075 6.503 122 HB3 ASP 21 2HB ASP 21 1.532 8.678 5.753 123 H LEU 22 H LEU 22 0.959 5.955 4.893 124 HA LEU 22 HA LEU 22 -1.177 5.344 6.620 125 HB2 LEU 22 1HB LEU 22 -0.412 4.628 3.843 126 HB3 LEU 22 2HB LEU 22 -1.646 3.645 4.629 127 HG LEU 22 HG LEU 22 -2.686 6.049 5.116 128 HD11 LEU 22 1HD1 LEU 22 -1.018 6.406 2.635 129 HD12 LEU 22 2HD1 LEU 22 -0.984 7.373 4.110 130 HD13 LEU 22 3HD1 LEU 22 -2.393 7.431 3.050 131 HD21 LEU 22 3HD2 LEU 22 -3.021 4.904 2.369 132 HD22 LEU 22 1HD2 LEU 22 -4.235 5.592 3.448 133 HD23 LEU 22 2HD2 LEU 22 -3.546 4.005 3.793 134 H LEU 23 H LEU 23 1.495 3.371 5.390 135 HA LEU 23 HA LEU 23 0.600 0.999 6.741 136 HB2 LEU 23 1HB LEU 23 2.919 1.775 5.063 137 HB3 LEU 23 2HB LEU 23 3.126 0.399 6.145 138 HG LEU 23 HG LEU 23 1.378 -0.812 5.046 139 HD11 LEU 23 1HD1 LEU 23 0.864 1.782 3.626 140 HD12 LEU 23 2HD1 LEU 23 -0.256 0.803 4.572 141 HD13 LEU 23 3HD1 LEU 23 0.296 0.235 2.997 142 HD21 LEU 23 3HD2 LEU 23 2.312 -1.053 2.822 143 HD22 LEU 23 1HD2 LEU 23 3.605 -0.849 4.004 144 HD23 LEU 23 2HD2 LEU 23 3.132 0.502 2.973 145 H GLY 24 H GLY 24 3.253 3.324 7.216 146 HA2 GLY 24 1HA GLY 24 3.599 4.029 9.570 147 HA3 GLY 24 2HA GLY 24 3.469 2.328 9.991 148 H VAL 25 H VAL 25 5.204 3.597 7.205 149 HA VAL 25 HA VAL 25 7.749 2.950 8.530 150 HB VAL 25 HB VAL 25 8.580 1.978 6.407 151 HG11 VAL 25 1HG1 VAL 25 7.760 -0.147 6.823 152 HG12 VAL 25 2HG1 VAL 25 7.440 0.685 8.346 153 HG13 VAL 25 3HG1 VAL 25 6.136 0.438 7.183 154 HG21 VAL 25 3HG2 VAL 25 6.018 2.927 5.459 155 HG22 VAL 25 1HG2 VAL 25 7.434 2.404 4.547 156 HG23 VAL 25 2HG2 VAL 25 6.250 1.217 5.094 157 HA PRO 26 HA PRO 26 9.148 6.820 6.985 158 HB2 PRO 26 1HB PRO 26 11.813 6.333 6.814 159 HB3 PRO 26 2HB PRO 26 10.973 6.551 8.354 160 HG2 PRO 26 1HG PRO 26 11.792 4.018 6.986 161 HG3 PRO 26 2HG PRO 26 11.915 4.454 8.700 162 HD2 PRO 26 1HD PRO 26 9.941 2.870 7.738 163 HD3 PRO 26 2HD PRO 26 9.700 3.967 9.113 164 H SER 27 H SER 27 10.690 7.716 5.237 165 HA SER 27 HA SER 27 9.891 6.545 2.728 166 HB2 SER 27 1HB SER 27 9.853 8.971 2.978 167 HB3 SER 27 2HB SER 27 11.579 8.984 3.338 168 HG SER 27 HG SER 27 10.671 7.841 0.940 169 H THR 28 H THR 28 12.159 5.588 4.739 170 HA THR 28 HA THR 28 14.154 5.056 2.635 171 HB THR 28 HB THR 28 14.889 6.396 4.690 172 HG1 THR 28 1HG THR 28 16.880 5.174 4.759 173 HG21 THR 28 3HG2 THR 28 13.654 4.455 6.111 174 HG22 THR 28 1HG2 THR 28 14.948 5.466 6.752 175 HG23 THR 28 2HG2 THR 28 15.312 3.856 6.129 176 H ALA 29 H ALA 29 11.709 3.673 4.392 177 HA ALA 29 HA ALA 29 12.724 1.177 5.152 178 HB1 ALA 29 3HB ALA 29 9.983 2.141 4.425 179 HB2 ALA 29 1HB ALA 29 10.281 0.443 4.797 180 HB3 ALA 29 2HB ALA 29 10.621 1.684 6.004 181 H THR 30 H THR 30 12.326 -0.918 4.138 182 HA THR 30 HA THR 30 12.524 -0.760 1.200 183 HB THR 30 HB THR 30 13.939 -2.707 1.212 184 HG1 THR 30 1HG THR 30 14.529 -3.679 3.224 185 HG21 THR 30 3HG2 THR 30 15.041 -1.015 3.433 186 HG22 THR 30 1HG2 THR 30 14.871 -0.376 1.799 187 HG23 THR 30 2HG2 THR 30 15.896 -1.780 2.095 188 H GLN 31 H GLN 31 12.082 -3.110 0.269 189 HA GLN 31 HA GLN 31 9.386 -3.591 0.378 190 HB2 GLN 31 1HB GLN 31 11.557 -5.619 -0.181 191 HB3 GLN 31 2HB GLN 31 9.863 -5.795 -0.617 192 HG2 GLN 31 1HG GLN 31 11.508 -3.490 -1.595 193 HG3 GLN 31 2HG GLN 31 11.495 -5.045 -2.426 194 HE21 GLN 31 1HE2 GLN 31 9.362 -5.867 -3.076 195 HE22 GLN 31 2HE2 GLN 31 8.167 -4.731 -3.592 196 H ALA 32 H ALA 32 11.925 -5.151 2.295 197 HA ALA 32 HA ALA 32 10.427 -7.078 3.595 198 HB1 ALA 32 3HB ALA 32 12.910 -5.593 4.223 199 HB2 ALA 32 1HB ALA 32 12.129 -6.455 5.549 200 HB3 ALA 32 2HB ALA 32 12.625 -7.329 4.099 201 H GLN 33 H GLN 33 10.910 -3.678 4.495 202 HA GLN 33 HA GLN 33 9.190 -3.904 6.797 203 HB2 GLN 33 1HB GLN 33 10.390 -1.466 5.470 204 HB3 GLN 33 2HB GLN 33 9.553 -1.473 7.017 205 HG2 GLN 33 1HG GLN 33 11.335 -3.224 7.693 206 HG3 GLN 33 2HG GLN 33 12.230 -2.590 6.313 207 HE21 GLN 33 1HE2 GLN 33 13.034 -0.507 6.381 208 HE22 GLN 33 2HE2 GLN 33 13.126 0.406 7.845 209 H ILE 34 H ILE 34 9.030 -1.873 3.864 210 HA ILE 34 HA ILE 34 6.508 -0.889 4.075 211 HB ILE 34 HB ILE 34 7.979 -1.820 1.622 212 HG12 ILE 34 1HG1 ILE 34 7.243 0.973 2.500 213 HG13 ILE 34 2HG1 ILE 34 8.738 0.184 2.991 214 HG21 ILE 34 1HG2 ILE 34 5.232 -0.651 1.844 215 HG22 ILE 34 2HG2 ILE 34 6.227 -0.358 0.420 216 HG23 ILE 34 3HG2 ILE 34 5.790 -2.007 0.865 217 HD11 ILE 34 3HD1 ILE 34 9.406 1.425 1.178 218 HD12 ILE 34 1HD1 ILE 34 9.092 -0.147 0.445 219 HD13 ILE 34 2HD1 ILE 34 7.903 1.148 0.298 220 H LYS 35 H LYS 35 7.394 -4.177 3.533 221 HA LYS 35 HA LYS 35 4.751 -4.959 2.622 222 HB2 LYS 35 1HB LYS 35 6.823 -6.046 1.753 223 HB3 LYS 35 2HB LYS 35 7.107 -6.704 3.359 224 HG2 LYS 35 1HG LYS 35 4.975 -7.917 3.221 225 HG3 LYS 35 2HG LYS 35 4.745 -7.291 1.586 226 HD2 LYS 35 1HD LYS 35 7.108 -8.332 1.171 227 HD3 LYS 35 2HD LYS 35 6.713 -9.301 2.593 228 HE2 LYS 35 1HE LYS 35 4.562 -9.914 1.441 229 HE3 LYS 35 2HE LYS 35 5.201 -9.138 -0.007 230 HZ1 LYS 35 3HZ LYS 35 7.186 -10.695 0.345 231 HZ2 LYS 35 1HZ LYS 35 5.758 -11.353 -0.281 232 HZ3 LYS 35 2HZ LYS 35 6.150 -11.578 1.349 233 H ALA 36 H ALA 36 6.852 -5.822 5.376 234 HA ALA 36 HA ALA 36 5.149 -7.320 6.877 235 HB1 ALA 36 3HB ALA 36 6.944 -7.230 8.179 236 HB2 ALA 36 1HB ALA 36 7.507 -5.761 7.380 237 HB3 ALA 36 2HB ALA 36 6.399 -5.652 8.748 238 H ALA 37 H ALA 37 5.124 -3.821 6.519 239 HA ALA 37 HA ALA 37 3.244 -3.281 8.569 240 HB1 ALA 37 3HB ALA 37 3.906 -1.674 6.103 241 HB2 ALA 37 1HB ALA 37 3.008 -1.089 7.504 242 HB3 ALA 37 2HB ALA 37 4.703 -1.550 7.672 243 H TYR 38 H TYR 38 2.844 -3.402 5.024 244 HA TYR 38 HA TYR 38 0.123 -3.029 4.878 245 HB2 TYR 38 1HB TYR 38 1.334 -3.075 2.846 246 HB3 TYR 38 2HB TYR 38 1.985 -4.677 3.175 247 HD1 TYR 38 1HD TYR 38 -1.237 -2.915 2.529 248 HD2 TYR 38 2HD TYR 38 0.958 -6.549 2.252 249 HE1 TYR 38 1HE TYR 38 -3.073 -3.918 1.237 250 HE2 TYR 38 2HE TYR 38 -0.871 -7.562 0.958 251 HH TYR 38 HH TYR 38 -3.878 -6.470 0.861 252 H TYR 39 H TYR 39 1.803 -5.675 6.218 253 HA TYR 39 HA TYR 39 -0.413 -7.534 5.947 254 HB2 TYR 39 1HB TYR 39 2.395 -7.688 6.919 255 HB3 TYR 39 2HB TYR 39 1.242 -8.833 7.597 256 HD1 TYR 39 2HD TYR 39 2.083 -7.462 4.216 257 HD2 TYR 39 1HD TYR 39 1.181 -10.889 6.570 258 HE1 TYR 39 2HE TYR 39 2.340 -8.887 2.228 259 HE2 TYR 39 1HE TYR 39 1.436 -12.324 4.590 260 HH TYR 39 HH TYR 39 2.895 -11.941 2.216 261 H ARG 40 H ARG 40 1.046 -5.459 8.364 262 HA ARG 40 HA ARG 40 -0.743 -6.464 10.438 263 HB2 ARG 40 1HB ARG 40 0.499 -4.786 11.873 264 HB3 ARG 40 2HB ARG 40 1.466 -6.100 11.218 265 HG2 ARG 40 1HG ARG 40 2.634 -4.728 9.814 266 HG3 ARG 40 2HG ARG 40 1.322 -3.554 9.692 267 HD2 ARG 40 1HD ARG 40 2.706 -3.965 12.307 268 HD3 ARG 40 2HD ARG 40 3.478 -2.990 11.057 269 HE ARG 40 HE ARG 40 0.778 -2.197 11.512 270 HH11 ARG 40 1HH1 ARG 40 4.021 -1.935 12.750 271 HH12 ARG 40 2HH1 ARG 40 3.739 -0.415 13.532 272 HH21 ARG 40 1HH2 ARG 40 0.394 -0.196 12.537 273 HH22 ARG 40 2HH2 ARG 40 1.676 0.573 13.411 274 H GLN 41 H GLN 41 -1.618 -4.880 8.033 275 HA GLN 41 HA GLN 41 -2.918 -2.668 9.482 276 HB2 GLN 41 1HB GLN 41 -1.988 -2.847 6.622 277 HB3 GLN 41 2HB GLN 41 -3.162 -1.648 7.148 278 HG2 GLN 41 1HG GLN 41 -0.290 -1.926 7.954 279 HG3 GLN 41 2HG GLN 41 -1.091 -0.558 7.183 280 HE21 GLN 41 1HE2 GLN 41 0.430 -1.080 9.802 281 HE22 GLN 41 2HE2 GLN 41 -0.557 -0.309 10.992 282 H CYS 42 H CYS 42 -3.320 -5.017 6.848 283 HA CYS 42 HA CYS 42 -6.038 -4.606 6.374 284 HB2 CYS 42 1HB CYS 42 -4.287 -6.059 5.101 285 HB3 CYS 42 2HB CYS 42 -4.811 -7.340 6.188 286 HG CYS 42 HG CYS 42 -7.564 -6.985 5.373 287 H PHE 43 H PHE 43 -4.400 -6.615 8.759 288 HA PHE 43 HA PHE 43 -6.724 -7.959 9.681 289 HB2 PHE 43 1HB PHE 43 -4.513 -8.879 10.097 290 HB3 PHE 43 2HB PHE 43 -4.066 -7.459 11.036 291 HD1 PHE 43 1HD PHE 43 -5.373 -6.990 13.170 292 HD2 PHE 43 2HD PHE 43 -5.503 -10.717 11.120 293 HE1 PHE 43 1HE PHE 43 -6.195 -8.082 15.216 294 HE2 PHE 43 2HE PHE 43 -6.326 -11.816 13.161 295 HZ PHE 43 HZ PHE 43 -6.674 -10.498 15.213 296 H LEU 44 H LEU 44 -5.004 -5.059 10.759 297 HA LEU 44 HA LEU 44 -6.454 -4.556 13.088 298 HB2 LEU 44 1HB LEU 44 -4.884 -2.883 11.192 299 HB3 LEU 44 2HB LEU 44 -5.876 -2.076 12.404 300 HG LEU 44 HG LEU 44 -3.869 -4.162 13.190 301 HD11 LEU 44 1HD1 LEU 44 -3.084 -1.326 13.374 302 HD12 LEU 44 2HD1 LEU 44 -3.052 -2.040 11.763 303 HD13 LEU 44 3HD1 LEU 44 -2.107 -2.761 13.065 304 HD21 LEU 44 3HD2 LEU 44 -5.326 -1.919 14.550 305 HD22 LEU 44 1HD2 LEU 44 -3.866 -2.628 15.240 306 HD23 LEU 44 2HD2 LEU 44 -5.290 -3.633 14.968 307 H TYR 45 H TYR 45 -7.080 -3.561 9.746 308 HA TYR 45 HA TYR 45 -9.708 -2.547 10.593 309 HB2 TYR 45 1HB TYR 45 -8.034 -1.958 8.150 310 HB3 TYR 45 2HB TYR 45 -9.706 -1.437 8.318 311 HD1 TYR 45 2HD TYR 45 -6.602 -1.370 10.412 312 HD2 TYR 45 1HD TYR 45 -9.976 0.761 8.936 313 HE1 TYR 45 2HE TYR 45 -5.848 0.642 11.609 314 HE2 TYR 45 1HE TYR 45 -9.231 2.779 10.128 315 HH TYR 45 HH TYR 45 -6.651 3.559 10.989 316 H HIS 46 H HIS 46 -9.299 -5.324 10.383 317 HA HIS 46 HA HIS 46 -9.951 -6.499 7.956 318 HB2 HIS 46 1HB HIS 46 -9.387 -7.508 10.342 319 HB3 HIS 46 2HB HIS 46 -11.141 -7.619 10.455 320 HD2 HIS 46 2HD HIS 46 -8.514 -8.775 7.708 321 HE1 HIS 46 1HE HIS 46 -11.507 -11.742 8.193 322 HE2 HIS 46 2HE HIS 46 -9.347 -11.133 7.049 323 HA PRO 47 HA PRO 47 -14.087 -5.211 7.151 324 HB2 PRO 47 1HB PRO 47 -14.803 -7.189 5.436 325 HB3 PRO 47 2HB PRO 47 -13.707 -5.878 4.986 326 HG2 PRO 47 1HG PRO 47 -13.065 -8.679 5.822 327 HG3 PRO 47 2HG PRO 47 -12.358 -7.713 4.514 328 HD2 PRO 47 1HD PRO 47 -11.134 -8.044 6.907 329 HD3 PRO 47 2HD PRO 47 -10.971 -6.558 5.948 330 H ASP 48 H ASP 48 -13.305 -8.310 8.490 331 HA ASP 48 HA ASP 48 -15.984 -9.212 8.890 332 HB2 ASP 48 1HB ASP 48 -14.168 -10.818 8.815 333 HB3 ASP 48 2HB ASP 48 -13.385 -10.046 10.192 334 H ARG 49 H ARG 49 -13.686 -7.337 10.763 335 HA ARG 49 HA ARG 49 -15.209 -7.401 13.186 336 HB2 ARG 49 1HB ARG 49 -12.846 -5.817 12.222 337 HB3 ARG 49 2HB ARG 49 -13.655 -5.390 13.724 338 HG2 ARG 49 1HG ARG 49 -12.579 -8.139 13.159 339 HG3 ARG 49 2HG ARG 49 -11.643 -6.870 13.952 340 HD2 ARG 49 1HD ARG 49 -14.348 -7.524 15.010 341 HD3 ARG 49 2HD ARG 49 -13.023 -8.639 15.340 342 HE ARG 49 HE ARG 49 -12.038 -6.183 16.014 343 HH11 ARG 49 1HH1 ARG 49 -14.818 -8.064 16.937 344 HH12 ARG 49 2HH1 ARG 49 -14.895 -7.405 18.538 345 HH21 ARG 49 1HH2 ARG 49 -12.128 -5.308 18.118 346 HH22 ARG 49 2HH2 ARG 49 -13.365 -5.837 19.209 347 H ASN 50 H ASN 50 -14.660 -4.938 10.675 348 HA ASN 50 HA ASN 50 -16.540 -3.107 11.824 349 HB2 ASN 50 1HB ASN 50 -15.105 -3.181 9.167 350 HB3 ASN 50 2HB ASN 50 -16.224 -1.896 9.613 351 HD21 ASN 50 1HD2 ASN 50 -13.152 -3.386 10.287 352 HD22 ASN 50 2HD2 ASN 50 -12.495 -2.079 11.206 353 H SER 51 H SER 51 -16.578 -5.398 9.132 354 HA SER 51 HA SER 51 -18.258 -6.156 7.786 355 HB2 SER 51 1HB SER 51 -18.860 -6.945 10.193 356 HB3 SER 51 2HB SER 51 -20.144 -5.741 10.090 357 HG SER 51 HG SER 51 -19.775 -8.088 8.589 358 H GLY 52 H GLY 52 -17.786 -3.498 7.337 359 HA2 GLY 52 1HA GLY 52 -19.102 -2.180 5.779 360 HA3 GLY 52 2HA GLY 52 -20.509 -2.506 6.780 361 H SER 53 H SER 53 -18.386 -0.172 5.939 362 HA SER 53 HA SER 53 -19.190 1.537 8.098 363 HB2 SER 53 1HB SER 53 -17.133 0.195 8.924 364 HB3 SER 53 2HB SER 53 -16.213 1.204 7.807 365 HG SER 53 HG SER 53 -17.359 1.841 10.222 366 H ALA 54 H ALA 54 -18.628 3.761 7.737 367 HA ALA 54 HA ALA 54 -18.389 4.367 4.911 368 HB1 ALA 54 3HB ALA 54 -20.017 5.439 6.626 369 HB2 ALA 54 1HB ALA 54 -18.632 6.450 7.042 370 HB3 ALA 54 2HB ALA 54 -19.264 6.452 5.394 371 H GLU 55 H GLU 55 -16.711 5.286 7.917 372 HA GLU 55 HA GLU 55 -14.597 6.605 6.475 373 HB2 GLU 55 1HB GLU 55 -14.887 5.897 9.399 374 HB3 GLU 55 2HB GLU 55 -13.565 6.844 8.732 375 HG2 GLU 55 1HG GLU 55 -16.476 7.601 8.634 376 HG3 GLU 55 2HG GLU 55 -15.285 8.242 9.765 377 H ALA 56 H ALA 56 -14.917 3.614 8.361 378 HA ALA 56 HA ALA 56 -12.273 2.738 8.158 379 HB1 ALA 56 3HB ALA 56 -13.000 0.902 9.226 380 HB2 ALA 56 1HB ALA 56 -14.513 1.798 9.368 381 HB3 ALA 56 2HB ALA 56 -14.303 0.621 8.071 382 H ALA 57 H ALA 57 -14.901 2.624 5.869 383 HA ALA 57 HA ALA 57 -13.791 0.673 4.129 384 HB1 ALA 57 3HB ALA 57 -15.998 0.895 3.662 385 HB2 ALA 57 1HB ALA 57 -16.012 2.624 4.009 386 HB3 ALA 57 2HB ALA 57 -15.377 2.037 2.471 387 H GLU 58 H GLU 58 -14.108 4.200 3.652 388 HA GLU 58 HA GLU 58 -12.480 4.415 1.427 389 HB2 GLU 58 1HB GLU 58 -12.218 6.782 2.021 390 HB3 GLU 58 2HB GLU 58 -13.881 6.248 2.222 391 HG2 GLU 58 1HG GLU 58 -13.624 6.134 4.599 392 HG3 GLU 58 2HG GLU 58 -11.897 6.462 4.471 393 H ARG 59 H ARG 59 -11.608 4.165 4.803 394 HA ARG 59 HA ARG 59 -8.849 4.863 4.392 395 HB2 ARG 59 1HB ARG 59 -9.877 5.293 6.548 396 HB3 ARG 59 2HB ARG 59 -10.268 3.589 6.736 397 HG2 ARG 59 1HG ARG 59 -8.123 3.009 7.263 398 HG3 ARG 59 2HG ARG 59 -7.421 4.350 6.356 399 HD2 ARG 59 1HD ARG 59 -8.889 4.546 8.984 400 HD3 ARG 59 2HD ARG 59 -7.147 4.681 8.754 401 HE ARG 59 HE ARG 59 -8.483 6.585 7.155 402 HH11 ARG 59 1HH1 ARG 59 -7.673 5.900 10.471 403 HH12 ARG 59 2HH1 ARG 59 -7.664 7.565 10.949 404 HH21 ARG 59 1HH2 ARG 59 -8.474 8.781 7.772 405 HH22 ARG 59 2HH2 ARG 59 -8.120 9.203 9.414 406 H PHE 60 H PHE 60 -10.754 1.942 4.424 407 HA PHE 60 HA PHE 60 -8.602 0.110 4.693 408 HB2 PHE 60 1HB PHE 60 -11.056 -0.382 5.084 409 HB3 PHE 60 2HB PHE 60 -11.245 -0.424 3.334 410 HD1 PHE 60 1HD PHE 60 -8.921 -1.859 5.883 411 HD2 PHE 60 2HD PHE 60 -11.276 -2.508 2.397 412 HE1 PHE 60 1HE PHE 60 -8.248 -4.226 5.873 413 HE2 PHE 60 2HE PHE 60 -10.608 -4.876 2.382 414 HZ PHE 60 HZ PHE 60 -9.092 -5.738 4.122 415 H THR 61 H THR 61 -10.377 1.355 1.882 416 HA THR 61 HA THR 61 -9.011 -0.123 -0.075 417 HB THR 61 HB THR 61 -11.156 1.342 -0.283 418 HG1 THR 61 1HG THR 61 -10.936 0.987 -2.386 419 HG21 THR 61 3HG2 THR 61 -10.010 3.452 0.349 420 HG22 THR 61 1HG2 THR 61 -10.808 3.542 -1.221 421 HG23 THR 61 2HG2 THR 61 -9.058 3.341 -1.131 422 H ARG 62 H ARG 62 -8.370 3.073 1.313 423 HA ARG 62 HA ARG 62 -6.293 3.869 -0.355 424 HB2 ARG 62 1HB ARG 62 -6.958 4.463 2.512 425 HB3 ARG 62 2HB ARG 62 -5.497 5.114 1.782 426 HG2 ARG 62 1HG ARG 62 -6.855 6.201 0.055 427 HG3 ARG 62 2HG ARG 62 -8.314 5.569 0.821 428 HD2 ARG 62 1HD ARG 62 -7.254 6.752 2.945 429 HD3 ARG 62 2HD ARG 62 -6.482 7.736 1.702 430 HE ARG 62 HE ARG 62 -9.342 7.426 1.421 431 HH11 ARG 62 1HH1 ARG 62 -6.735 9.330 2.725 432 HH12 ARG 62 2HH1 ARG 62 -7.681 10.776 2.850 433 HH21 ARG 62 1HH2 ARG 62 -10.598 9.324 1.582 434 HH22 ARG 62 2HH2 ARG 62 -9.878 10.772 2.201 435 H ILE 63 H ILE 63 -6.091 2.123 2.744 436 HA ILE 63 HA ILE 63 -3.386 1.833 2.996 437 HB ILE 63 HB ILE 63 -5.495 -0.245 3.587 438 HG12 ILE 63 1HG1 ILE 63 -4.106 1.591 5.532 439 HG13 ILE 63 2HG1 ILE 63 -5.582 2.068 4.700 440 HG21 ILE 63 1HG2 ILE 63 -2.633 -0.081 4.521 441 HG22 ILE 63 2HG2 ILE 63 -3.840 -1.212 5.131 442 HG23 ILE 63 3HG2 ILE 63 -3.320 -1.301 3.448 443 HD11 ILE 63 3HD1 ILE 63 -6.259 1.254 6.788 444 HD12 ILE 63 1HD1 ILE 63 -6.620 -0.039 5.645 445 HD13 ILE 63 2HD1 ILE 63 -5.196 -0.148 6.680 446 H SER 64 H SER 64 -5.556 -0.279 1.129 447 HA SER 64 HA SER 64 -3.663 -2.110 0.235 448 HB2 SER 64 1HB SER 64 -6.310 -1.175 -0.795 449 HB3 SER 64 2HB SER 64 -5.313 -2.195 -1.832 450 HG SER 64 HG SER 64 -6.898 -3.013 0.041 451 H GLN 65 H GLN 65 -4.570 1.040 -1.068 452 HA GLN 65 HA GLN 65 -3.201 0.932 -3.493 453 HB2 GLN 65 1HB GLN 65 -3.562 3.367 -1.742 454 HB3 GLN 65 2HB GLN 65 -3.268 3.357 -3.476 455 HG2 GLN 65 1HG GLN 65 -5.467 1.936 -3.525 456 HG3 GLN 65 2HG GLN 65 -5.748 2.712 -1.968 457 HE21 GLN 65 1HE2 GLN 65 -7.138 4.298 -2.242 458 HE22 GLN 65 2HE2 GLN 65 -7.105 5.474 -3.507 459 H ALA 66 H ALA 66 -2.076 2.093 -0.326 460 HA ALA 66 HA ALA 66 0.470 2.914 -1.036 461 HB1 ALA 66 3HB ALA 66 -0.157 3.463 1.126 462 HB2 ALA 66 1HB ALA 66 -0.677 1.820 1.501 463 HB3 ALA 66 2HB ALA 66 1.042 2.196 1.384 464 H TYR 67 H TYR 67 -0.796 -0.302 -0.680 465 HA TYR 67 HA TYR 67 1.811 -1.553 -0.613 466 HB2 TYR 67 1HB TYR 67 -0.276 -2.464 0.522 467 HB3 TYR 67 2HB TYR 67 -0.841 -2.916 -1.082 468 HD1 TYR 67 1HD TYR 67 2.556 -3.131 0.450 469 HD2 TYR 67 2HD TYR 67 -0.761 -5.232 -1.189 470 HE1 TYR 67 1HE TYR 67 3.820 -5.235 0.605 471 HE2 TYR 67 2HE TYR 67 0.493 -7.342 -1.036 472 HH TYR 67 HH TYR 67 3.790 -7.489 -0.549 473 H VAL 68 H VAL 68 0.685 0.124 -2.942 474 HA VAL 68 HA VAL 68 1.134 -1.863 -5.071 475 HB VAL 68 HB VAL 68 -0.224 0.820 -5.349 476 HG11 VAL 68 1HG1 VAL 68 -1.069 -0.614 -7.442 477 HG12 VAL 68 2HG1 VAL 68 0.384 0.386 -7.489 478 HG13 VAL 68 3HG1 VAL 68 0.516 -1.352 -7.215 479 HG21 VAL 68 3HG2 VAL 68 -2.269 -0.137 -5.031 480 HG22 VAL 68 1HG2 VAL 68 -1.730 -1.729 -5.564 481 HG23 VAL 68 2HG2 VAL 68 -1.316 -1.153 -3.949 482 H VAL 69 H VAL 69 1.407 1.683 -4.893 483 HA VAL 69 HA VAL 69 3.504 1.934 -6.689 484 HB VAL 69 HB VAL 69 2.905 3.728 -4.333 485 HG11 VAL 69 1HG1 VAL 69 3.960 5.468 -5.828 486 HG12 VAL 69 2HG1 VAL 69 5.065 4.281 -5.131 487 HG13 VAL 69 3HG1 VAL 69 4.557 4.134 -6.814 488 HG21 VAL 69 3HG2 VAL 69 1.611 3.320 -6.943 489 HG22 VAL 69 1HG2 VAL 69 0.962 3.981 -5.442 490 HG23 VAL 69 2HG2 VAL 69 1.923 5.002 -6.512 491 H LEU 70 H LEU 70 3.550 1.026 -3.339 492 HA LEU 70 HA LEU 70 6.485 1.170 -3.300 493 HB2 LEU 70 1HB LEU 70 4.903 0.497 -0.875 494 HB3 LEU 70 2HB LEU 70 6.421 1.381 -1.021 495 HG LEU 70 HG LEU 70 3.666 2.446 -1.641 496 HD11 LEU 70 1HD1 LEU 70 4.433 2.090 0.791 497 HD12 LEU 70 2HD1 LEU 70 3.791 3.666 0.331 498 HD13 LEU 70 3HD1 LEU 70 5.532 3.434 0.482 499 HD21 LEU 70 3HD2 LEU 70 4.711 3.922 -2.936 500 HD22 LEU 70 1HD2 LEU 70 6.297 3.317 -2.459 501 HD23 LEU 70 2HD2 LEU 70 5.489 4.540 -1.478 502 H GLY 71 H GLY 71 3.812 -0.995 -3.380 503 HA2 GLY 71 1HA GLY 71 4.746 -3.291 -2.188 504 HA3 GLY 71 2HA GLY 71 3.742 -3.280 -3.630 505 H SER 72 H SER 72 5.831 -1.833 -5.164 506 HA SER 72 HA SER 72 7.619 -4.132 -5.609 507 HB2 SER 72 1HB SER 72 5.910 -3.337 -7.420 508 HB3 SER 72 2HB SER 72 7.079 -2.048 -7.702 509 HG SER 72 HG SER 72 7.990 -3.493 -8.932 510 H ALA 73 H ALA 73 9.769 -3.599 -6.496 511 HA ALA 73 HA ALA 73 10.978 -1.492 -4.944 512 HB1 ALA 73 3HB ALA 73 12.773 -2.736 -6.826 513 HB2 ALA 73 1HB ALA 73 12.793 -2.768 -5.063 514 HB3 ALA 73 2HB ALA 73 11.830 -3.946 -5.956 515 H THR 74 H THR 74 10.656 -2.243 -8.406 516 HA THR 74 HA THR 74 12.049 -0.130 -9.491 517 HB THR 74 HB THR 74 9.517 -1.427 -10.511 518 HG1 THR 74 1HG THR 74 12.266 -1.948 -10.717 519 HG21 THR 74 3HG2 THR 74 10.887 -0.462 -12.696 520 HG22 THR 74 1HG2 THR 74 11.039 0.847 -11.525 521 HG23 THR 74 2HG2 THR 74 9.442 0.258 -11.988 522 H LEU 75 H LEU 75 8.561 -0.191 -8.741 523 HA LEU 75 HA LEU 75 7.898 2.378 -9.462 524 HB2 LEU 75 1HB LEU 75 6.860 0.941 -7.026 525 HB3 LEU 75 2HB LEU 75 6.052 2.228 -7.918 526 HG LEU 75 HG LEU 75 6.695 -0.428 -9.172 527 HD11 LEU 75 1HD1 LEU 75 5.113 -0.277 -6.999 528 HD12 LEU 75 2HD1 LEU 75 4.860 -1.417 -8.320 529 HD13 LEU 75 3HD1 LEU 75 3.941 0.087 -8.266 530 HD21 LEU 75 3HD2 LEU 75 5.179 2.005 -9.908 531 HD22 LEU 75 1HD2 LEU 75 4.483 0.455 -10.379 532 HD23 LEU 75 2HD2 LEU 75 6.104 0.893 -10.917 533 H ARG 76 H ARG 76 8.813 1.344 -6.169 534 HA ARG 76 HA ARG 76 8.832 3.635 -4.787 535 HB2 ARG 76 1HB ARG 76 10.775 1.363 -4.815 536 HB3 ARG 76 2HB ARG 76 11.122 2.766 -3.813 537 HG2 ARG 76 1HG ARG 76 8.549 1.217 -3.665 538 HG3 ARG 76 2HG ARG 76 9.956 0.886 -2.651 539 HD2 ARG 76 1HD ARG 76 8.577 3.561 -2.809 540 HD3 ARG 76 2HD ARG 76 8.221 2.340 -1.589 541 HE ARG 76 HE ARG 76 10.251 2.793 -0.563 542 HH11 ARG 76 1HH1 ARG 76 9.953 4.551 -3.553 543 HH12 ARG 76 2HH1 ARG 76 11.296 5.595 -3.225 544 HH21 ARG 76 1HH2 ARG 76 12.021 4.162 -0.119 545 HH22 ARG 76 2HH2 ARG 76 12.472 5.372 -1.272 546 H ARG 77 H ARG 77 11.464 2.660 -6.973 547 HA ARG 77 HA ARG 77 12.930 5.081 -6.628 548 HB2 ARG 77 1HB ARG 77 13.099 2.744 -8.492 549 HB3 ARG 77 2HB ARG 77 14.022 4.199 -8.845 550 HG2 ARG 77 1HG ARG 77 15.556 2.988 -7.661 551 HG3 ARG 77 2HG ARG 77 14.816 3.935 -6.368 552 HD2 ARG 77 1HD ARG 77 14.829 1.799 -5.477 553 HD3 ARG 77 2HD ARG 77 13.204 1.920 -6.150 554 HE ARG 77 HE ARG 77 14.643 0.832 -8.171 555 HH11 ARG 77 1HH1 ARG 77 14.211 0.017 -4.814 556 HH12 ARG 77 2HH1 ARG 77 14.431 -1.684 -5.064 557 HH21 ARG 77 1HH2 ARG 77 14.934 -1.405 -8.512 558 HH22 ARG 77 2HH2 ARG 77 14.843 -2.491 -7.168 559 H LYS 78 H LYS 78 10.733 3.862 -9.128 560 HA LYS 78 HA LYS 78 10.953 5.835 -11.026 561 HB2 LYS 78 1HB LYS 78 8.495 4.347 -10.097 562 HB3 LYS 78 2HB LYS 78 8.527 5.365 -11.531 563 HG2 LYS 78 1HG LYS 78 10.573 3.839 -12.164 564 HG3 LYS 78 2HG LYS 78 9.786 2.716 -11.052 565 HD2 LYS 78 1HD LYS 78 7.963 2.441 -12.406 566 HD3 LYS 78 2HD LYS 78 8.106 4.054 -13.109 567 HE2 LYS 78 1HE LYS 78 10.221 2.022 -13.661 568 HE3 LYS 78 2HE LYS 78 8.684 1.919 -14.518 569 HZ1 LYS 78 3HZ LYS 78 10.517 3.242 -15.617 570 HZ2 LYS 78 1HZ LYS 78 10.265 4.418 -14.427 571 HZ3 LYS 78 2HZ LYS 78 9.014 4.008 -15.489 572 H TYR 79 H TYR 79 8.557 5.819 -8.380 573 HA TYR 79 HA TYR 79 7.408 8.262 -8.739 574 HB2 TYR 79 1HB TYR 79 6.914 6.528 -6.935 575 HB3 TYR 79 2HB TYR 79 8.200 7.280 -5.998 576 HD1 TYR 79 1HD TYR 79 5.075 8.201 -7.829 577 HD2 TYR 79 2HD TYR 79 7.644 8.974 -4.527 578 HE1 TYR 79 1HE TYR 79 3.475 9.865 -6.981 579 HE2 TYR 79 2HE TYR 79 6.050 10.639 -3.669 580 HH TYR 79 HH TYR 79 3.103 10.844 -4.268 581 H ASP 80 H ASP 80 10.598 7.587 -7.485 582 HA ASP 80 HA ASP 80 11.105 10.204 -6.474 583 HB2 ASP 80 1HB ASP 80 12.320 7.913 -6.010 584 HB3 ASP 80 2HB ASP 80 13.314 8.401 -7.380 585 H ARG 81 H ARG 81 11.843 8.545 -9.514 586 HA ARG 81 HA ARG 81 13.125 10.904 -10.606 587 HB2 ARG 81 1HB ARG 81 12.406 8.512 -12.255 588 HB3 ARG 81 2HB ARG 81 13.805 9.570 -12.377 589 HG2 ARG 81 1HG ARG 81 13.327 7.552 -10.194 590 HG3 ARG 81 2HG ARG 81 14.405 7.343 -11.575 591 HD2 ARG 81 1HD ARG 81 14.649 9.381 -9.368 592 HD3 ARG 81 2HD ARG 81 15.699 7.994 -9.652 593 HE ARG 81 HE ARG 81 15.760 10.529 -11.016 594 HH11 ARG 81 1HH1 ARG 81 16.618 7.158 -11.162 595 HH12 ARG 81 2HH1 ARG 81 17.897 7.399 -12.306 596 HH21 ARG 81 1HH2 ARG 81 17.441 10.859 -12.522 597 HH22 ARG 81 2HH2 ARG 81 18.365 9.505 -13.078 598 H GLY 82 H GLY 82 10.019 10.158 -10.060 599 HA2 GLY 82 1HA GLY 82 8.062 11.097 -10.831 600 HA3 GLY 82 2HA GLY 82 9.032 12.089 -11.910 601 H LEU 83 H LEU 83 9.602 8.740 -12.171 602 HA LEU 83 HA LEU 83 8.586 8.696 -14.849 603 HB2 LEU 83 1HB LEU 83 9.687 6.476 -13.133 604 HB3 LEU 83 2HB LEU 83 9.357 6.362 -14.860 605 HG LEU 83 HG LEU 83 11.251 8.453 -13.895 606 HD11 LEU 83 1HD1 LEU 83 13.097 6.928 -13.893 607 HD12 LEU 83 2HD1 LEU 83 12.047 5.581 -14.331 608 HD13 LEU 83 3HD1 LEU 83 11.889 6.342 -12.748 609 HD21 LEU 83 3HD2 LEU 83 11.993 8.457 -16.046 610 HD22 LEU 83 1HD2 LEU 83 10.345 7.896 -16.328 611 HD23 LEU 83 2HD2 LEU 83 11.673 6.737 -16.278 612 H LEU 84 H LEU 84 7.302 7.972 -11.770 613 HA LEU 84 HA LEU 84 5.311 6.104 -12.719 614 HB2 LEU 84 1HB LEU 84 6.310 6.037 -10.427 615 HB3 LEU 84 2HB LEU 84 5.441 7.527 -10.067 616 HG LEU 84 HG LEU 84 3.351 6.084 -10.775 617 HD11 LEU 84 1HD1 LEU 84 5.489 4.152 -10.685 618 HD12 LEU 84 2HD1 LEU 84 3.817 3.959 -11.212 619 HD13 LEU 84 3HD1 LEU 84 4.232 3.767 -9.509 620 HD21 LEU 84 3HD2 LEU 84 3.133 5.391 -8.387 621 HD22 LEU 84 1HD2 LEU 84 3.559 7.088 -8.615 622 HD23 LEU 84 2HD2 LEU 84 4.796 5.925 -8.134 623 H SER 85 H SER 85 3.474 6.668 -13.663 624 HA SER 85 HA SER 85 2.391 9.359 -13.137 625 HB2 SER 85 1HB SER 85 2.412 7.752 -15.696 626 HB3 SER 85 2HB SER 85 1.387 9.168 -15.460 627 HG SER 85 HG SER 85 3.303 9.804 -16.436 628 H ASP 86 H ASP 86 0.021 9.534 -13.478 629 HA ASP 86 HA ASP 86 -1.466 8.019 -11.812 630 HB2 ASP 86 1HB ASP 86 -2.185 10.094 -13.095 631 HB3 ASP 86 2HB ASP 86 -2.602 9.016 -14.424 632 H GLU 87 H GLU 87 -0.674 7.238 -15.149 633 HA GLU 87 HA GLU 87 -2.338 5.253 -15.853 634 HB2 GLU 87 1HB GLU 87 -0.342 5.960 -17.147 635 HB3 GLU 87 2HB GLU 87 0.671 5.034 -16.048 636 HG2 GLU 87 1HG GLU 87 0.349 3.741 -18.013 637 HG3 GLU 87 2HG GLU 87 -0.581 2.992 -16.717 638 H ASP 88 H ASP 88 0.352 4.883 -13.572 639 HA ASP 88 HA ASP 88 -0.060 2.123 -13.089 640 HB2 ASP 88 1HB ASP 88 1.969 3.728 -12.527 641 HB3 ASP 88 2HB ASP 88 1.126 3.884 -10.988 642 H LEU 89 H LEU 89 -1.069 5.037 -11.327 643 HA LEU 89 HA LEU 89 -2.333 3.786 -9.182 644 HB2 LEU 89 1HB LEU 89 -3.074 6.375 -10.537 645 HB3 LEU 89 2HB LEU 89 -3.605 5.870 -8.935 646 HG LEU 89 HG LEU 89 -0.718 6.333 -9.666 647 HD11 LEU 89 1HD1 LEU 89 -1.841 8.301 -7.903 648 HD12 LEU 89 2HD1 LEU 89 -2.727 8.266 -9.428 649 HD13 LEU 89 3HD1 LEU 89 -0.982 8.521 -9.428 650 HD21 LEU 89 3HD2 LEU 89 -0.790 4.967 -7.774 651 HD22 LEU 89 1HD2 LEU 89 -2.204 5.791 -7.117 652 HD23 LEU 89 2HD2 LEU 89 -0.634 6.596 -7.116 653 H ARG 90 H ARG 90 -3.768 4.948 -12.231 654 HA ARG 90 HA ARG 90 -6.346 3.894 -11.680 655 HB2 ARG 90 1HB ARG 90 -6.804 4.358 -14.063 656 HB3 ARG 90 2HB ARG 90 -6.068 5.728 -13.242 657 HG2 ARG 90 1HG ARG 90 -3.987 5.366 -14.291 658 HG3 ARG 90 2HG ARG 90 -4.473 3.769 -14.864 659 HD2 ARG 90 1HD ARG 90 -4.616 5.178 -16.743 660 HD3 ARG 90 2HD ARG 90 -6.277 4.958 -16.193 661 HE ARG 90 HE ARG 90 -5.219 7.262 -14.992 662 HH11 ARG 90 1HH1 ARG 90 -6.206 6.086 -18.117 663 HH12 ARG 90 2HH1 ARG 90 -6.636 7.654 -18.716 664 HH21 ARG 90 1HH2 ARG 90 -5.782 9.331 -15.769 665 HH22 ARG 90 2HH2 ARG 90 -6.394 9.499 -17.380 666 H GLY 91 H GLY 91 -3.469 2.611 -13.192 667 HA2 GLY 91 1HA GLY 91 -3.014 0.296 -13.349 668 HA3 GLY 91 2HA GLY 91 -4.740 -0.024 -13.259 669 HA PRO 92 HA PRO 92 -3.182 -0.338 -17.686 670 HB2 PRO 92 1HB PRO 92 -3.820 -2.953 -18.047 671 HB3 PRO 92 2HB PRO 92 -2.254 -2.424 -17.420 672 HG2 PRO 92 1HG PRO 92 -4.644 -3.441 -15.932 673 HG3 PRO 92 2HG PRO 92 -2.930 -3.825 -15.692 674 HD2 PRO 92 1HD PRO 92 -4.260 -2.061 -14.127 675 HD3 PRO 92 2HD PRO 92 -2.533 -1.891 -14.502 676 H GLY 93 H GLY 93 -4.598 0.327 -19.172 677 HA2 GLY 93 1HA GLY 93 -7.137 -0.948 -19.550 678 HA3 GLY 93 2HA GLY 93 -7.299 0.644 -18.822 679 H SER 94 H SER 94 -5.845 -1.033 -21.593 680 HA SER 94 HA SER 94 -6.742 1.093 -23.344 681 HB2 SER 94 1HB SER 94 -4.460 1.390 -24.341 682 HB3 SER 94 2HB SER 94 -4.602 2.001 -22.692 683 HG SER 94 HG SER 94 -3.135 0.627 -22.103 684 H GLY 95 H GLY 95 -6.644 0.525 -25.589 685 HA2 GLY 95 1HA GLY 95 -5.662 -1.414 -27.028 686 HA3 GLY 95 2HA GLY 95 -6.671 -2.386 -25.967 687 HA PRO 96 HA PRO 96 -9.223 -1.368 -29.663 688 HB2 PRO 96 1HB PRO 96 -10.379 -3.820 -29.809 689 HB3 PRO 96 2HB PRO 96 -8.817 -3.449 -30.548 690 HG2 PRO 96 1HG PRO 96 -9.407 -4.813 -27.949 691 HG3 PRO 96 2HG PRO 96 -8.208 -5.234 -29.186 692 HD2 PRO 96 1HD PRO 96 -7.555 -3.911 -26.915 693 HD3 PRO 96 2HD PRO 96 -6.708 -3.645 -28.453 694 H SER 97 H SER 97 -9.771 -2.203 -26.428 695 HA SER 97 HA SER 97 -12.392 -2.725 -26.074 696 HB2 SER 97 1HB SER 97 -10.761 -0.670 -24.564 697 HB3 SER 97 2HB SER 97 -12.307 -1.316 -24.014 698 HG SER 97 HG SER 97 -10.316 -3.141 -24.708 699 H SER 98 H SER 98 -14.333 -1.746 -26.300 700 HA SER 98 HA SER 98 -14.341 0.850 -27.671 701 HB2 SER 98 1HB SER 98 -16.577 0.249 -28.456 702 HB3 SER 98 2HB SER 98 -15.433 -1.036 -28.842 703 HG SER 98 HG SER 98 -16.191 -2.082 -26.886 704 H GLY 99 H GLY 99 -14.776 -0.422 -24.640 705 HA2 GLY 99 1HA GLY 99 -15.248 1.061 -22.806 706 HA3 GLY 99 2HA GLY 99 -16.383 1.912 -23.841 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 31.471 30.517 -9.610 2 HA2 GLY 1 1HA GLY 1 28.941 29.829 -9.159 3 HA3 GLY 1 2HA GLY 1 29.570 28.316 -9.795 4 H SER 2 H SER 2 28.554 28.178 -7.352 5 HA SER 2 HA SER 2 30.677 28.563 -5.393 6 HB2 SER 2 1HB SER 2 28.174 29.057 -4.991 7 HB3 SER 2 2HB SER 2 27.996 27.310 -4.833 8 HG SER 2 HG SER 2 28.972 27.375 -2.960 9 H SER 3 H SER 3 32.216 27.050 -5.447 10 HA SER 3 HA SER 3 31.772 24.369 -6.290 11 HB2 SER 3 1HB SER 3 34.133 25.454 -4.738 12 HB3 SER 3 2HB SER 3 34.094 23.990 -5.719 13 HG SER 3 HG SER 3 34.331 25.152 -7.465 14 H GLY 4 H GLY 4 32.704 25.687 -3.102 15 HA2 GLY 4 1HA GLY 4 32.317 23.268 -1.704 16 HA3 GLY 4 2HA GLY 4 32.386 24.869 -0.981 17 H SER 5 H SER 5 30.757 23.322 0.299 18 HA SER 5 HA SER 5 28.086 24.191 -0.558 19 HB2 SER 5 1HB SER 5 28.592 21.709 -1.052 20 HB3 SER 5 2HB SER 5 28.509 21.485 0.696 21 HG SER 5 HG SER 5 26.429 22.868 -0.554 22 H SER 6 H SER 6 26.749 24.870 1.057 23 HA SER 6 HA SER 6 27.984 25.340 3.633 24 HB2 SER 6 1HB SER 6 25.320 26.187 2.475 25 HB3 SER 6 2HB SER 6 25.881 26.638 4.085 26 HG SER 6 HG SER 6 27.850 27.344 2.705 27 H GLY 7 H GLY 7 26.542 25.072 5.623 28 HA2 GLY 7 1HA GLY 7 25.144 22.472 5.465 29 HA3 GLY 7 2HA GLY 7 26.232 22.875 6.785 30 H SER 8 H SER 8 23.095 23.440 5.368 31 HA SER 8 HA SER 8 22.263 24.746 7.876 32 HB2 SER 8 1HB SER 8 21.559 25.378 5.029 33 HB3 SER 8 2HB SER 8 20.411 25.744 6.317 34 HG SER 8 HG SER 8 23.070 26.697 6.054 35 H GLN 9 H GLN 9 20.551 23.901 8.918 36 HA GLN 9 HA GLN 9 19.581 21.341 8.152 37 HB2 GLN 9 1HB GLN 9 19.823 22.455 10.520 38 HB3 GLN 9 2HB GLN 9 18.189 23.021 10.200 39 HG2 GLN 9 1HG GLN 9 17.308 20.880 10.194 40 HG3 GLN 9 2HG GLN 9 18.875 20.129 9.895 41 HE21 GLN 9 1HE2 GLN 9 16.566 20.599 12.158 42 HE22 GLN 9 2HE2 GLN 9 17.509 20.404 13.592 43 H GLY 10 H GLY 10 17.116 20.926 8.233 44 HA2 GLY 10 1HA GLY 10 14.927 21.618 7.616 45 HA3 GLY 10 2HA GLY 10 15.622 23.042 6.855 46 H ASP 11 H ASP 11 15.660 23.039 4.715 47 HA ASP 11 HA ASP 11 15.752 22.331 2.551 48 HB2 ASP 11 1HB ASP 11 17.641 20.865 3.576 49 HB3 ASP 11 2HB ASP 11 16.469 19.556 3.448 50 H CYS 12 H CYS 12 13.320 22.301 3.934 51 HA CYS 12 HA CYS 12 11.782 20.031 3.864 52 HB2 CYS 12 1HB CYS 12 11.049 22.893 3.255 53 HB3 CYS 12 2HB CYS 12 9.848 21.611 3.347 54 HG CYS 12 HG CYS 12 9.970 21.184 5.979 55 H SER 13 H SER 13 11.407 18.613 2.308 56 HA SER 13 HA SER 13 11.134 19.594 -0.457 57 HB2 SER 13 1HB SER 13 12.540 17.108 0.530 58 HB3 SER 13 2HB SER 13 12.094 17.356 -1.158 59 HG SER 13 HG SER 13 13.500 19.400 0.109 60 H TYR 14 H TYR 14 10.201 17.567 -1.806 61 HA TYR 14 HA TYR 14 7.544 17.380 -1.369 62 HB2 TYR 14 1HB TYR 14 7.577 15.241 -2.649 63 HB3 TYR 14 2HB TYR 14 8.530 16.518 -3.396 64 HD1 TYR 14 2HD TYR 14 9.044 13.775 -0.900 65 HD2 TYR 14 1HD TYR 14 10.558 15.879 -4.274 66 HE1 TYR 14 2HE TYR 14 10.997 12.281 -0.948 67 HE2 TYR 14 1HE TYR 14 12.514 14.390 -4.332 68 HH TYR 14 HH TYR 14 12.682 11.505 -2.526 69 H SER 15 H SER 15 6.126 15.736 -0.531 70 HA SER 15 HA SER 15 6.864 14.905 2.095 71 HB2 SER 15 1HB SER 15 4.415 14.732 0.403 72 HB3 SER 15 2HB SER 15 4.544 13.634 1.777 73 HG SER 15 HG SER 15 5.148 16.319 2.213 74 H ARG 16 H ARG 16 5.706 12.977 -0.678 75 HA ARG 16 HA ARG 16 5.877 10.692 -1.004 76 HB2 ARG 16 1HB ARG 16 8.740 11.643 -0.830 77 HB3 ARG 16 2HB ARG 16 8.262 10.078 -1.475 78 HG2 ARG 16 1HG ARG 16 7.025 12.532 -2.615 79 HG3 ARG 16 2HG ARG 16 8.685 12.125 -3.054 80 HD2 ARG 16 1HD ARG 16 7.870 9.848 -3.689 81 HD3 ARG 16 2HD ARG 16 6.225 10.425 -3.424 82 HE ARG 16 HE ARG 16 7.858 10.914 -5.703 83 HH11 ARG 16 1HH1 ARG 16 5.391 12.321 -3.689 84 HH12 ARG 16 2HH1 ARG 16 4.768 13.343 -4.941 85 HH21 ARG 16 1HH2 ARG 16 7.046 12.255 -7.360 86 HH22 ARG 16 2HH2 ARG 16 5.710 13.304 -7.029 87 H THR 17 H THR 17 5.536 11.326 1.786 88 HA THR 17 HA THR 17 7.019 9.073 2.977 89 HB THR 17 HB THR 17 6.388 11.765 4.150 90 HG1 THR 17 1HG THR 17 8.487 11.125 3.160 91 HG21 THR 17 3HG2 THR 17 7.002 10.851 6.368 92 HG22 THR 17 1HG2 THR 17 6.970 9.228 5.681 93 HG23 THR 17 2HG2 THR 17 5.490 10.185 5.753 94 H ALA 18 H ALA 18 3.998 10.707 2.532 95 HA ALA 18 HA ALA 18 2.393 9.683 4.513 96 HB1 ALA 18 3HB ALA 18 0.708 10.541 3.316 97 HB2 ALA 18 1HB ALA 18 1.969 11.111 2.222 98 HB3 ALA 18 2HB ALA 18 1.122 9.602 1.882 99 H LEU 19 H LEU 19 2.816 8.197 1.292 100 HA LEU 19 HA LEU 19 1.441 5.857 1.721 101 HB2 LEU 19 1HB LEU 19 4.023 5.947 0.187 102 HB3 LEU 19 2HB LEU 19 2.614 4.928 -0.105 103 HG LEU 19 HG LEU 19 2.933 7.864 -0.685 104 HD11 LEU 19 1HD1 LEU 19 3.799 6.588 -2.449 105 HD12 LEU 19 2HD1 LEU 19 2.162 7.003 -2.956 106 HD13 LEU 19 3HD1 LEU 19 2.510 5.390 -2.332 107 HD21 LEU 19 3HD2 LEU 19 0.757 7.709 0.230 108 HD22 LEU 19 1HD2 LEU 19 0.437 6.186 -0.599 109 HD23 LEU 19 2HD2 LEU 19 0.558 7.684 -1.523 110 H TYR 20 H TYR 20 4.383 6.854 3.148 111 HA TYR 20 HA TYR 20 5.129 4.139 3.922 112 HB2 TYR 20 1HB TYR 20 6.526 6.735 4.592 113 HB3 TYR 20 2HB TYR 20 7.173 5.108 4.771 114 HD1 TYR 20 2HD TYR 20 5.911 7.482 2.191 115 HD2 TYR 20 1HD TYR 20 8.438 4.170 3.056 116 HE1 TYR 20 2HE TYR 20 6.850 7.613 -0.079 117 HE2 TYR 20 1HE TYR 20 9.385 4.293 0.789 118 HH TYR 20 HH TYR 20 9.648 6.188 -0.995 119 H ASP 21 H ASP 21 3.883 7.123 5.281 120 HA ASP 21 HA ASP 21 4.116 6.368 8.010 121 HB2 ASP 21 1HB ASP 21 3.848 8.644 7.823 122 HB3 ASP 21 2HB ASP 21 2.696 8.508 6.498 123 H LEU 22 H LEU 22 1.757 5.760 5.525 124 HA LEU 22 HA LEU 22 -0.437 5.062 7.134 125 HB2 LEU 22 1HB LEU 22 0.410 4.525 4.342 126 HB3 LEU 22 2HB LEU 22 -0.859 3.506 5.018 127 HG LEU 22 HG LEU 22 -1.895 5.878 5.636 128 HD11 LEU 22 1HD1 LEU 22 0.064 6.399 3.450 129 HD12 LEU 22 2HD1 LEU 22 -0.378 7.402 4.831 130 HD13 LEU 22 3HD1 LEU 22 -1.476 7.258 3.459 131 HD21 LEU 22 3HD2 LEU 22 -2.071 4.756 2.845 132 HD22 LEU 22 1HD2 LEU 22 -3.304 5.661 3.724 133 HD23 LEU 22 2HD2 LEU 22 -2.864 4.035 4.247 134 H LEU 23 H LEU 23 2.127 3.045 5.717 135 HA LEU 23 HA LEU 23 1.182 0.652 6.974 136 HB2 LEU 23 1HB LEU 23 3.506 1.431 5.304 137 HB3 LEU 23 2HB LEU 23 3.669 -0.015 6.299 138 HG LEU 23 HG LEU 23 1.772 -1.033 5.176 139 HD11 LEU 23 1HD1 LEU 23 1.401 0.678 2.958 140 HD12 LEU 23 2HD1 LEU 23 1.213 1.652 4.415 141 HD13 LEU 23 3HD1 LEU 23 0.227 0.208 4.188 142 HD21 LEU 23 3HD2 LEU 23 2.751 -1.274 2.937 143 HD22 LEU 23 1HD2 LEU 23 3.972 -1.368 4.207 144 HD23 LEU 23 2HD2 LEU 23 3.801 0.108 3.257 145 H GLY 24 H GLY 24 3.893 2.878 7.554 146 HA2 GLY 24 1HA GLY 24 4.357 3.434 9.902 147 HA3 GLY 24 2HA GLY 24 4.094 1.736 10.272 148 H VAL 25 H VAL 25 5.720 2.054 7.361 149 HA VAL 25 HA VAL 25 8.237 1.305 8.652 150 HB VAL 25 HB VAL 25 8.949 0.528 6.444 151 HG11 VAL 25 1HG1 VAL 25 7.472 -0.838 8.041 152 HG12 VAL 25 2HG1 VAL 25 6.182 -0.547 6.872 153 HG13 VAL 25 3HG1 VAL 25 7.644 -1.404 6.380 154 HG21 VAL 25 3HG2 VAL 25 7.884 2.081 4.985 155 HG22 VAL 25 1HG2 VAL 25 7.244 0.483 4.601 156 HG23 VAL 25 2HG2 VAL 25 6.282 1.612 5.555 157 HA PRO 26 HA PRO 26 10.252 5.107 7.762 158 HB2 PRO 26 1HB PRO 26 12.803 4.244 7.419 159 HB3 PRO 26 2HB PRO 26 12.016 4.309 9.000 160 HG2 PRO 26 1HG PRO 26 12.409 1.969 7.175 161 HG3 PRO 26 2HG PRO 26 12.608 2.061 8.934 162 HD2 PRO 26 1HD PRO 26 10.400 1.011 7.771 163 HD3 PRO 26 2HD PRO 26 10.345 1.864 9.327 164 H SER 27 H SER 27 11.515 6.248 6.124 165 HA SER 27 HA SER 27 10.634 5.679 3.506 166 HB2 SER 27 1HB SER 27 11.140 7.962 4.261 167 HB3 SER 27 2HB SER 27 12.845 7.539 4.415 168 HG SER 27 HG SER 27 12.957 8.148 2.410 169 H THR 28 H THR 28 13.293 4.535 5.305 170 HA THR 28 HA THR 28 14.586 3.535 2.853 171 HB THR 28 HB THR 28 16.673 3.409 4.030 172 HG1 THR 28 1HG THR 28 15.904 2.827 6.094 173 HG21 THR 28 3HG2 THR 28 15.155 5.956 4.115 174 HG22 THR 28 1HG2 THR 28 16.644 5.554 3.260 175 HG23 THR 28 2HG2 THR 28 16.686 5.903 4.988 176 H ALA 29 H ALA 29 12.308 2.368 4.347 177 HA ALA 29 HA ALA 29 13.185 0.137 5.850 178 HB1 ALA 29 3HB ALA 29 10.836 1.239 5.686 179 HB2 ALA 29 1HB ALA 29 10.605 0.118 4.344 180 HB3 ALA 29 2HB ALA 29 10.968 -0.499 5.957 181 H THR 30 H THR 30 12.132 -2.114 4.935 182 HA THR 30 HA THR 30 13.344 -2.549 2.284 183 HB THR 30 HB THR 30 14.140 -4.737 3.007 184 HG1 THR 30 1HG THR 30 12.888 -3.992 5.440 185 HG21 THR 30 3HG2 THR 30 15.029 -2.645 4.992 186 HG22 THR 30 1HG2 THR 30 15.571 -2.709 3.316 187 HG23 THR 30 2HG2 THR 30 15.952 -4.033 4.417 188 H GLN 31 H GLN 31 12.465 -4.306 1.054 189 HA GLN 31 HA GLN 31 9.777 -4.386 0.755 190 HB2 GLN 31 1HB GLN 31 11.717 -5.548 -0.585 191 HB3 GLN 31 2HB GLN 31 11.267 -6.952 0.374 192 HG2 GLN 31 1HG GLN 31 9.497 -5.403 -1.501 193 HG3 GLN 31 2HG GLN 31 10.138 -7.028 -1.740 194 HE21 GLN 31 1HE2 GLN 31 9.715 -8.128 0.740 195 HE22 GLN 31 2HE2 GLN 31 8.018 -8.249 1.035 196 H ALA 32 H ALA 32 11.673 -6.298 3.016 197 HA ALA 32 HA ALA 32 9.678 -8.090 3.835 198 HB1 ALA 32 3HB ALA 32 12.330 -7.403 4.635 199 HB2 ALA 32 1HB ALA 32 11.307 -7.526 6.067 200 HB3 ALA 32 2HB ALA 32 11.425 -8.884 4.947 201 H GLN 33 H GLN 33 10.540 -4.866 5.024 202 HA GLN 33 HA GLN 33 8.611 -4.889 7.134 203 HB2 GLN 33 1HB GLN 33 10.174 -2.641 5.859 204 HB3 GLN 33 2HB GLN 33 9.125 -2.436 7.255 205 HG2 GLN 33 1HG GLN 33 10.524 -4.146 8.437 206 HG3 GLN 33 2HG GLN 33 11.641 -4.068 7.076 207 HE21 GLN 33 1HE2 GLN 33 12.817 -2.167 6.720 208 HE22 GLN 33 2HE2 GLN 33 13.034 -0.989 7.965 209 H ILE 34 H ILE 34 8.798 -2.995 4.114 210 HA ILE 34 HA ILE 34 6.383 -1.749 4.141 211 HB ILE 34 HB ILE 34 7.741 -3.023 1.766 212 HG12 ILE 34 1HG1 ILE 34 7.650 -0.103 2.496 213 HG13 ILE 34 2HG1 ILE 34 8.879 -1.175 3.157 214 HG21 ILE 34 1HG2 ILE 34 5.818 -2.637 0.690 215 HG22 ILE 34 2HG2 ILE 34 5.184 -1.633 1.993 216 HG23 ILE 34 3HG2 ILE 34 6.267 -0.934 0.789 217 HD11 ILE 34 3HD1 ILE 34 9.004 -1.703 0.474 218 HD12 ILE 34 1HD1 ILE 34 8.665 0.027 0.520 219 HD13 ILE 34 2HD1 ILE 34 10.071 -0.619 1.366 220 H LYS 35 H LYS 35 6.951 -5.136 3.824 221 HA LYS 35 HA LYS 35 4.244 -5.671 2.886 222 HB2 LYS 35 1HB LYS 35 6.064 -6.991 1.932 223 HB3 LYS 35 2HB LYS 35 6.530 -7.541 3.536 224 HG2 LYS 35 1HG LYS 35 4.280 -8.606 3.739 225 HG3 LYS 35 2HG LYS 35 4.001 -8.196 2.045 226 HD2 LYS 35 1HD LYS 35 6.333 -9.406 1.740 227 HD3 LYS 35 2HD LYS 35 5.850 -10.197 3.243 228 HE2 LYS 35 1HE LYS 35 4.947 -11.634 1.702 229 HE3 LYS 35 2HE LYS 35 3.586 -10.543 1.961 230 HZ1 LYS 35 3HZ LYS 35 4.568 -9.262 -0.011 231 HZ2 LYS 35 1HZ LYS 35 3.736 -10.700 -0.330 232 HZ3 LYS 35 2HZ LYS 35 5.427 -10.683 -0.339 233 H ALA 36 H ALA 36 6.246 -6.984 5.533 234 HA ALA 36 HA ALA 36 4.328 -8.151 7.062 235 HB1 ALA 36 3HB ALA 36 6.160 -8.503 8.266 236 HB2 ALA 36 1HB ALA 36 6.980 -7.136 7.512 237 HB3 ALA 36 2HB ALA 36 5.971 -6.884 8.937 238 H ALA 37 H ALA 37 5.054 -4.710 6.871 239 HA ALA 37 HA ALA 37 3.387 -3.901 9.016 240 HB1 ALA 37 3HB ALA 37 4.192 -1.863 8.585 241 HB2 ALA 37 1HB ALA 37 5.226 -2.661 7.399 242 HB3 ALA 37 2HB ALA 37 3.703 -1.931 6.892 243 H TYR 38 H TYR 38 2.889 -3.524 5.499 244 HA TYR 38 HA TYR 38 0.336 -2.607 5.447 245 HB2 TYR 38 1HB TYR 38 1.270 -2.805 3.341 246 HB3 TYR 38 2HB TYR 38 1.845 -4.443 3.634 247 HD1 TYR 38 1HD TYR 38 -1.317 -2.513 3.191 248 HD2 TYR 38 2HD TYR 38 0.688 -6.236 2.721 249 HE1 TYR 38 1HE TYR 38 -3.269 -3.405 1.990 250 HE2 TYR 38 2HE TYR 38 -1.258 -7.138 1.517 251 HH TYR 38 HH TYR 38 -4.056 -6.268 1.631 252 H TYR 39 H TYR 39 1.372 -5.879 6.149 253 HA TYR 39 HA TYR 39 -1.086 -7.195 5.929 254 HB2 TYR 39 1HB TYR 39 1.471 -7.712 7.360 255 HB3 TYR 39 2HB TYR 39 0.061 -8.639 7.863 256 HD1 TYR 39 2HD TYR 39 1.588 -7.564 4.617 257 HD2 TYR 39 1HD TYR 39 -0.095 -10.725 6.913 258 HE1 TYR 39 2HE TYR 39 1.941 -9.109 2.737 259 HE2 TYR 39 1HE TYR 39 0.254 -12.280 5.040 260 HH TYR 39 HH TYR 39 1.186 -11.189 1.896 261 H ARG 40 H ARG 40 0.356 -5.409 8.612 262 HA ARG 40 HA ARG 40 -1.501 -6.071 10.596 263 HB2 ARG 40 1HB ARG 40 0.277 -3.685 10.165 264 HB3 ARG 40 2HB ARG 40 -0.818 -3.764 11.539 265 HG2 ARG 40 1HG ARG 40 0.346 -6.116 11.868 266 HG3 ARG 40 2HG ARG 40 1.644 -5.316 10.980 267 HD2 ARG 40 1HD ARG 40 1.527 -3.450 12.626 268 HD3 ARG 40 2HD ARG 40 0.360 -4.397 13.548 269 HE ARG 40 HE ARG 40 2.610 -5.987 13.163 270 HH11 ARG 40 1HH1 ARG 40 1.746 -3.031 14.788 271 HH12 ARG 40 2HH1 ARG 40 2.937 -3.214 16.032 272 HH21 ARG 40 1HH2 ARG 40 4.183 -6.238 14.796 273 HH22 ARG 40 2HH2 ARG 40 4.323 -5.038 16.036 274 H GLN 41 H GLN 41 -1.454 -3.309 8.353 275 HA GLN 41 HA GLN 41 -3.862 -2.154 9.249 276 HB2 GLN 41 1HB GLN 41 -2.887 -1.921 6.417 277 HB3 GLN 41 2HB GLN 41 -3.709 -0.718 7.400 278 HG2 GLN 41 1HG GLN 41 -0.854 -1.617 7.560 279 HG3 GLN 41 2HG GLN 41 -1.482 -0.002 7.235 280 HE21 GLN 41 1HE2 GLN 41 0.278 -1.360 9.372 281 HE22 GLN 41 2HE2 GLN 41 -0.342 -0.720 10.852 282 H CYS 42 H CYS 42 -3.221 -4.156 6.367 283 HA CYS 42 HA CYS 42 -5.781 -4.364 5.389 284 HB2 CYS 42 1HB CYS 42 -5.047 -6.185 4.127 285 HB3 CYS 42 2HB CYS 42 -3.553 -5.323 4.475 286 HG CYS 42 HG CYS 42 -4.420 -8.419 5.245 287 H PHE 43 H PHE 43 -4.285 -6.200 8.003 288 HA PHE 43 HA PHE 43 -6.500 -7.970 8.357 289 HB2 PHE 43 1HB PHE 43 -4.479 -8.846 9.139 290 HB3 PHE 43 2HB PHE 43 -4.026 -7.343 9.937 291 HD1 PHE 43 1HD PHE 43 -5.640 -6.612 11.889 292 HD2 PHE 43 2HD PHE 43 -5.231 -10.589 10.428 293 HE1 PHE 43 1HE PHE 43 -6.510 -7.480 14.020 294 HE2 PHE 43 2HE PHE 43 -6.102 -11.463 12.556 295 HZ PHE 43 HZ PHE 43 -6.744 -9.909 14.355 296 H LEU 44 H LEU 44 -5.464 -4.939 9.818 297 HA LEU 44 HA LEU 44 -7.159 -4.826 12.006 298 HB2 LEU 44 1HB LEU 44 -5.844 -2.816 10.267 299 HB3 LEU 44 2HB LEU 44 -7.128 -2.249 11.333 300 HG LEU 44 HG LEU 44 -4.824 -3.837 12.411 301 HD11 LEU 44 1HD1 LEU 44 -4.904 -0.883 11.836 302 HD12 LEU 44 2HD1 LEU 44 -3.735 -2.066 11.250 303 HD13 LEU 44 3HD1 LEU 44 -3.771 -1.636 12.960 304 HD21 LEU 44 3HD2 LEU 44 -5.377 -2.462 14.429 305 HD22 LEU 44 1HD2 LEU 44 -6.650 -3.571 13.920 306 HD23 LEU 44 2HD2 LEU 44 -6.781 -1.851 13.553 307 H TYR 45 H TYR 45 -7.769 -3.357 8.810 308 HA TYR 45 HA TYR 45 -10.624 -3.273 9.444 309 HB2 TYR 45 1HB TYR 45 -9.153 -2.062 7.095 310 HB3 TYR 45 2HB TYR 45 -10.832 -1.774 7.536 311 HD1 TYR 45 2HD TYR 45 -7.341 -1.311 8.713 312 HD2 TYR 45 1HD TYR 45 -11.397 -0.072 9.054 313 HE1 TYR 45 2HE TYR 45 -6.639 0.580 10.120 314 HE2 TYR 45 1HE TYR 45 -10.706 1.823 10.461 315 HH TYR 45 HH TYR 45 -8.066 3.139 10.607 316 H HIS 46 H HIS 46 -10.410 -5.738 9.219 317 HA HIS 46 HA HIS 46 -10.062 -6.970 6.732 318 HB2 HIS 46 1HB HIS 46 -10.374 -7.940 9.180 319 HB3 HIS 46 2HB HIS 46 -12.050 -8.087 8.659 320 HD2 HIS 46 2HD HIS 46 -8.528 -9.398 7.421 321 HE1 HIS 46 1HE HIS 46 -11.564 -12.109 6.224 322 HE2 HIS 46 2HE HIS 46 -9.084 -11.690 6.359 323 HA PRO 47 HA PRO 47 -13.654 -5.781 4.477 324 HB2 PRO 47 1HB PRO 47 -13.676 -7.793 2.654 325 HB3 PRO 47 2HB PRO 47 -12.513 -6.463 2.603 326 HG2 PRO 47 1HG PRO 47 -12.168 -9.241 3.664 327 HG3 PRO 47 2HG PRO 47 -11.055 -8.273 2.679 328 HD2 PRO 47 1HD PRO 47 -10.765 -8.551 5.356 329 HD3 PRO 47 2HD PRO 47 -10.293 -7.073 4.493 330 H ASP 48 H ASP 48 -13.385 -8.710 6.229 331 HA ASP 48 HA ASP 48 -16.177 -9.437 5.726 332 HB2 ASP 48 1HB ASP 48 -14.097 -10.927 7.340 333 HB3 ASP 48 2HB ASP 48 -15.674 -11.532 6.840 334 H ARG 49 H ARG 49 -14.025 -8.289 8.241 335 HA ARG 49 HA ARG 49 -15.721 -8.647 10.451 336 HB2 ARG 49 1HB ARG 49 -13.433 -6.792 9.870 337 HB3 ARG 49 2HB ARG 49 -14.349 -6.638 11.364 338 HG2 ARG 49 1HG ARG 49 -13.855 -9.107 11.733 339 HG3 ARG 49 2HG ARG 49 -12.672 -8.943 10.433 340 HD2 ARG 49 1HD ARG 49 -11.330 -8.492 12.220 341 HD3 ARG 49 2HD ARG 49 -11.911 -6.863 11.876 342 HE ARG 49 HE ARG 49 -13.060 -6.887 13.860 343 HH11 ARG 49 1HH1 ARG 49 -12.048 -10.124 13.074 344 HH12 ARG 49 2HH1 ARG 49 -12.511 -10.781 14.609 345 HH21 ARG 49 1HH2 ARG 49 -13.673 -7.740 15.885 346 HH22 ARG 49 2HH2 ARG 49 -13.435 -9.424 16.207 347 H ASN 50 H ASN 50 -15.283 -5.868 8.281 348 HA ASN 50 HA ASN 50 -17.561 -4.528 9.532 349 HB2 ASN 50 1HB ASN 50 -15.716 -3.514 7.359 350 HB3 ASN 50 2HB ASN 50 -16.888 -2.565 8.268 351 HD21 ASN 50 1HD2 ASN 50 -13.771 -4.023 8.266 352 HD22 ASN 50 2HD2 ASN 50 -13.225 -3.367 9.769 353 H SER 51 H SER 51 -19.387 -5.501 8.794 354 HA SER 51 HA SER 51 -19.891 -6.613 6.333 355 HB2 SER 51 1HB SER 51 -21.693 -5.247 8.318 356 HB3 SER 51 2HB SER 51 -22.338 -5.896 6.810 357 HG SER 51 HG SER 51 -21.893 -7.903 7.458 358 H GLY 52 H GLY 52 -21.304 -3.458 7.183 359 HA2 GLY 52 1HA GLY 52 -20.616 -2.530 4.465 360 HA3 GLY 52 2HA GLY 52 -22.216 -2.275 5.145 361 H SER 53 H SER 53 -18.795 -1.490 5.557 362 HA SER 53 HA SER 53 -19.323 0.593 7.464 363 HB2 SER 53 1HB SER 53 -16.836 1.148 6.872 364 HB3 SER 53 2HB SER 53 -17.206 -0.328 7.764 365 HG SER 53 HG SER 53 -16.420 -0.004 5.092 366 H ALA 54 H ALA 54 -18.824 2.851 7.120 367 HA ALA 54 HA ALA 54 -19.449 3.702 4.371 368 HB1 ALA 54 3HB ALA 54 -21.100 4.844 5.325 369 HB2 ALA 54 1HB ALA 54 -20.497 4.483 6.943 370 HB3 ALA 54 2HB ALA 54 -19.873 5.877 6.059 371 H GLU 55 H GLU 55 -17.450 4.430 7.202 372 HA GLU 55 HA GLU 55 -15.800 6.212 5.554 373 HB2 GLU 55 1HB GLU 55 -16.110 5.869 8.528 374 HB3 GLU 55 2HB GLU 55 -14.741 6.732 7.842 375 HG2 GLU 55 1HG GLU 55 -17.652 7.440 7.632 376 HG3 GLU 55 2HG GLU 55 -16.373 8.340 8.445 377 H ALA 56 H ALA 56 -15.688 3.289 7.501 378 HA ALA 56 HA ALA 56 -12.992 2.819 7.707 379 HB1 ALA 56 3HB ALA 56 -15.220 1.385 8.276 380 HB2 ALA 56 1HB ALA 56 -14.550 0.450 6.939 381 HB3 ALA 56 2HB ALA 56 -13.576 0.754 8.377 382 H ALA 57 H ALA 57 -15.061 2.408 4.892 383 HA ALA 57 HA ALA 57 -13.361 0.937 3.252 384 HB1 ALA 57 3HB ALA 57 -15.135 3.126 2.214 385 HB2 ALA 57 1HB ALA 57 -14.708 1.595 1.448 386 HB3 ALA 57 2HB ALA 57 -15.785 1.612 2.845 387 H GLU 58 H GLU 58 -13.761 4.486 3.314 388 HA GLU 58 HA GLU 58 -11.893 5.268 1.515 389 HB2 GLU 58 1HB GLU 58 -12.370 6.512 4.229 390 HB3 GLU 58 2HB GLU 58 -11.549 7.301 2.890 391 HG2 GLU 58 1HG GLU 58 -14.373 6.293 2.718 392 HG3 GLU 58 2HG GLU 58 -13.956 7.928 3.228 393 H ARG 59 H ARG 59 -11.132 4.926 4.987 394 HA ARG 59 HA ARG 59 -8.418 5.248 4.885 395 HB2 ARG 59 1HB ARG 59 -9.943 4.836 6.914 396 HB3 ARG 59 2HB ARG 59 -9.667 3.125 6.615 397 HG2 ARG 59 1HG ARG 59 -8.014 3.502 8.119 398 HG3 ARG 59 2HG ARG 59 -7.138 3.906 6.641 399 HD2 ARG 59 1HD ARG 59 -8.659 6.067 8.000 400 HD3 ARG 59 2HD ARG 59 -7.162 5.514 8.750 401 HE ARG 59 HE ARG 59 -7.389 7.167 6.468 402 HH11 ARG 59 1HH1 ARG 59 -5.506 4.542 7.766 403 HH12 ARG 59 2HH1 ARG 59 -4.077 4.957 6.879 404 HH21 ARG 59 1HH2 ARG 59 -5.514 7.723 5.295 405 HH22 ARG 59 2HH2 ARG 59 -4.082 6.767 5.475 406 H PHE 60 H PHE 60 -9.855 1.994 5.105 407 HA PHE 60 HA PHE 60 -7.729 0.454 4.499 408 HB2 PHE 60 1HB PHE 60 -9.941 -0.472 4.981 409 HB3 PHE 60 2HB PHE 60 -10.526 0.070 3.412 410 HD1 PHE 60 1HD PHE 60 -7.447 -1.732 4.503 411 HD2 PHE 60 2HD PHE 60 -10.928 -1.733 2.055 412 HE1 PHE 60 1HE PHE 60 -6.742 -3.868 3.508 413 HE2 PHE 60 2HE PHE 60 -10.229 -3.870 1.056 414 HZ PHE 60 HZ PHE 60 -8.134 -4.941 1.783 415 H THR 61 H THR 61 -9.789 2.077 2.108 416 HA THR 61 HA THR 61 -8.567 1.107 -0.204 417 HB THR 61 HB THR 61 -9.836 3.822 0.211 418 HG1 THR 61 1HG THR 61 -11.349 2.252 0.643 419 HG21 THR 61 3HG2 THR 61 -10.319 3.143 -2.370 420 HG22 THR 61 1HG2 THR 61 -8.712 2.456 -2.143 421 HG23 THR 61 2HG2 THR 61 -8.986 4.174 -1.852 422 H ARG 62 H ARG 62 -7.704 3.812 1.883 423 HA ARG 62 HA ARG 62 -5.719 4.915 0.191 424 HB2 ARG 62 1HB ARG 62 -6.383 5.158 3.102 425 HB3 ARG 62 2HB ARG 62 -4.876 5.833 2.495 426 HG2 ARG 62 1HG ARG 62 -6.510 6.906 0.708 427 HG3 ARG 62 2HG ARG 62 -7.671 6.690 2.020 428 HD2 ARG 62 1HD ARG 62 -6.175 7.923 3.527 429 HD3 ARG 62 2HD ARG 62 -5.042 8.158 2.196 430 HE ARG 62 HE ARG 62 -6.339 9.887 1.479 431 HH11 ARG 62 1HH1 ARG 62 -8.270 7.824 3.512 432 HH12 ARG 62 2HH1 ARG 62 -9.653 8.868 3.481 433 HH21 ARG 62 1HH2 ARG 62 -8.153 11.269 1.429 434 HH22 ARG 62 2HH2 ARG 62 -9.586 10.827 2.294 435 H ILE 63 H ILE 63 -5.578 2.609 2.879 436 HA ILE 63 HA ILE 63 -2.835 2.323 3.109 437 HB ILE 63 HB ILE 63 -5.106 0.427 3.579 438 HG12 ILE 63 1HG1 ILE 63 -3.783 0.608 5.904 439 HG13 ILE 63 2HG1 ILE 63 -3.269 2.129 5.183 440 HG21 ILE 63 1HG2 ILE 63 -2.182 -0.219 3.585 441 HG22 ILE 63 2HG2 ILE 63 -3.298 -1.059 4.660 442 HG23 ILE 63 3HG2 ILE 63 -3.526 -1.143 2.914 443 HD11 ILE 63 3HD1 ILE 63 -5.999 1.245 5.991 444 HD12 ILE 63 1HD1 ILE 63 -5.143 2.739 6.370 445 HD13 ILE 63 2HD1 ILE 63 -5.796 2.483 4.752 446 H SER 64 H SER 64 -4.983 0.168 1.240 447 HA SER 64 HA SER 64 -3.223 -1.454 0.010 448 HB2 SER 64 1HB SER 64 -4.802 -1.810 -1.695 449 HB3 SER 64 2HB SER 64 -5.775 -1.239 -0.340 450 HG SER 64 HG SER 64 -6.445 0.004 -1.977 451 H GLN 65 H GLN 65 -4.043 1.811 -1.140 452 HA GLN 65 HA GLN 65 -2.518 1.952 -3.408 453 HB2 GLN 65 1HB GLN 65 -2.633 4.229 -1.441 454 HB3 GLN 65 2HB GLN 65 -2.558 4.311 -3.196 455 HG2 GLN 65 1HG GLN 65 -4.850 3.006 -2.985 456 HG3 GLN 65 2HG GLN 65 -4.868 3.802 -1.413 457 HE21 GLN 65 1HE2 GLN 65 -6.442 5.268 -1.748 458 HE22 GLN 65 2HE2 GLN 65 -6.371 6.523 -2.932 459 H ALA 66 H ALA 66 -1.442 2.474 -0.072 460 HA ALA 66 HA ALA 66 1.198 3.226 -0.641 461 HB1 ALA 66 3HB ALA 66 1.667 2.440 1.699 462 HB2 ALA 66 1HB ALA 66 0.350 3.603 1.544 463 HB3 ALA 66 2HB ALA 66 -0.007 1.890 1.772 464 H TYR 67 H TYR 67 -0.345 0.101 -0.529 465 HA TYR 67 HA TYR 67 2.175 -1.335 -0.593 466 HB2 TYR 67 1HB TYR 67 0.063 -2.142 0.593 467 HB3 TYR 67 2HB TYR 67 -0.574 -2.506 -1.007 468 HD1 TYR 67 1HD TYR 67 2.870 -2.965 0.345 469 HD2 TYR 67 2HD TYR 67 -0.662 -4.829 -1.122 470 HE1 TYR 67 1HE TYR 67 4.006 -5.146 0.396 471 HE2 TYR 67 2HE TYR 67 0.464 -7.014 -1.074 472 HH TYR 67 HH TYR 67 2.383 -8.071 0.148 473 H VAL 68 H VAL 68 1.170 0.528 -2.788 474 HA VAL 68 HA VAL 68 1.414 -1.389 -5.016 475 HB VAL 68 HB VAL 68 -0.042 1.256 -4.958 476 HG11 VAL 68 1HG1 VAL 68 0.721 1.310 -7.104 477 HG12 VAL 68 2HG1 VAL 68 0.896 -0.444 -7.205 478 HG13 VAL 68 3HG1 VAL 68 -0.701 0.294 -7.339 479 HG21 VAL 68 3HG2 VAL 68 -1.303 -1.314 -5.760 480 HG22 VAL 68 1HG2 VAL 68 -1.007 -1.031 -4.045 481 HG23 VAL 68 2HG2 VAL 68 -2.008 0.093 -4.964 482 H VAL 69 H VAL 69 1.805 2.128 -4.559 483 HA VAL 69 HA VAL 69 3.780 2.476 -6.488 484 HB VAL 69 HB VAL 69 3.317 4.080 -3.970 485 HG11 VAL 69 1HG1 VAL 69 4.365 5.787 -5.840 486 HG12 VAL 69 2HG1 VAL 69 5.257 5.062 -4.500 487 HG13 VAL 69 3HG1 VAL 69 5.301 4.315 -6.098 488 HG21 VAL 69 3HG2 VAL 69 2.022 3.976 -6.614 489 HG22 VAL 69 1HG2 VAL 69 1.380 4.486 -5.052 490 HG23 VAL 69 2HG2 VAL 69 2.378 5.590 -5.999 491 H LEU 70 H LEU 70 4.032 1.499 -3.130 492 HA LEU 70 HA LEU 70 6.952 1.547 -3.266 493 HB2 LEU 70 1HB LEU 70 5.248 0.741 -0.923 494 HB3 LEU 70 2HB LEU 70 6.947 1.211 -0.915 495 HG LEU 70 HG LEU 70 4.671 3.082 -1.561 496 HD11 LEU 70 1HD1 LEU 70 5.949 3.748 0.869 497 HD12 LEU 70 2HD1 LEU 70 5.504 2.044 0.955 498 HD13 LEU 70 3HD1 LEU 70 4.274 3.260 0.610 499 HD21 LEU 70 3HD2 LEU 70 6.722 3.814 -2.552 500 HD22 LEU 70 1HD2 LEU 70 7.613 3.501 -1.063 501 HD23 LEU 70 2HD2 LEU 70 6.422 4.801 -1.121 502 H GLY 71 H GLY 71 4.275 -0.638 -3.389 503 HA2 GLY 71 1HA GLY 71 5.155 -3.042 -2.537 504 HA3 GLY 71 2HA GLY 71 4.269 -2.859 -4.044 505 H SER 72 H SER 72 6.395 -1.308 -5.319 506 HA SER 72 HA SER 72 8.418 -3.427 -5.645 507 HB2 SER 72 1HB SER 72 6.714 -3.259 -7.529 508 HB3 SER 72 2HB SER 72 7.414 -1.683 -7.897 509 HG SER 72 HG SER 72 8.414 -4.213 -8.344 510 H ALA 73 H ALA 73 10.487 -2.796 -5.569 511 HA ALA 73 HA ALA 73 11.264 -0.315 -4.614 512 HB1 ALA 73 3HB ALA 73 12.552 -2.576 -4.783 513 HB2 ALA 73 1HB ALA 73 13.145 -1.904 -6.303 514 HB3 ALA 73 2HB ALA 73 13.440 -1.052 -4.787 515 H THR 74 H THR 74 11.147 -1.484 -7.954 516 HA THR 74 HA THR 74 12.360 0.731 -9.175 517 HB THR 74 HB THR 74 10.361 -1.271 -10.220 518 HG1 THR 74 1HG THR 74 13.008 -0.973 -11.119 519 HG21 THR 74 3HG2 THR 74 9.931 0.487 -11.667 520 HG22 THR 74 1HG2 THR 74 11.248 -0.347 -12.491 521 HG23 THR 74 2HG2 THR 74 11.576 1.114 -11.559 522 H LEU 75 H LEU 75 8.874 -0.037 -9.029 523 HA LEU 75 HA LEU 75 7.717 2.110 -10.107 524 HB2 LEU 75 1HB LEU 75 7.009 0.746 -7.526 525 HB3 LEU 75 2HB LEU 75 5.989 1.994 -8.238 526 HG LEU 75 HG LEU 75 6.689 -0.655 -9.504 527 HD11 LEU 75 1HD1 LEU 75 5.106 -1.360 -8.072 528 HD12 LEU 75 2HD1 LEU 75 4.003 -0.620 -9.232 529 HD13 LEU 75 3HD1 LEU 75 4.487 0.267 -7.786 530 HD21 LEU 75 3HD2 LEU 75 6.412 0.961 -11.232 531 HD22 LEU 75 1HD2 LEU 75 4.992 1.649 -10.445 532 HD23 LEU 75 2HD2 LEU 75 4.917 0.029 -11.139 533 H ARG 76 H ARG 76 9.012 2.072 -6.796 534 HA ARG 76 HA ARG 76 8.342 4.608 -5.976 535 HB2 ARG 76 1HB ARG 76 10.966 3.208 -5.434 536 HB3 ARG 76 2HB ARG 76 10.266 4.507 -4.477 537 HG2 ARG 76 1HG ARG 76 8.647 3.146 -3.564 538 HG3 ARG 76 2HG ARG 76 8.729 1.984 -4.890 539 HD2 ARG 76 1HD ARG 76 9.805 0.833 -3.213 540 HD3 ARG 76 2HD ARG 76 11.163 1.607 -4.028 541 HE ARG 76 HE ARG 76 10.134 3.199 -1.894 542 HH11 ARG 76 1HH1 ARG 76 12.188 0.489 -2.642 543 HH12 ARG 76 2HH1 ARG 76 13.164 0.670 -1.222 544 HH21 ARG 76 1HH2 ARG 76 11.411 3.447 -0.021 545 HH22 ARG 76 2HH2 ARG 76 12.720 2.352 0.269 546 H ARG 77 H ARG 77 11.300 3.656 -7.718 547 HA ARG 77 HA ARG 77 12.479 6.154 -7.927 548 HB2 ARG 77 1HB ARG 77 12.549 4.027 -10.070 549 HB3 ARG 77 2HB ARG 77 13.757 5.267 -9.763 550 HG2 ARG 77 1HG ARG 77 13.198 2.753 -8.270 551 HG3 ARG 77 2HG ARG 77 14.737 3.425 -8.813 552 HD2 ARG 77 1HD ARG 77 13.038 4.596 -6.615 553 HD3 ARG 77 2HD ARG 77 14.409 3.519 -6.350 554 HE ARG 77 HE ARG 77 15.078 5.817 -7.925 555 HH11 ARG 77 1HH1 ARG 77 14.651 4.624 -4.682 556 HH12 ARG 77 2HH1 ARG 77 15.706 5.800 -3.971 557 HH21 ARG 77 1HH2 ARG 77 16.469 7.370 -7.000 558 HH22 ARG 77 2HH2 ARG 77 16.739 7.362 -5.290 559 H LYS 78 H LYS 78 10.085 4.632 -10.048 560 HA LYS 78 HA LYS 78 10.012 6.546 -12.066 561 HB2 LYS 78 1HB LYS 78 7.676 4.949 -11.002 562 HB3 LYS 78 2HB LYS 78 7.788 5.698 -12.589 563 HG2 LYS 78 1HG LYS 78 9.874 4.207 -12.891 564 HG3 LYS 78 2HG LYS 78 9.215 3.292 -11.533 565 HD2 LYS 78 1HD LYS 78 8.218 2.174 -13.255 566 HD3 LYS 78 2HD LYS 78 7.006 3.431 -12.993 567 HE2 LYS 78 1HE LYS 78 9.235 3.999 -14.876 568 HE3 LYS 78 2HE LYS 78 7.971 2.889 -15.401 569 HZ1 LYS 78 3HZ LYS 78 6.580 4.570 -15.720 570 HZ2 LYS 78 1HZ LYS 78 7.881 5.626 -15.489 571 HZ3 LYS 78 2HZ LYS 78 6.879 5.223 -14.188 572 H TYR 79 H TYR 79 7.623 6.262 -9.430 573 HA TYR 79 HA TYR 79 6.319 8.646 -9.793 574 HB2 TYR 79 1HB TYR 79 5.695 6.851 -8.162 575 HB3 TYR 79 2HB TYR 79 6.961 7.444 -7.093 576 HD1 TYR 79 1HD TYR 79 4.587 9.426 -9.160 577 HD2 TYR 79 2HD TYR 79 5.765 8.243 -5.246 578 HE1 TYR 79 1HE TYR 79 3.008 11.049 -8.200 579 HE2 TYR 79 2HE TYR 79 4.188 9.862 -4.276 580 HH TYR 79 HH TYR 79 2.263 12.014 -6.338 581 H ASP 80 H ASP 80 9.360 8.070 -8.113 582 HA ASP 80 HA ASP 80 9.712 10.510 -6.851 583 HB2 ASP 80 1HB ASP 80 11.196 8.325 -6.938 584 HB3 ASP 80 2HB ASP 80 12.055 9.223 -8.187 585 H ARG 81 H ARG 81 10.492 9.599 -10.187 586 HA ARG 81 HA ARG 81 11.293 12.341 -10.783 587 HB2 ARG 81 1HB ARG 81 11.190 10.124 -12.803 588 HB3 ARG 81 2HB ARG 81 12.247 11.529 -12.754 589 HG2 ARG 81 1HG ARG 81 12.380 9.221 -10.825 590 HG3 ARG 81 2HG ARG 81 13.400 9.403 -12.254 591 HD2 ARG 81 1HD ARG 81 13.975 11.718 -11.229 592 HD3 ARG 81 2HD ARG 81 13.364 11.013 -9.732 593 HE ARG 81 HE ARG 81 15.166 9.191 -10.736 594 HH11 ARG 81 1HH1 ARG 81 15.235 12.523 -9.728 595 HH12 ARG 81 2HH1 ARG 81 16.890 12.470 -9.218 596 HH21 ARG 81 1HH2 ARG 81 17.346 9.109 -10.069 597 HH22 ARG 81 2HH2 ARG 81 18.090 10.528 -9.414 598 H GLY 82 H GLY 82 8.449 11.250 -10.284 599 HA2 GLY 82 1HA GLY 82 6.347 11.822 -11.012 600 HA3 GLY 82 2HA GLY 82 7.121 13.008 -12.053 601 H LEU 83 H LEU 83 7.794 9.575 -12.217 602 HA LEU 83 HA LEU 83 6.833 9.566 -14.972 603 HB2 LEU 83 1HB LEU 83 8.319 7.407 -13.487 604 HB3 LEU 83 2HB LEU 83 8.057 7.511 -15.227 605 HG LEU 83 HG LEU 83 9.560 9.703 -13.880 606 HD11 LEU 83 1HD1 LEU 83 11.603 8.144 -14.567 607 HD12 LEU 83 2HD1 LEU 83 10.448 6.889 -14.119 608 HD13 LEU 83 3HD1 LEU 83 10.900 8.128 -12.949 609 HD21 LEU 83 3HD2 LEU 83 10.846 9.177 -16.160 610 HD22 LEU 83 1HD2 LEU 83 9.422 10.216 -16.084 611 HD23 LEU 83 2HD2 LEU 83 9.259 8.531 -16.581 612 H LEU 84 H LEU 84 6.050 8.288 -11.847 613 HA LEU 84 HA LEU 84 4.367 6.168 -12.716 614 HB2 LEU 84 1HB LEU 84 5.366 6.318 -10.460 615 HB3 LEU 84 2HB LEU 84 4.313 7.688 -10.112 616 HG LEU 84 HG LEU 84 2.441 5.899 -10.739 617 HD11 LEU 84 1HD1 LEU 84 3.070 3.706 -9.797 618 HD12 LEU 84 2HD1 LEU 84 4.743 4.255 -9.698 619 HD13 LEU 84 3HD1 LEU 84 3.958 4.101 -11.269 620 HD21 LEU 84 3HD2 LEU 84 2.224 5.449 -8.337 621 HD22 LEU 84 1HD2 LEU 84 2.564 7.150 -8.660 622 HD23 LEU 84 2HD2 LEU 84 3.847 6.090 -8.077 623 H SER 85 H SER 85 2.426 6.289 -13.612 624 HA SER 85 HA SER 85 0.858 8.756 -13.239 625 HB2 SER 85 1HB SER 85 1.737 8.111 -15.588 626 HB3 SER 85 2HB SER 85 0.487 6.868 -15.553 627 HG SER 85 HG SER 85 -1.064 8.427 -15.449 628 H ASP 86 H ASP 86 -1.526 8.445 -13.436 629 HA ASP 86 HA ASP 86 -2.483 6.689 -11.507 630 HB2 ASP 86 1HB ASP 86 -4.176 7.729 -13.774 631 HB3 ASP 86 2HB ASP 86 -4.665 7.387 -12.117 632 H GLU 87 H GLU 87 -1.547 6.030 -14.690 633 HA GLU 87 HA GLU 87 -3.327 3.860 -15.227 634 HB2 GLU 87 1HB GLU 87 -2.156 5.125 -17.007 635 HB3 GLU 87 2HB GLU 87 -0.627 4.464 -16.446 636 HG2 GLU 87 1HG GLU 87 -1.276 3.194 -18.326 637 HG3 GLU 87 2HG GLU 87 -1.550 2.182 -16.909 638 H ASP 88 H ASP 88 -0.234 4.203 -13.646 639 HA ASP 88 HA ASP 88 0.185 1.332 -13.510 640 HB2 ASP 88 1HB ASP 88 1.761 3.724 -12.585 641 HB3 ASP 88 2HB ASP 88 2.186 2.094 -12.071 642 H LEU 89 H LEU 89 -0.616 4.009 -11.342 643 HA LEU 89 HA LEU 89 -0.514 2.795 -8.891 644 HB2 LEU 89 1HB LEU 89 -2.408 4.823 -10.023 645 HB3 LEU 89 2HB LEU 89 -2.563 4.265 -8.359 646 HG LEU 89 HG LEU 89 0.074 5.314 -9.262 647 HD11 LEU 89 1HD1 LEU 89 -0.856 7.591 -8.423 648 HD12 LEU 89 2HD1 LEU 89 -2.416 6.924 -8.905 649 HD13 LEU 89 3HD1 LEU 89 -1.126 7.098 -10.095 650 HD21 LEU 89 3HD2 LEU 89 -0.195 6.285 -6.863 651 HD22 LEU 89 1HD2 LEU 89 0.163 4.572 -7.079 652 HD23 LEU 89 2HD2 LEU 89 -1.485 5.089 -6.722 653 H ARG 90 H ARG 90 -3.015 2.482 -11.351 654 HA ARG 90 HA ARG 90 -4.799 0.963 -9.719 655 HB2 ARG 90 1HB ARG 90 -6.074 0.615 -11.728 656 HB3 ARG 90 2HB ARG 90 -5.507 2.280 -11.714 657 HG2 ARG 90 1HG ARG 90 -3.839 1.813 -13.340 658 HG3 ARG 90 2HG ARG 90 -4.119 0.075 -13.213 659 HD2 ARG 90 1HD ARG 90 -6.409 1.818 -13.958 660 HD3 ARG 90 2HD ARG 90 -5.162 1.523 -15.169 661 HE ARG 90 HE ARG 90 -6.085 -0.883 -13.926 662 HH11 ARG 90 1HH1 ARG 90 -6.772 1.463 -16.405 663 HH12 ARG 90 2HH1 ARG 90 -7.697 0.362 -17.373 664 HH21 ARG 90 1HH2 ARG 90 -7.301 -2.341 -15.191 665 HH22 ARG 90 2HH2 ARG 90 -7.998 -1.801 -16.680 666 H GLY 91 H GLY 91 -2.221 0.190 -11.985 667 HA2 GLY 91 1HA GLY 91 -0.937 -1.783 -11.907 668 HA3 GLY 91 2HA GLY 91 -2.208 -2.546 -10.964 669 HA PRO 92 HA PRO 92 -3.415 -2.682 -15.679 670 HB2 PRO 92 1HB PRO 92 -1.293 -2.544 -17.368 671 HB3 PRO 92 2HB PRO 92 -2.214 -1.122 -16.863 672 HG2 PRO 92 1HG PRO 92 0.398 -2.153 -15.826 673 HG3 PRO 92 2HG PRO 92 -0.082 -0.484 -16.188 674 HD2 PRO 92 1HD PRO 92 -0.053 -1.477 -13.669 675 HD3 PRO 92 2HD PRO 92 -1.217 -0.245 -14.196 676 H GLY 93 H GLY 93 -0.342 -3.970 -14.515 677 HA2 GLY 93 1HA GLY 93 -1.047 -6.625 -14.502 678 HA3 GLY 93 2HA GLY 93 -0.431 -6.337 -16.123 679 H SER 94 H SER 94 0.494 -7.752 -13.492 680 HA SER 94 HA SER 94 3.134 -6.513 -13.243 681 HB2 SER 94 1HB SER 94 1.938 -7.055 -11.160 682 HB3 SER 94 2HB SER 94 1.870 -8.751 -11.639 683 HG SER 94 HG SER 94 4.320 -7.359 -11.421 684 H GLY 95 H GLY 95 4.727 -7.227 -14.484 685 HA2 GLY 95 1HA GLY 95 6.135 -8.665 -15.598 686 HA3 GLY 95 2HA GLY 95 5.362 -9.985 -14.733 687 HA PRO 96 HA PRO 96 4.061 -9.628 -19.340 688 HB2 PRO 96 1HB PRO 96 5.840 -11.336 -20.476 689 HB3 PRO 96 2HB PRO 96 6.127 -9.597 -20.344 690 HG2 PRO 96 1HG PRO 96 7.145 -11.820 -18.618 691 HG3 PRO 96 2HG PRO 96 8.009 -10.403 -19.242 692 HD2 PRO 96 1HD PRO 96 7.067 -10.536 -16.707 693 HD3 PRO 96 2HD PRO 96 7.160 -9.011 -17.612 694 H SER 97 H SER 97 2.631 -11.090 -20.153 695 HA SER 97 HA SER 97 1.575 -13.104 -18.639 696 HB2 SER 97 1HB SER 97 0.452 -13.899 -20.642 697 HB3 SER 97 2HB SER 97 0.519 -12.137 -20.675 698 HG SER 97 HG SER 97 1.209 -13.552 -22.615 699 H SER 98 H SER 98 2.455 -14.893 -17.864 700 HA SER 98 HA SER 98 4.829 -16.045 -18.928 701 HB2 SER 98 1HB SER 98 4.682 -17.620 -17.144 702 HB3 SER 98 2HB SER 98 4.078 -16.094 -16.499 703 HG SER 98 HG SER 98 1.944 -16.893 -16.948 704 H GLY 99 H GLY 99 5.013 -18.364 -19.532 705 HA2 GLY 99 1HA GLY 99 2.707 -19.158 -21.200 706 HA3 GLY 99 2HA GLY 99 4.383 -19.435 -21.652 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 8.684 -5.249 16.877 2 HA2 GLY 1 1HA GLY 1 9.345 -3.924 14.368 3 HA3 GLY 1 2HA GLY 1 7.635 -4.012 14.765 4 H SER 2 H SER 2 8.866 -1.579 14.432 5 HA SER 2 HA SER 2 8.505 -0.433 17.080 6 HB2 SER 2 1HB SER 2 11.020 0.069 15.468 7 HB3 SER 2 2HB SER 2 10.584 0.874 16.976 8 HG SER 2 HG SER 2 11.863 -0.756 17.619 9 H SER 3 H SER 3 8.148 1.864 17.040 10 HA SER 3 HA SER 3 7.867 3.178 14.477 11 HB2 SER 3 1HB SER 3 5.753 2.054 14.492 12 HB3 SER 3 2HB SER 3 5.469 2.478 16.179 13 HG SER 3 HG SER 3 4.305 3.895 14.927 14 H GLY 4 H GLY 4 7.375 5.455 14.677 15 HA2 GLY 4 1HA GLY 4 7.109 6.735 17.196 16 HA3 GLY 4 2HA GLY 4 8.790 6.748 16.686 17 H SER 5 H SER 5 5.788 8.276 16.441 18 HA SER 5 HA SER 5 6.847 10.421 14.911 19 HB2 SER 5 1HB SER 5 5.334 10.231 12.958 20 HB3 SER 5 2HB SER 5 6.486 8.899 13.038 21 HG SER 5 HG SER 5 4.608 7.885 12.712 22 H SER 6 H SER 6 5.797 12.226 15.461 23 HA SER 6 HA SER 6 2.981 12.107 16.217 24 HB2 SER 6 1HB SER 6 3.461 13.438 18.294 25 HB3 SER 6 2HB SER 6 4.058 11.780 18.346 26 HG SER 6 HG SER 6 5.567 13.440 19.065 27 H GLY 7 H GLY 7 2.141 14.385 16.671 28 HA2 GLY 7 1HA GLY 7 1.893 16.594 16.057 29 HA3 GLY 7 2HA GLY 7 3.587 16.601 15.588 30 H SER 8 H SER 8 0.584 17.075 14.437 31 HA SER 8 HA SER 8 1.457 16.762 11.695 32 HB2 SER 8 1HB SER 8 -0.576 15.473 11.040 33 HB3 SER 8 2HB SER 8 0.516 14.560 12.082 34 HG SER 8 HG SER 8 -2.042 15.086 12.479 35 H GLN 9 H GLN 9 0.078 17.862 10.177 36 HA GLN 9 HA GLN 9 -2.118 19.447 11.172 37 HB2 GLN 9 1HB GLN 9 -0.139 20.776 11.841 38 HB3 GLN 9 2HB GLN 9 0.375 20.825 10.160 39 HG2 GLN 9 1HG GLN 9 -1.533 22.120 9.543 40 HG3 GLN 9 2HG GLN 9 -2.245 21.924 11.143 41 HE21 GLN 9 1HE2 GLN 9 -1.760 23.353 12.688 42 HE22 GLN 9 2HE2 GLN 9 -0.599 24.623 12.535 43 H GLY 10 H GLY 10 -3.327 20.469 9.503 44 HA2 GLY 10 1HA GLY 10 -3.161 19.060 6.992 45 HA3 GLY 10 2HA GLY 10 -4.389 20.228 7.456 46 H ASP 11 H ASP 11 -2.275 19.724 5.151 47 HA ASP 11 HA ASP 11 -2.093 22.487 4.430 48 HB2 ASP 11 1HB ASP 11 0.401 22.525 4.256 49 HB3 ASP 11 2HB ASP 11 -0.194 22.479 5.913 50 H CYS 12 H CYS 12 -2.753 22.296 2.394 51 HA CYS 12 HA CYS 12 -2.656 20.078 0.772 52 HB2 CYS 12 1HB CYS 12 -3.988 22.118 0.310 53 HB3 CYS 12 2HB CYS 12 -2.510 22.955 -0.151 54 HG CYS 12 HG CYS 12 -2.211 20.579 -2.082 55 H SER 13 H SER 13 -0.758 18.967 0.665 56 HA SER 13 HA SER 13 1.351 20.182 -0.943 57 HB2 SER 13 1HB SER 13 3.125 19.454 0.577 58 HB3 SER 13 2HB SER 13 2.031 20.564 1.403 59 HG SER 13 HG SER 13 2.559 18.681 2.645 60 H TYR 14 H TYR 14 2.515 18.726 -2.172 61 HA TYR 14 HA TYR 14 1.413 16.551 -3.249 62 HB2 TYR 14 1HB TYR 14 3.736 15.654 -3.654 63 HB3 TYR 14 2HB TYR 14 3.497 17.336 -4.113 64 HD1 TYR 14 2HD TYR 14 4.886 15.158 -1.448 65 HD2 TYR 14 1HD TYR 14 4.843 19.035 -3.200 66 HE1 TYR 14 2HE TYR 14 6.802 15.805 -0.048 67 HE2 TYR 14 1HE TYR 14 6.760 19.692 -1.806 68 HH TYR 14 HH TYR 14 8.496 18.807 -0.527 69 H SER 15 H SER 15 1.477 14.282 -2.976 70 HA SER 15 HA SER 15 1.772 13.459 -0.166 71 HB2 SER 15 1HB SER 15 0.108 12.183 -2.351 72 HB3 SER 15 2HB SER 15 0.164 11.678 -0.662 73 HG SER 15 HG SER 15 -0.978 13.980 -1.799 74 H ARG 16 H ARG 16 3.994 13.005 -0.299 75 HA ARG 16 HA ARG 16 4.691 10.697 -1.992 76 HB2 ARG 16 1HB ARG 16 6.199 13.132 -1.191 77 HB3 ARG 16 2HB ARG 16 7.106 11.632 -1.332 78 HG2 ARG 16 1HG ARG 16 7.330 12.519 -3.437 79 HG3 ARG 16 2HG ARG 16 5.938 11.454 -3.647 80 HD2 ARG 16 1HD ARG 16 4.428 13.332 -3.395 81 HD3 ARG 16 2HD ARG 16 5.785 14.411 -3.076 82 HE ARG 16 HE ARG 16 4.905 13.432 -5.641 83 HH11 ARG 16 1HH1 ARG 16 7.541 14.795 -3.820 84 HH12 ARG 16 2HH1 ARG 16 8.345 15.436 -5.215 85 HH21 ARG 16 1HH2 ARG 16 5.954 14.270 -7.485 86 HH22 ARG 16 2HH2 ARG 16 7.441 15.137 -7.299 87 H THR 17 H THR 17 5.537 12.220 1.120 88 HA THR 17 HA THR 17 6.534 9.725 2.174 89 HB THR 17 HB THR 17 6.004 12.187 3.819 90 HG1 THR 17 1HG THR 17 7.344 12.355 1.676 91 HG21 THR 17 3HG2 THR 17 7.506 11.314 5.310 92 HG22 THR 17 1HG2 THR 17 8.414 10.459 4.064 93 HG23 THR 17 2HG2 THR 17 6.872 9.816 4.629 94 H ALA 18 H ALA 18 3.590 10.267 1.441 95 HA ALA 18 HA ALA 18 2.240 9.915 3.979 96 HB1 ALA 18 3HB ALA 18 0.571 9.401 1.692 97 HB2 ALA 18 1HB ALA 18 0.468 10.691 2.889 98 HB3 ALA 18 2HB ALA 18 1.495 10.886 1.468 99 H LEU 19 H LEU 19 2.505 8.012 0.970 100 HA LEU 19 HA LEU 19 1.229 5.723 1.669 101 HB2 LEU 19 1HB LEU 19 3.902 5.497 0.356 102 HB3 LEU 19 2HB LEU 19 2.411 4.622 0.011 103 HG LEU 19 HG LEU 19 3.136 7.433 -0.788 104 HD11 LEU 19 1HD1 LEU 19 4.005 6.036 -2.396 105 HD12 LEU 19 2HD1 LEU 19 2.391 6.342 -3.036 106 HD13 LEU 19 3HD1 LEU 19 2.733 4.831 -2.193 107 HD21 LEU 19 3HD2 LEU 19 0.467 6.039 -0.913 108 HD22 LEU 19 1HD2 LEU 19 0.871 7.489 -1.833 109 HD23 LEU 19 2HD2 LEU 19 0.858 7.539 -0.070 110 H TYR 20 H TYR 20 4.319 6.834 2.851 111 HA TYR 20 HA TYR 20 5.044 4.348 4.085 112 HB2 TYR 20 1HB TYR 20 6.127 7.114 4.651 113 HB3 TYR 20 2HB TYR 20 6.890 5.580 5.058 114 HD1 TYR 20 2HD TYR 20 5.875 7.739 2.222 115 HD2 TYR 20 1HD TYR 20 8.258 4.454 3.499 116 HE1 TYR 20 2HE TYR 20 7.046 7.755 0.059 117 HE2 TYR 20 1HE TYR 20 9.436 4.461 1.340 118 HH TYR 20 HH TYR 20 9.917 6.100 -0.489 119 H ASP 21 H ASP 21 3.409 7.288 5.078 120 HA ASP 21 HA ASP 21 3.428 6.746 7.868 121 HB2 ASP 21 1HB ASP 21 3.005 8.990 6.712 122 HB3 ASP 21 2HB ASP 21 1.363 8.413 6.437 123 H LEU 22 H LEU 22 1.064 6.173 5.291 124 HA LEU 22 HA LEU 22 -1.073 5.252 6.762 125 HB2 LEU 22 1HB LEU 22 -0.022 4.547 4.053 126 HB3 LEU 22 2HB LEU 22 -1.418 3.694 4.709 127 HG LEU 22 HG LEU 22 -2.293 6.180 5.053 128 HD11 LEU 22 1HD1 LEU 22 -0.369 7.337 4.253 129 HD12 LEU 22 2HD1 LEU 22 -1.639 7.515 3.044 130 HD13 LEU 22 3HD1 LEU 22 -0.326 6.367 2.780 131 HD21 LEU 22 3HD2 LEU 22 -2.505 5.301 2.248 132 HD22 LEU 22 1HD2 LEU 22 -3.766 5.671 3.424 133 HD23 LEU 22 2HD2 LEU 22 -2.954 4.106 3.466 134 H LEU 23 H LEU 23 1.703 3.376 5.574 135 HA LEU 23 HA LEU 23 0.808 0.987 6.925 136 HB2 LEU 23 1HB LEU 23 3.054 1.732 5.137 137 HB3 LEU 23 2HB LEU 23 3.293 0.352 6.207 138 HG LEU 23 HG LEU 23 1.297 -0.718 5.218 139 HD11 LEU 23 1HD1 LEU 23 -0.134 0.784 4.325 140 HD12 LEU 23 2HD1 LEU 23 0.793 0.449 2.863 141 HD13 LEU 23 3HD1 LEU 23 1.153 1.882 3.825 142 HD21 LEU 23 3HD2 LEU 23 2.332 -1.316 3.109 143 HD22 LEU 23 1HD2 LEU 23 3.557 -1.192 4.372 144 HD23 LEU 23 2HD2 LEU 23 3.374 0.105 3.191 145 H GLY 24 H GLY 24 3.743 3.012 7.164 146 HA2 GLY 24 1HA GLY 24 4.277 3.845 9.445 147 HA3 GLY 24 2HA GLY 24 3.897 2.224 10.009 148 H VAL 25 H VAL 25 5.634 2.760 7.034 149 HA VAL 25 HA VAL 25 8.028 1.603 8.299 150 HB VAL 25 HB VAL 25 8.696 0.932 6.001 151 HG11 VAL 25 1HG1 VAL 25 6.077 -0.056 7.103 152 HG12 VAL 25 2HG1 VAL 25 6.899 -0.832 5.748 153 HG13 VAL 25 3HG1 VAL 25 7.685 -0.745 7.325 154 HG21 VAL 25 3HG2 VAL 25 6.953 0.965 4.235 155 HG22 VAL 25 1HG2 VAL 25 5.954 1.966 5.289 156 HG23 VAL 25 2HG2 VAL 25 7.502 2.574 4.703 157 HA PRO 26 HA PRO 26 10.362 5.246 7.542 158 HB2 PRO 26 1HB PRO 26 12.827 4.189 7.124 159 HB3 PRO 26 2HB PRO 26 12.064 4.246 8.717 160 HG2 PRO 26 1HG PRO 26 12.239 1.969 6.781 161 HG3 PRO 26 2HG PRO 26 12.463 1.962 8.540 162 HD2 PRO 26 1HD PRO 26 10.162 1.157 7.361 163 HD3 PRO 26 2HD PRO 26 10.196 1.938 8.955 164 H SER 27 H SER 27 11.592 6.400 5.934 165 HA SER 27 HA SER 27 10.669 6.035 3.317 166 HB2 SER 27 1HB SER 27 11.407 8.214 4.141 167 HB3 SER 27 2HB SER 27 13.060 7.618 4.293 168 HG SER 27 HG SER 27 11.905 8.686 2.167 169 H THR 28 H THR 28 13.187 4.489 4.990 170 HA THR 28 HA THR 28 14.250 3.418 2.457 171 HB THR 28 HB THR 28 15.890 4.860 3.690 172 HG1 THR 28 1HG THR 28 16.812 2.189 3.729 173 HG21 THR 28 3HG2 THR 28 15.011 3.939 5.961 174 HG22 THR 28 1HG2 THR 28 16.726 4.305 5.781 175 HG23 THR 28 2HG2 THR 28 16.165 2.636 5.676 176 H ALA 29 H ALA 29 12.040 2.408 4.053 177 HA ALA 29 HA ALA 29 12.764 0.267 5.705 178 HB1 ALA 29 3HB ALA 29 10.426 1.391 5.076 179 HB2 ALA 29 1HB ALA 29 10.334 -0.036 4.044 180 HB3 ALA 29 2HB ALA 29 10.551 -0.219 5.785 181 H THR 30 H THR 30 11.870 -2.062 4.947 182 HA THR 30 HA THR 30 13.237 -2.706 2.416 183 HB THR 30 HB THR 30 13.961 -4.844 3.415 184 HG1 THR 30 1HG THR 30 12.745 -5.315 5.122 185 HG21 THR 30 3HG2 THR 30 15.028 -2.904 5.365 186 HG22 THR 30 1HG2 THR 30 15.154 -2.432 3.671 187 HG23 THR 30 2HG2 THR 30 15.875 -3.945 4.221 188 H GLN 31 H GLN 31 12.549 -4.793 1.464 189 HA GLN 31 HA GLN 31 9.844 -4.903 0.970 190 HB2 GLN 31 1HB GLN 31 11.905 -7.103 0.797 191 HB3 GLN 31 2HB GLN 31 10.276 -7.242 0.151 192 HG2 GLN 31 1HG GLN 31 10.924 -5.027 -1.095 193 HG3 GLN 31 2HG GLN 31 12.564 -5.605 -0.807 194 HE21 GLN 31 1HE2 GLN 31 9.434 -6.632 -2.094 195 HE22 GLN 31 2HE2 GLN 31 10.079 -7.660 -3.323 196 H ALA 32 H ALA 32 11.700 -6.682 3.396 197 HA ALA 32 HA ALA 32 9.707 -8.410 4.295 198 HB1 ALA 32 3HB ALA 32 12.290 -7.503 5.223 199 HB2 ALA 32 1HB ALA 32 11.171 -7.756 6.562 200 HB3 ALA 32 2HB ALA 32 11.503 -9.067 5.430 201 H GLN 33 H GLN 33 10.450 -5.087 5.270 202 HA GLN 33 HA GLN 33 8.393 -5.019 7.271 203 HB2 GLN 33 1HB GLN 33 10.032 -2.812 6.016 204 HB3 GLN 33 2HB GLN 33 8.927 -2.586 7.365 205 HG2 GLN 33 1HG GLN 33 10.269 -4.188 8.682 206 HG3 GLN 33 2HG GLN 33 11.410 -4.284 7.342 207 HE21 GLN 33 1HE2 GLN 33 12.449 -2.269 6.687 208 HE22 GLN 33 2HE2 GLN 33 12.800 -1.083 7.894 209 H ILE 34 H ILE 34 8.815 -3.073 4.309 210 HA ILE 34 HA ILE 34 6.426 -1.875 4.073 211 HB ILE 34 HB ILE 34 7.902 -3.260 1.833 212 HG12 ILE 34 1HG1 ILE 34 7.898 -0.348 2.647 213 HG13 ILE 34 2HG1 ILE 34 9.130 -1.502 3.145 214 HG21 ILE 34 1HG2 ILE 34 5.346 -1.979 1.834 215 HG22 ILE 34 2HG2 ILE 34 6.481 -1.025 0.880 216 HG23 ILE 34 3HG2 ILE 34 6.216 -2.725 0.493 217 HD11 ILE 34 3HD1 ILE 34 8.686 -0.204 0.536 218 HD12 ILE 34 1HD1 ILE 34 10.187 -0.650 1.347 219 HD13 ILE 34 2HD1 ILE 34 9.239 -1.878 0.508 220 H LYS 35 H LYS 35 7.050 -5.276 3.366 221 HA LYS 35 HA LYS 35 4.396 -5.804 2.428 222 HB2 LYS 35 1HB LYS 35 6.675 -7.099 2.041 223 HB3 LYS 35 2HB LYS 35 6.156 -7.977 3.474 224 HG2 LYS 35 1HG LYS 35 3.900 -8.148 2.096 225 HG3 LYS 35 2HG LYS 35 5.013 -7.953 0.740 226 HD2 LYS 35 1HD LYS 35 5.070 -10.226 0.946 227 HD3 LYS 35 2HD LYS 35 6.368 -9.805 2.067 228 HE2 LYS 35 1HE LYS 35 4.893 -10.021 3.946 229 HE3 LYS 35 2HE LYS 35 3.499 -10.229 2.888 230 HZ1 LYS 35 3HZ LYS 35 5.589 -12.137 3.604 231 HZ2 LYS 35 1HZ LYS 35 4.973 -12.224 2.030 232 HZ3 LYS 35 2HZ LYS 35 3.935 -12.388 3.356 233 H ALA 36 H ALA 36 6.161 -6.701 5.394 234 HA ALA 36 HA ALA 36 4.140 -7.976 6.757 235 HB1 ALA 36 3HB ALA 36 6.645 -6.690 7.454 236 HB2 ALA 36 1HB ALA 36 5.449 -6.570 8.744 237 HB3 ALA 36 2HB ALA 36 5.904 -8.151 8.106 238 H ALA 37 H ALA 37 4.686 -4.520 6.378 239 HA ALA 37 HA ALA 37 2.826 -3.618 8.289 240 HB1 ALA 37 3HB ALA 37 4.306 -2.441 6.035 241 HB2 ALA 37 1HB ALA 37 2.812 -1.616 6.479 242 HB3 ALA 37 2HB ALA 37 4.081 -1.850 7.682 243 H TYR 38 H TYR 38 2.464 -3.683 4.736 244 HA TYR 38 HA TYR 38 -0.169 -3.023 4.515 245 HB2 TYR 38 1HB TYR 38 1.123 -3.333 2.532 246 HB3 TYR 38 2HB TYR 38 1.433 -5.022 2.918 247 HD1 TYR 38 1HD TYR 38 -1.276 -2.650 1.997 248 HD2 TYR 38 2HD TYR 38 0.002 -6.706 2.133 249 HE1 TYR 38 1HE TYR 38 -3.237 -3.307 0.666 250 HE2 TYR 38 2HE TYR 38 -1.956 -7.374 0.802 251 HH TYR 38 HH TYR 38 -3.750 -5.363 -0.966 252 H TYR 39 H TYR 39 1.168 -6.080 5.563 253 HA TYR 39 HA TYR 39 -1.262 -7.559 5.419 254 HB2 TYR 39 1HB TYR 39 1.436 -7.988 6.612 255 HB3 TYR 39 2HB TYR 39 0.111 -8.990 7.193 256 HD1 TYR 39 2HD TYR 39 1.107 -7.727 3.814 257 HD2 TYR 39 1HD TYR 39 0.197 -11.091 6.255 258 HE1 TYR 39 2HE TYR 39 1.377 -9.205 1.867 259 HE2 TYR 39 1HE TYR 39 0.466 -12.579 4.315 260 HH TYR 39 HH TYR 39 0.342 -11.701 1.293 261 H ARG 40 H ARG 40 0.577 -6.686 8.345 262 HA ARG 40 HA ARG 40 -1.324 -7.128 10.235 263 HB2 ARG 40 1HB ARG 40 -0.186 -5.547 11.658 264 HB3 ARG 40 2HB ARG 40 1.008 -6.393 10.682 265 HG2 ARG 40 1HG ARG 40 1.338 -4.514 9.287 266 HG3 ARG 40 2HG ARG 40 -0.079 -3.692 9.944 267 HD2 ARG 40 1HD ARG 40 1.686 -2.636 11.021 268 HD3 ARG 40 2HD ARG 40 1.163 -3.838 12.200 269 HE ARG 40 HE ARG 40 3.108 -5.114 10.806 270 HH11 ARG 40 1HH1 ARG 40 2.940 -2.068 12.483 271 HH12 ARG 40 2HH1 ARG 40 4.619 -2.062 12.911 272 HH21 ARG 40 1HH2 ARG 40 5.320 -5.118 11.363 273 HH22 ARG 40 2HH2 ARG 40 5.972 -3.797 12.272 274 H GLN 41 H GLN 41 -1.155 -4.427 8.018 275 HA GLN 41 HA GLN 41 -2.925 -2.657 9.226 276 HB2 GLN 41 1HB GLN 41 -2.232 -3.211 6.357 277 HB3 GLN 41 2HB GLN 41 -3.457 -2.018 6.768 278 HG2 GLN 41 1HG GLN 41 -0.563 -1.994 7.587 279 HG3 GLN 41 2HG GLN 41 -1.353 -0.920 6.435 280 HE21 GLN 41 1HE2 GLN 41 -0.060 -0.882 9.327 281 HE22 GLN 41 2HE2 GLN 41 -1.084 0.239 10.151 282 H CYS 42 H CYS 42 -3.620 -5.287 6.935 283 HA CYS 42 HA CYS 42 -6.357 -4.936 6.695 284 HB2 CYS 42 1HB CYS 42 -5.177 -6.502 5.284 285 HB3 CYS 42 2HB CYS 42 -4.737 -7.488 6.674 286 HG CYS 42 HG CYS 42 -7.629 -7.903 7.178 287 H PHE 43 H PHE 43 -4.546 -6.742 9.145 288 HA PHE 43 HA PHE 43 -6.691 -7.892 10.496 289 HB2 PHE 43 1HB PHE 43 -4.506 -8.632 11.055 290 HB3 PHE 43 2HB PHE 43 -3.971 -7.000 11.442 291 HD1 PHE 43 1HD PHE 43 -4.964 -5.864 13.474 292 HD2 PHE 43 2HD PHE 43 -5.387 -10.029 12.701 293 HE1 PHE 43 1HE PHE 43 -5.514 -6.244 15.842 294 HE2 PHE 43 2HE PHE 43 -5.938 -10.415 15.068 295 HZ PHE 43 HZ PHE 43 -6.003 -8.522 16.642 296 H LEU 44 H LEU 44 -4.984 -4.866 11.304 297 HA LEU 44 HA LEU 44 -6.348 -3.961 13.436 298 HB2 LEU 44 1HB LEU 44 -5.246 -2.577 11.048 299 HB3 LEU 44 2HB LEU 44 -6.232 -1.638 12.167 300 HG LEU 44 HG LEU 44 -3.885 -3.223 13.150 301 HD11 LEU 44 1HD1 LEU 44 -2.957 -1.888 11.391 302 HD12 LEU 44 2HD1 LEU 44 -2.549 -1.138 12.934 303 HD13 LEU 44 3HD1 LEU 44 -3.841 -0.464 11.940 304 HD21 LEU 44 3HD2 LEU 44 -5.688 -2.137 14.630 305 HD22 LEU 44 1HD2 LEU 44 -4.936 -0.608 14.173 306 HD23 LEU 44 2HD2 LEU 44 -3.994 -1.837 15.018 307 H TYR 45 H TYR 45 -7.473 -3.659 10.079 308 HA TYR 45 HA TYR 45 -10.124 -2.898 11.098 309 HB2 TYR 45 1HB TYR 45 -9.001 -2.610 8.304 310 HB3 TYR 45 2HB TYR 45 -10.575 -2.040 8.848 311 HD1 TYR 45 2HD TYR 45 -6.950 -1.676 9.677 312 HD2 TYR 45 1HD TYR 45 -10.781 0.166 9.508 313 HE1 TYR 45 2HE TYR 45 -5.940 0.470 10.328 314 HE2 TYR 45 1HE TYR 45 -9.782 2.318 10.157 315 HH TYR 45 HH TYR 45 -6.367 2.572 11.017 316 H HIS 46 H HIS 46 -10.848 -4.977 11.609 317 HA HIS 46 HA HIS 46 -10.751 -7.152 9.781 318 HB2 HIS 46 1HB HIS 46 -11.157 -7.065 12.399 319 HB3 HIS 46 2HB HIS 46 -12.846 -7.023 11.904 320 HD2 HIS 46 2HD HIS 46 -9.828 -9.371 10.826 321 HE1 HIS 46 1HE HIS 46 -13.299 -11.704 11.539 322 HE2 HIS 46 2HE HIS 46 -10.852 -11.744 10.944 323 HA PRO 47 HA PRO 47 -14.098 -6.120 7.107 324 HB2 PRO 47 1HB PRO 47 -14.635 -8.603 6.150 325 HB3 PRO 47 2HB PRO 47 -13.215 -7.671 5.660 326 HG2 PRO 47 1HG PRO 47 -13.433 -9.871 7.679 327 HG3 PRO 47 2HG PRO 47 -12.183 -9.598 6.452 328 HD2 PRO 47 1HD PRO 47 -11.841 -8.933 9.054 329 HD3 PRO 47 2HD PRO 47 -11.099 -8.015 7.728 330 H ASP 48 H ASP 48 -14.544 -9.017 9.135 331 HA ASP 48 HA ASP 48 -17.343 -9.088 9.016 332 HB2 ASP 48 1HB ASP 48 -15.783 -10.900 9.874 333 HB3 ASP 48 2HB ASP 48 -15.692 -9.987 11.378 334 H ARG 49 H ARG 49 -15.199 -7.669 11.479 335 HA ARG 49 HA ARG 49 -17.102 -6.701 13.226 336 HB2 ARG 49 1HB ARG 49 -14.500 -5.370 12.451 337 HB3 ARG 49 2HB ARG 49 -15.429 -5.033 13.905 338 HG2 ARG 49 1HG ARG 49 -14.391 -7.779 13.299 339 HG3 ARG 49 2HG ARG 49 -13.406 -6.565 14.118 340 HD2 ARG 49 1HD ARG 49 -15.498 -6.343 15.669 341 HD3 ARG 49 2HD ARG 49 -15.884 -7.948 15.049 342 HE ARG 49 HE ARG 49 -13.239 -8.013 15.882 343 HH11 ARG 49 1HH1 ARG 49 -16.384 -7.513 17.288 344 HH12 ARG 49 2HH1 ARG 49 -15.937 -8.149 18.836 345 HH21 ARG 49 1HH2 ARG 49 -12.638 -8.853 17.916 346 HH22 ARG 49 2HH2 ARG 49 -13.806 -8.910 19.193 347 H ASN 50 H ASN 50 -15.679 -4.996 10.440 348 HA ASN 50 HA ASN 50 -17.879 -3.052 10.595 349 HB2 ASN 50 1HB ASN 50 -15.409 -2.703 8.914 350 HB3 ASN 50 2HB ASN 50 -16.496 -1.469 9.545 351 HD21 ASN 50 1HD2 ASN 50 -13.741 -3.416 10.139 352 HD22 ASN 50 2HD2 ASN 50 -13.337 -2.765 11.688 353 H SER 51 H SER 51 -19.501 -4.016 9.458 354 HA SER 51 HA SER 51 -18.990 -5.273 6.905 355 HB2 SER 51 1HB SER 51 -20.690 -6.226 8.378 356 HB3 SER 51 2HB SER 51 -21.588 -4.709 8.354 357 HG SER 51 HG SER 51 -21.943 -6.678 6.744 358 H GLY 52 H GLY 52 -18.114 -3.418 5.804 359 HA2 GLY 52 1HA GLY 52 -18.362 -1.815 4.165 360 HA3 GLY 52 2HA GLY 52 -20.102 -2.021 4.298 361 H SER 53 H SER 53 -17.539 -0.863 6.492 362 HA SER 53 HA SER 53 -19.272 1.190 7.523 363 HB2 SER 53 1HB SER 53 -16.513 0.218 8.115 364 HB3 SER 53 2HB SER 53 -16.941 1.851 8.626 365 HG SER 53 HG SER 53 -18.755 -0.184 9.196 366 H ALA 54 H ALA 54 -18.893 3.447 7.417 367 HA ALA 54 HA ALA 54 -17.950 4.318 4.837 368 HB1 ALA 54 3HB ALA 54 -19.628 5.389 6.954 369 HB2 ALA 54 1HB ALA 54 -18.539 6.597 6.271 370 HB3 ALA 54 2HB ALA 54 -19.646 5.713 5.220 371 H GLU 55 H GLU 55 -16.973 4.735 8.213 372 HA GLU 55 HA GLU 55 -14.832 6.521 7.654 373 HB2 GLU 55 1HB GLU 55 -15.491 4.795 10.038 374 HB3 GLU 55 2HB GLU 55 -14.074 5.834 9.987 375 HG2 GLU 55 1HG GLU 55 -15.636 7.752 9.525 376 HG3 GLU 55 2HG GLU 55 -16.962 6.652 9.896 377 H ALA 56 H ALA 56 -15.011 3.024 8.213 378 HA ALA 56 HA ALA 56 -12.170 2.701 7.742 379 HB1 ALA 56 3HB ALA 56 -12.507 0.387 8.251 380 HB2 ALA 56 1HB ALA 56 -13.410 1.345 9.424 381 HB3 ALA 56 2HB ALA 56 -14.255 0.555 8.093 382 H ALA 57 H ALA 57 -14.240 3.600 5.650 383 HA ALA 57 HA ALA 57 -13.884 1.497 3.647 384 HB1 ALA 57 3HB ALA 57 -15.264 3.580 2.448 385 HB2 ALA 57 1HB ALA 57 -15.961 2.113 3.138 386 HB3 ALA 57 2HB ALA 57 -15.843 3.578 4.114 387 H GLU 58 H GLU 58 -13.597 5.058 3.680 388 HA GLU 58 HA GLU 58 -12.097 5.332 1.376 389 HB2 GLU 58 1HB GLU 58 -11.327 7.490 2.323 390 HB3 GLU 58 2HB GLU 58 -13.062 7.252 2.481 391 HG2 GLU 58 1HG GLU 58 -12.527 6.389 4.836 392 HG3 GLU 58 2HG GLU 58 -10.952 7.145 4.600 393 H ARG 59 H ARG 59 -10.900 5.037 4.716 394 HA ARG 59 HA ARG 59 -8.183 5.173 4.207 395 HB2 ARG 59 1HB ARG 59 -9.144 5.172 6.466 396 HB3 ARG 59 2HB ARG 59 -9.590 3.481 6.280 397 HG2 ARG 59 1HG ARG 59 -7.651 3.339 7.507 398 HG3 ARG 59 2HG ARG 59 -7.057 3.122 5.859 399 HD2 ARG 59 1HD ARG 59 -5.637 4.666 7.094 400 HD3 ARG 59 2HD ARG 59 -6.453 5.490 5.766 401 HE ARG 59 HE ARG 59 -8.072 5.888 7.934 402 HH11 ARG 59 1HH1 ARG 59 -4.731 6.522 7.186 403 HH12 ARG 59 2HH1 ARG 59 -4.632 7.917 8.209 404 HH21 ARG 59 1HH2 ARG 59 -7.954 7.723 9.283 405 HH22 ARG 59 2HH2 ARG 59 -6.465 8.599 9.402 406 H PHE 60 H PHE 60 -10.136 2.201 4.515 407 HA PHE 60 HA PHE 60 -8.286 0.295 3.962 408 HB2 PHE 60 1HB PHE 60 -10.879 0.135 4.322 409 HB3 PHE 60 2HB PHE 60 -10.929 0.117 2.562 410 HD1 PHE 60 1HD PHE 60 -8.853 -1.499 5.214 411 HD2 PHE 60 2HD PHE 60 -11.147 -1.970 1.660 412 HE1 PHE 60 1HE PHE 60 -8.377 -3.913 5.232 413 HE2 PHE 60 2HE PHE 60 -10.675 -4.385 1.672 414 HZ PHE 60 HZ PHE 60 -9.290 -5.360 3.460 415 H THR 61 H THR 61 -9.989 2.290 1.582 416 HA THR 61 HA THR 61 -8.907 1.072 -0.717 417 HB THR 61 HB THR 61 -9.870 3.920 -0.389 418 HG1 THR 61 1HG THR 61 -11.842 3.130 -0.647 419 HG21 THR 61 3HG2 THR 61 -9.966 4.096 -2.706 420 HG22 THR 61 1HG2 THR 61 -9.896 2.350 -2.942 421 HG23 THR 61 2HG2 THR 61 -8.450 3.232 -2.450 422 H ARG 62 H ARG 62 -7.831 3.814 1.242 423 HA ARG 62 HA ARG 62 -5.688 4.583 -0.433 424 HB2 ARG 62 1HB ARG 62 -6.214 5.017 2.507 425 HB3 ARG 62 2HB ARG 62 -4.828 5.705 1.672 426 HG2 ARG 62 1HG ARG 62 -6.641 6.644 0.045 427 HG3 ARG 62 2HG ARG 62 -7.718 6.374 1.416 428 HD2 ARG 62 1HD ARG 62 -6.351 7.782 2.821 429 HD3 ARG 62 2HD ARG 62 -5.160 7.964 1.534 430 HE ARG 62 HE ARG 62 -6.528 9.513 0.514 431 HH11 ARG 62 1HH1 ARG 62 -8.239 7.934 3.102 432 HH12 ARG 62 2HH1 ARG 62 -9.571 9.041 3.071 433 HH21 ARG 62 1HH2 ARG 62 -8.276 10.976 0.464 434 HH22 ARG 62 2HH2 ARG 62 -9.592 10.770 1.569 435 H ILE 63 H ILE 63 -5.707 2.701 2.597 436 HA ILE 63 HA ILE 63 -3.103 2.088 2.928 437 HB ILE 63 HB ILE 63 -5.380 0.115 3.135 438 HG12 ILE 63 1HG1 ILE 63 -4.086 1.747 5.323 439 HG13 ILE 63 2HG1 ILE 63 -5.530 2.271 4.463 440 HG21 ILE 63 1HG2 ILE 63 -2.508 -0.089 3.735 441 HG22 ILE 63 2HG2 ILE 63 -3.590 -0.662 5.003 442 HG23 ILE 63 3HG2 ILE 63 -3.689 -1.351 3.382 443 HD11 ILE 63 3HD1 ILE 63 -5.320 -0.307 5.996 444 HD12 ILE 63 1HD1 ILE 63 -5.975 1.194 6.650 445 HD13 ILE 63 2HD1 ILE 63 -6.771 0.404 5.288 446 H SER 64 H SER 64 -5.291 0.407 0.686 447 HA SER 64 HA SER 64 -3.566 -1.519 -0.283 448 HB2 SER 64 1HB SER 64 -5.938 -0.099 -1.390 449 HB3 SER 64 2HB SER 64 -4.947 -1.023 -2.518 450 HG SER 64 HG SER 64 -6.420 -1.918 -0.296 451 H GLN 65 H GLN 65 -4.096 1.746 -1.607 452 HA GLN 65 HA GLN 65 -2.377 1.739 -3.722 453 HB2 GLN 65 1HB GLN 65 -2.686 4.011 -1.753 454 HB3 GLN 65 2HB GLN 65 -2.124 4.147 -3.414 455 HG2 GLN 65 1HG GLN 65 -4.445 3.035 -3.943 456 HG3 GLN 65 2HG GLN 65 -4.868 3.701 -2.367 457 HE21 GLN 65 1HE2 GLN 65 -6.402 4.928 -3.703 458 HE22 GLN 65 2HE2 GLN 65 -5.869 6.410 -4.413 459 H ALA 66 H ALA 66 -1.511 2.434 -0.344 460 HA ALA 66 HA ALA 66 1.168 2.998 -0.644 461 HB1 ALA 66 3HB ALA 66 -0.310 1.615 1.575 462 HB2 ALA 66 1HB ALA 66 1.410 1.993 1.679 463 HB3 ALA 66 2HB ALA 66 0.230 3.292 1.491 464 H TYR 67 H TYR 67 -0.446 -0.102 -0.774 465 HA TYR 67 HA TYR 67 2.081 -1.548 -0.832 466 HB2 TYR 67 1HB TYR 67 -0.070 -2.344 0.348 467 HB3 TYR 67 2HB TYR 67 -0.639 -2.762 -1.264 468 HD1 TYR 67 1HD TYR 67 2.713 -3.115 0.347 469 HD2 TYR 67 2HD TYR 67 -0.611 -5.067 -1.454 470 HE1 TYR 67 1HE TYR 67 3.904 -5.262 0.490 471 HE2 TYR 67 2HE TYR 67 0.570 -7.220 -1.315 472 HH TYR 67 HH TYR 67 2.523 -8.147 0.299 473 H VAL 68 H VAL 68 1.307 0.344 -2.973 474 HA VAL 68 HA VAL 68 1.453 -1.541 -5.233 475 HB VAL 68 HB VAL 68 0.005 1.111 -5.206 476 HG11 VAL 68 1HG1 VAL 68 1.269 0.145 -7.338 477 HG12 VAL 68 2HG1 VAL 68 -0.221 -0.791 -7.468 478 HG13 VAL 68 3HG1 VAL 68 -0.284 0.972 -7.456 479 HG21 VAL 68 3HG2 VAL 68 -0.840 -1.622 -4.678 480 HG22 VAL 68 1HG2 VAL 68 -1.678 -0.100 -4.377 481 HG23 VAL 68 2HG2 VAL 68 -1.769 -0.858 -5.967 482 H VAL 69 H VAL 69 1.875 1.943 -4.569 483 HA VAL 69 HA VAL 69 3.840 2.336 -6.547 484 HB VAL 69 HB VAL 69 3.336 3.953 -4.045 485 HG11 VAL 69 1HG1 VAL 69 4.626 4.920 -6.580 486 HG12 VAL 69 2HG1 VAL 69 4.585 5.700 -4.997 487 HG13 VAL 69 3HG1 VAL 69 5.565 4.254 -5.244 488 HG21 VAL 69 3HG2 VAL 69 1.368 4.316 -5.076 489 HG22 VAL 69 1HG2 VAL 69 2.315 5.391 -6.104 490 HG23 VAL 69 2HG2 VAL 69 1.963 3.747 -6.635 491 H LEU 70 H LEU 70 4.057 1.547 -3.117 492 HA LEU 70 HA LEU 70 6.964 1.623 -3.189 493 HB2 LEU 70 1HB LEU 70 5.194 0.747 -0.918 494 HB3 LEU 70 2HB LEU 70 6.886 1.233 -0.837 495 HG LEU 70 HG LEU 70 4.721 3.147 -1.665 496 HD11 LEU 70 1HD1 LEU 70 4.955 1.935 0.866 497 HD12 LEU 70 2HD1 LEU 70 3.955 3.312 0.406 498 HD13 LEU 70 3HD1 LEU 70 5.586 3.575 1.022 499 HD21 LEU 70 3HD2 LEU 70 6.981 3.817 -2.198 500 HD22 LEU 70 1HD2 LEU 70 7.501 3.487 -0.545 501 HD23 LEU 70 2HD2 LEU 70 6.370 4.801 -0.868 502 H GLY 71 H GLY 71 4.357 -0.687 -3.273 503 HA2 GLY 71 1HA GLY 71 5.429 -3.041 -2.463 504 HA3 GLY 71 2HA GLY 71 4.415 -2.913 -3.893 505 H SER 72 H SER 72 6.457 -1.180 -5.217 506 HA SER 72 HA SER 72 8.526 -3.206 -5.740 507 HB2 SER 72 1HB SER 72 7.077 -3.478 -7.586 508 HB3 SER 72 2HB SER 72 6.803 -1.742 -7.734 509 HG SER 72 HG SER 72 9.274 -3.059 -8.209 510 H ALA 73 H ALA 73 10.512 -2.424 -5.556 511 HA ALA 73 HA ALA 73 11.196 0.103 -4.766 512 HB1 ALA 73 3HB ALA 73 13.139 -1.261 -6.539 513 HB2 ALA 73 1HB ALA 73 13.362 -0.556 -4.938 514 HB3 ALA 73 2HB ALA 73 12.593 -2.135 -5.108 515 H THR 74 H THR 74 11.690 -1.092 -8.095 516 HA THR 74 HA THR 74 12.497 1.072 -9.423 517 HB THR 74 HB THR 74 10.179 -0.590 -10.426 518 HG1 THR 74 1HG THR 74 12.181 -1.680 -11.432 519 HG21 THR 74 3HG2 THR 74 10.511 1.223 -11.905 520 HG22 THR 74 1HG2 THR 74 11.357 -0.139 -12.638 521 HG23 THR 74 2HG2 THR 74 12.266 1.105 -11.781 522 H LEU 75 H LEU 75 9.007 0.462 -8.968 523 HA LEU 75 HA LEU 75 7.926 2.726 -9.966 524 HB2 LEU 75 1HB LEU 75 7.129 1.501 -7.330 525 HB3 LEU 75 2HB LEU 75 6.117 2.509 -8.361 526 HG LEU 75 HG LEU 75 7.132 -0.252 -9.032 527 HD11 LEU 75 1HD1 LEU 75 4.357 0.711 -8.356 528 HD12 LEU 75 2HD1 LEU 75 5.401 -0.237 -7.299 529 HD13 LEU 75 3HD1 LEU 75 4.812 -0.931 -8.809 530 HD21 LEU 75 3HD2 LEU 75 5.875 -0.109 -11.037 531 HD22 LEU 75 1HD2 LEU 75 6.865 1.349 -10.957 532 HD23 LEU 75 2HD2 LEU 75 5.149 1.425 -10.554 533 H ARG 76 H ARG 76 8.792 2.456 -6.512 534 HA ARG 76 HA ARG 76 8.408 4.956 -5.622 535 HB2 ARG 76 1HB ARG 76 10.624 3.017 -5.076 536 HB3 ARG 76 2HB ARG 76 10.673 4.613 -4.339 537 HG2 ARG 76 1HG ARG 76 8.850 4.208 -3.007 538 HG3 ARG 76 2HG ARG 76 8.191 2.988 -4.098 539 HD2 ARG 76 1HD ARG 76 8.965 1.626 -2.442 540 HD3 ARG 76 2HD ARG 76 10.416 1.720 -3.439 541 HE ARG 76 HE ARG 76 10.280 3.744 -1.404 542 HH11 ARG 76 1HH1 ARG 76 11.223 0.472 -2.128 543 HH12 ARG 76 2HH1 ARG 76 12.394 0.389 -0.854 544 HH21 ARG 76 1HH2 ARG 76 11.819 3.647 0.277 545 HH22 ARG 76 2HH2 ARG 76 12.731 2.196 0.514 546 H ARG 77 H ARG 77 11.380 3.943 -7.310 547 HA ARG 77 HA ARG 77 12.558 6.500 -7.376 548 HB2 ARG 77 1HB ARG 77 12.981 4.222 -9.318 549 HB3 ARG 77 2HB ARG 77 14.072 5.573 -9.038 550 HG2 ARG 77 1HG ARG 77 14.805 4.746 -7.028 551 HG3 ARG 77 2HG ARG 77 13.331 3.815 -6.752 552 HD2 ARG 77 1HD ARG 77 15.207 2.344 -7.251 553 HD3 ARG 77 2HD ARG 77 13.984 2.257 -8.519 554 HE ARG 77 HE ARG 77 15.745 4.135 -9.412 555 HH11 ARG 77 1HH1 ARG 77 16.014 0.828 -8.357 556 HH12 ARG 77 2HH1 ARG 77 17.368 0.476 -9.379 557 HH21 ARG 77 1HH2 ARG 77 17.527 3.683 -10.761 558 HH22 ARG 77 2HH2 ARG 77 18.228 2.100 -10.745 559 H LYS 78 H LYS 78 10.360 4.844 -9.566 560 HA LYS 78 HA LYS 78 10.541 6.600 -11.747 561 HB2 LYS 78 1HB LYS 78 8.183 4.955 -10.811 562 HB3 LYS 78 2HB LYS 78 8.325 5.710 -12.393 563 HG2 LYS 78 1HG LYS 78 10.524 4.328 -12.553 564 HG3 LYS 78 2HG LYS 78 9.780 3.358 -11.279 565 HD2 LYS 78 1HD LYS 78 8.978 2.250 -13.106 566 HD3 LYS 78 2HD LYS 78 7.705 3.459 -12.925 567 HE2 LYS 78 1HE LYS 78 8.156 3.697 -15.152 568 HE3 LYS 78 2HE LYS 78 9.298 4.865 -14.488 569 HZ1 LYS 78 3HZ LYS 78 10.780 3.741 -15.706 570 HZ2 LYS 78 1HZ LYS 78 9.798 2.370 -15.850 571 HZ3 LYS 78 2HZ LYS 78 10.735 2.596 -14.461 572 H TYR 79 H TYR 79 8.021 6.479 -9.221 573 HA TYR 79 HA TYR 79 6.618 8.740 -9.899 574 HB2 TYR 79 1HB TYR 79 6.065 7.080 -8.076 575 HB3 TYR 79 2HB TYR 79 7.206 7.938 -7.047 576 HD1 TYR 79 1HD TYR 79 4.408 8.884 -9.350 577 HD2 TYR 79 2HD TYR 79 6.217 9.350 -5.527 578 HE1 TYR 79 1HE TYR 79 2.632 10.461 -8.709 579 HE2 TYR 79 2HE TYR 79 4.446 10.927 -4.875 580 HH TYR 79 HH TYR 79 1.583 11.255 -6.504 581 H ASP 80 H ASP 80 9.611 8.504 -8.057 582 HA ASP 80 HA ASP 80 9.795 11.104 -7.097 583 HB2 ASP 80 1HB ASP 80 11.339 9.304 -6.446 584 HB3 ASP 80 2HB ASP 80 12.044 9.323 -8.060 585 H ARG 81 H ARG 81 10.903 9.789 -10.207 586 HA ARG 81 HA ARG 81 11.598 12.465 -11.127 587 HB2 ARG 81 1HB ARG 81 11.744 10.054 -12.886 588 HB3 ARG 81 2HB ARG 81 12.797 11.460 -12.829 589 HG2 ARG 81 1HG ARG 81 12.694 9.317 -10.718 590 HG3 ARG 81 2HG ARG 81 13.871 9.385 -12.031 591 HD2 ARG 81 1HD ARG 81 13.471 11.493 -9.911 592 HD3 ARG 81 2HD ARG 81 14.772 10.303 -9.943 593 HE ARG 81 HE ARG 81 14.586 11.977 -12.292 594 HH11 ARG 81 1HH1 ARG 81 15.988 11.542 -9.135 595 HH12 ARG 81 2HH1 ARG 81 17.338 12.581 -9.448 596 HH21 ARG 81 1HH2 ARG 81 16.359 13.347 -12.716 597 HH22 ARG 81 2HH2 ARG 81 17.548 13.608 -11.485 598 H GLY 82 H GLY 82 8.785 11.076 -10.752 599 HA2 GLY 82 1HA GLY 82 6.717 11.489 -11.678 600 HA3 GLY 82 2HA GLY 82 7.505 12.579 -12.809 601 H LEU 83 H LEU 83 8.730 9.379 -12.671 602 HA LEU 83 HA LEU 83 7.948 8.900 -15.392 603 HB2 LEU 83 1HB LEU 83 9.374 7.147 -13.398 604 HB3 LEU 83 2HB LEU 83 9.158 6.763 -15.104 605 HG LEU 83 HG LEU 83 10.565 9.280 -14.308 606 HD11 LEU 83 1HD1 LEU 83 12.048 8.048 -13.160 607 HD12 LEU 83 2HD1 LEU 83 12.613 7.563 -14.758 608 HD13 LEU 83 3HD1 LEU 83 11.494 6.531 -13.868 609 HD21 LEU 83 3HD2 LEU 83 10.018 9.020 -16.636 610 HD22 LEU 83 1HD2 LEU 83 10.721 7.403 -16.663 611 HD23 LEU 83 2HD2 LEU 83 11.758 8.811 -16.432 612 H LEU 84 H LEU 84 6.739 8.064 -12.272 613 HA LEU 84 HA LEU 84 5.188 5.808 -13.162 614 HB2 LEU 84 1HB LEU 84 6.071 6.110 -10.836 615 HB3 LEU 84 2HB LEU 84 4.883 7.394 -10.619 616 HG LEU 84 HG LEU 84 3.224 5.437 -11.335 617 HD11 LEU 84 1HD1 LEU 84 4.058 3.385 -11.278 618 HD12 LEU 84 2HD1 LEU 84 4.708 3.650 -9.661 619 HD13 LEU 84 3HD1 LEU 84 5.667 4.077 -11.078 620 HD21 LEU 84 3HD2 LEU 84 4.243 6.465 -8.792 621 HD22 LEU 84 1HD2 LEU 84 3.477 4.880 -8.676 622 HD23 LEU 84 2HD2 LEU 84 2.583 6.245 -9.347 623 H SER 85 H SER 85 3.225 5.840 -14.040 624 HA SER 85 HA SER 85 1.718 8.371 -13.973 625 HB2 SER 85 1HB SER 85 2.539 7.671 -16.226 626 HB3 SER 85 2HB SER 85 1.572 6.203 -16.081 627 HG SER 85 HG SER 85 -0.262 7.388 -16.186 628 H ASP 86 H ASP 86 -0.616 8.207 -13.963 629 HA ASP 86 HA ASP 86 -1.719 6.796 -11.940 630 HB2 ASP 86 1HB ASP 86 -3.903 6.896 -13.396 631 HB3 ASP 86 2HB ASP 86 -3.153 8.382 -12.819 632 H GLU 87 H GLU 87 -1.560 5.705 -15.318 633 HA GLU 87 HA GLU 87 -2.949 3.413 -15.346 634 HB2 GLU 87 1HB GLU 87 -1.447 4.313 -17.170 635 HB3 GLU 87 2HB GLU 87 -0.108 3.511 -16.361 636 HG2 GLU 87 1HG GLU 87 -2.567 2.124 -17.402 637 HG3 GLU 87 2HG GLU 87 -1.023 2.219 -18.246 638 H ASP 88 H ASP 88 0.224 3.810 -13.834 639 HA ASP 88 HA ASP 88 0.493 1.090 -13.049 640 HB2 ASP 88 1HB ASP 88 1.907 3.642 -12.453 641 HB3 ASP 88 2HB ASP 88 2.133 2.306 -11.327 642 H LEU 89 H LEU 89 -0.340 4.028 -11.208 643 HA LEU 89 HA LEU 89 -0.750 3.035 -8.722 644 HB2 LEU 89 1HB LEU 89 -2.198 5.114 -10.297 645 HB3 LEU 89 2HB LEU 89 -2.797 4.669 -8.700 646 HG LEU 89 HG LEU 89 0.069 5.433 -8.984 647 HD11 LEU 89 1HD1 LEU 89 -0.465 7.393 -9.909 648 HD12 LEU 89 2HD1 LEU 89 -1.152 7.798 -8.336 649 HD13 LEU 89 3HD1 LEU 89 -2.189 7.167 -9.615 650 HD21 LEU 89 3HD2 LEU 89 -0.435 4.791 -6.821 651 HD22 LEU 89 1HD2 LEU 89 -2.052 5.492 -6.877 652 HD23 LEU 89 2HD2 LEU 89 -0.641 6.542 -6.746 653 H ARG 90 H ARG 90 -3.274 3.120 -11.243 654 HA ARG 90 HA ARG 90 -5.160 1.626 -9.775 655 HB2 ARG 90 1HB ARG 90 -6.325 1.354 -11.928 656 HB3 ARG 90 2HB ARG 90 -5.823 3.017 -11.656 657 HG2 ARG 90 1HG ARG 90 -3.844 2.584 -13.105 658 HG3 ARG 90 2HG ARG 90 -4.528 1.000 -13.472 659 HD2 ARG 90 1HD ARG 90 -6.117 3.509 -13.877 660 HD3 ARG 90 2HD ARG 90 -4.977 2.948 -15.099 661 HE ARG 90 HE ARG 90 -6.401 1.203 -15.600 662 HH11 ARG 90 1HH1 ARG 90 -7.485 2.850 -12.731 663 HH12 ARG 90 2HH1 ARG 90 -9.023 2.053 -12.697 664 HH21 ARG 90 1HH2 ARG 90 -8.422 0.148 -15.567 665 HH22 ARG 90 2HH2 ARG 90 -9.555 0.516 -14.310 666 H GLY 91 H GLY 91 -2.818 0.673 -12.273 667 HA2 GLY 91 1HA GLY 91 -1.723 -1.536 -11.671 668 HA3 GLY 91 2HA GLY 91 -3.369 -2.146 -11.589 669 HA PRO 92 HA PRO 92 -1.531 -2.602 -15.917 670 HB2 PRO 92 1HB PRO 92 -1.465 -5.316 -15.963 671 HB3 PRO 92 2HB PRO 92 -0.113 -4.332 -15.389 672 HG2 PRO 92 1HG PRO 92 -2.224 -5.754 -13.814 673 HG3 PRO 92 2HG PRO 92 -0.480 -5.652 -13.511 674 HD2 PRO 92 1HD PRO 92 -2.280 -4.124 -12.186 675 HD3 PRO 92 2HD PRO 92 -0.640 -3.558 -12.561 676 H GLY 93 H GLY 93 -4.277 -3.422 -14.148 677 HA2 GLY 93 1HA GLY 93 -6.448 -3.250 -15.142 678 HA3 GLY 93 2HA GLY 93 -5.771 -3.868 -16.642 679 H SER 94 H SER 94 -7.511 -5.389 -16.697 680 HA SER 94 HA SER 94 -6.833 -7.860 -15.370 681 HB2 SER 94 1HB SER 94 -8.986 -8.209 -14.302 682 HB3 SER 94 2HB SER 94 -8.281 -6.708 -13.701 683 HG SER 94 HG SER 94 -10.224 -6.013 -14.226 684 H GLY 95 H GLY 95 -7.498 -9.637 -16.502 685 HA2 GLY 95 1HA GLY 95 -9.048 -9.082 -18.956 686 HA3 GLY 95 2HA GLY 95 -7.761 -10.275 -18.856 687 HA PRO 96 HA PRO 96 -12.123 -11.932 -17.639 688 HB2 PRO 96 1HB PRO 96 -13.128 -12.641 -20.059 689 HB3 PRO 96 2HB PRO 96 -13.434 -11.067 -19.316 690 HG2 PRO 96 1HG PRO 96 -11.449 -11.811 -21.430 691 HG3 PRO 96 2HG PRO 96 -12.503 -10.388 -21.336 692 HD2 PRO 96 1HD PRO 96 -9.882 -10.306 -20.661 693 HD3 PRO 96 2HD PRO 96 -11.105 -9.292 -19.868 694 H SER 97 H SER 97 -12.931 -14.202 -18.202 695 HA SER 97 HA SER 97 -10.622 -15.949 -18.301 696 HB2 SER 97 1HB SER 97 -13.557 -16.518 -17.833 697 HB3 SER 97 2HB SER 97 -12.283 -17.736 -17.762 698 HG SER 97 HG SER 97 -11.325 -16.482 -16.079 699 H SER 98 H SER 98 -10.894 -18.062 -19.550 700 HA SER 98 HA SER 98 -11.742 -17.391 -22.284 701 HB2 SER 98 1HB SER 98 -9.411 -17.887 -22.246 702 HB3 SER 98 2HB SER 98 -9.659 -19.309 -21.234 703 HG SER 98 HG SER 98 -9.507 -20.180 -23.194 704 H GLY 99 H GLY 99 -13.431 -18.407 -23.139 705 HA2 GLY 99 1HA GLY 99 -14.075 -21.040 -23.155 706 HA3 GLY 99 2HA GLY 99 -14.770 -20.480 -21.641 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 5.437 5.772 31.195 2 HA2 GLY 1 1HA GLY 1 4.557 6.579 29.235 3 HA3 GLY 1 2HA GLY 1 5.978 5.916 28.440 4 H SER 2 H SER 2 3.009 4.677 29.985 5 HA SER 2 HA SER 2 2.898 2.371 28.330 6 HB2 SER 2 1HB SER 2 0.683 3.643 29.955 7 HB3 SER 2 2HB SER 2 0.698 1.995 29.327 8 HG SER 2 HG SER 2 1.621 2.813 31.633 9 H SER 3 H SER 3 3.101 3.274 26.212 10 HA SER 3 HA SER 3 2.378 4.243 24.261 11 HB2 SER 3 1HB SER 3 -0.122 2.821 25.204 12 HB3 SER 3 2HB SER 3 0.128 3.417 23.563 13 HG SER 3 HG SER 3 2.223 2.039 23.938 14 H GLY 4 H GLY 4 2.418 6.171 26.180 15 HA2 GLY 4 1HA GLY 4 0.048 7.768 25.459 16 HA3 GLY 4 2HA GLY 4 0.590 7.700 27.130 17 H SER 5 H SER 5 1.489 9.579 27.639 18 HA SER 5 HA SER 5 2.555 11.603 27.372 19 HB2 SER 5 1HB SER 5 4.506 9.436 26.702 20 HB3 SER 5 2HB SER 5 5.010 11.116 26.520 21 HG SER 5 HG SER 5 3.941 11.161 28.810 22 H SER 6 H SER 6 0.846 11.189 25.223 23 HA SER 6 HA SER 6 2.330 11.804 22.797 24 HB2 SER 6 1HB SER 6 -0.663 11.594 23.203 25 HB3 SER 6 2HB SER 6 0.188 11.637 21.659 26 HG SER 6 HG SER 6 0.593 9.635 23.626 27 H GLY 7 H GLY 7 1.269 13.598 21.391 28 HA2 GLY 7 1HA GLY 7 -0.108 15.758 22.086 29 HA3 GLY 7 2HA GLY 7 1.369 16.031 22.997 30 H SER 8 H SER 8 0.545 14.959 19.695 31 HA SER 8 HA SER 8 2.068 17.193 18.610 32 HB2 SER 8 1HB SER 8 2.775 14.294 18.164 33 HB3 SER 8 2HB SER 8 3.256 15.561 17.036 34 HG SER 8 HG SER 8 4.128 16.602 19.054 35 H GLN 9 H GLN 9 1.964 17.071 16.103 36 HA GLN 9 HA GLN 9 -0.511 15.851 15.155 37 HB2 GLN 9 1HB GLN 9 -1.333 17.944 14.205 38 HB3 GLN 9 2HB GLN 9 -1.174 18.075 15.952 39 HG2 GLN 9 1HG GLN 9 0.944 19.046 14.060 40 HG3 GLN 9 2HG GLN 9 -0.404 20.054 14.582 41 HE21 GLN 9 1HE2 GLN 9 -0.714 19.777 17.116 42 HE22 GLN 9 2HE2 GLN 9 0.727 20.074 18.021 43 H GLY 10 H GLY 10 -0.726 15.941 12.793 44 HA2 GLY 10 1HA GLY 10 1.789 16.488 11.376 45 HA3 GLY 10 2HA GLY 10 1.093 14.877 11.270 46 H ASP 11 H ASP 11 0.011 18.260 10.929 47 HA ASP 11 HA ASP 11 -1.656 17.410 8.664 48 HB2 ASP 11 1HB ASP 11 -2.962 19.392 9.012 49 HB3 ASP 11 2HB ASP 11 -2.730 18.628 10.583 50 H CYS 12 H CYS 12 -0.598 17.568 6.794 51 HA CYS 12 HA CYS 12 0.725 20.112 6.172 52 HB2 CYS 12 1HB CYS 12 2.557 18.927 5.046 53 HB3 CYS 12 2HB CYS 12 2.494 18.521 6.757 54 HG CYS 12 HG CYS 12 0.879 16.129 5.969 55 H SER 13 H SER 13 1.176 20.268 3.756 56 HA SER 13 HA SER 13 -1.274 19.547 2.369 57 HB2 SER 13 1HB SER 13 1.044 21.193 1.336 58 HB3 SER 13 2HB SER 13 -0.591 21.125 0.679 59 HG SER 13 HG SER 13 -1.311 22.032 2.682 60 H TYR 14 H TYR 14 2.203 19.395 1.579 61 HA TYR 14 HA TYR 14 1.887 17.635 -0.597 62 HB2 TYR 14 1HB TYR 14 4.148 18.688 0.994 63 HB3 TYR 14 2HB TYR 14 4.444 17.166 0.162 64 HD1 TYR 14 2HD TYR 14 3.698 20.734 -0.270 65 HD2 TYR 14 1HD TYR 14 4.559 17.067 -2.248 66 HE1 TYR 14 2HE TYR 14 4.119 21.965 -2.357 67 HE2 TYR 14 1HE TYR 14 4.984 18.288 -4.340 68 HH TYR 14 HH TYR 14 4.597 20.327 -5.393 69 H SER 15 H SER 15 1.236 15.599 -0.547 70 HA SER 15 HA SER 15 1.570 14.033 1.899 71 HB2 SER 15 1HB SER 15 -0.145 12.613 1.097 72 HB3 SER 15 2HB SER 15 -0.659 14.239 0.648 73 HG SER 15 HG SER 15 0.663 13.557 -1.392 74 H ARG 16 H ARG 16 3.550 14.653 -0.458 75 HA ARG 16 HA ARG 16 4.275 12.499 -1.913 76 HB2 ARG 16 1HB ARG 16 5.523 14.595 -1.949 77 HB3 ARG 16 2HB ARG 16 6.144 14.274 -0.335 78 HG2 ARG 16 1HG ARG 16 7.653 12.736 -1.066 79 HG3 ARG 16 2HG ARG 16 6.659 12.251 -2.441 80 HD2 ARG 16 1HD ARG 16 7.884 14.982 -2.316 81 HD3 ARG 16 2HD ARG 16 8.826 13.597 -2.867 82 HE ARG 16 HE ARG 16 6.274 13.961 -4.181 83 HH11 ARG 16 1HH1 ARG 16 9.693 14.612 -4.219 84 HH12 ARG 16 2HH1 ARG 16 9.747 14.925 -5.922 85 HH21 ARG 16 1HH2 ARG 16 6.332 14.371 -6.424 86 HH22 ARG 16 2HH2 ARG 16 7.834 14.789 -7.175 87 H THR 17 H THR 17 4.672 12.876 1.551 88 HA THR 17 HA THR 17 5.837 10.176 1.695 89 HB THR 17 HB THR 17 6.617 10.761 3.944 90 HG1 THR 17 1HG THR 17 5.368 13.254 3.365 91 HG21 THR 17 3HG2 THR 17 8.462 11.912 3.237 92 HG22 THR 17 1HG2 THR 17 7.517 13.087 2.324 93 HG23 THR 17 2HG2 THR 17 7.788 11.473 1.668 94 H ALA 18 H ALA 18 3.242 10.030 1.215 95 HA ALA 18 HA ALA 18 1.854 9.798 3.789 96 HB1 ALA 18 3HB ALA 18 0.559 9.392 1.119 97 HB2 ALA 18 1HB ALA 18 -0.167 9.900 2.644 98 HB3 ALA 18 2HB ALA 18 0.866 11.012 1.745 99 H LEU 19 H LEU 19 2.186 7.917 0.772 100 HA LEU 19 HA LEU 19 1.115 5.537 1.536 101 HB2 LEU 19 1HB LEU 19 3.717 5.569 0.054 102 HB3 LEU 19 2HB LEU 19 2.326 4.510 -0.170 103 HG LEU 19 HG LEU 19 2.621 7.376 -1.045 104 HD11 LEU 19 1HD1 LEU 19 3.580 5.430 -2.393 105 HD12 LEU 19 2HD1 LEU 19 2.508 6.552 -3.230 106 HD13 LEU 19 3HD1 LEU 19 1.902 4.982 -2.704 107 HD21 LEU 19 3HD2 LEU 19 0.351 7.351 -1.767 108 HD22 LEU 19 1HD2 LEU 19 0.366 6.890 -0.064 109 HD23 LEU 19 2HD2 LEU 19 0.161 5.658 -1.309 110 H TYR 20 H TYR 20 4.088 6.940 2.639 111 HA TYR 20 HA TYR 20 5.091 4.498 3.803 112 HB2 TYR 20 1HB TYR 20 6.013 7.347 4.226 113 HB3 TYR 20 2HB TYR 20 6.889 5.892 4.685 114 HD1 TYR 20 2HD TYR 20 5.573 7.747 1.748 115 HD2 TYR 20 1HD TYR 20 8.338 4.843 3.169 116 HE1 TYR 20 2HE TYR 20 6.665 7.716 -0.456 117 HE2 TYR 20 1HE TYR 20 9.438 4.805 0.969 118 HH TYR 20 HH TYR 20 8.202 6.738 -1.736 119 H ASP 21 H ASP 21 3.403 7.389 4.889 120 HA ASP 21 HA ASP 21 3.600 6.886 7.665 121 HB2 ASP 21 1HB ASP 21 3.032 9.094 7.024 122 HB3 ASP 21 2HB ASP 21 1.706 8.541 6.004 123 H LEU 22 H LEU 22 1.038 6.188 5.301 124 HA LEU 22 HA LEU 22 -0.915 5.138 6.876 125 HB2 LEU 22 1HB LEU 22 0.085 4.282 4.181 126 HB3 LEU 22 2HB LEU 22 -1.294 3.491 4.942 127 HG LEU 22 HG LEU 22 -2.236 5.925 5.096 128 HD11 LEU 22 1HD1 LEU 22 -1.461 7.057 2.861 129 HD12 LEU 22 2HD1 LEU 22 0.025 6.162 3.173 130 HD13 LEU 22 3HD1 LEU 22 -0.572 7.318 4.362 131 HD21 LEU 22 3HD2 LEU 22 -2.367 5.139 2.300 132 HD22 LEU 22 1HD2 LEU 22 -3.641 5.214 3.517 133 HD23 LEU 22 2HD2 LEU 22 -2.616 3.783 3.401 134 H LEU 23 H LEU 23 1.825 3.284 5.546 135 HA LEU 23 HA LEU 23 1.181 0.964 7.112 136 HB2 LEU 23 1HB LEU 23 3.300 1.728 5.176 137 HB3 LEU 23 2HB LEU 23 3.636 0.399 6.283 138 HG LEU 23 HG LEU 23 1.717 -0.827 5.419 139 HD11 LEU 23 1HD1 LEU 23 0.391 -0.031 3.595 140 HD12 LEU 23 2HD1 LEU 23 1.372 1.426 3.450 141 HD13 LEU 23 3HD1 LEU 23 0.357 1.185 4.871 142 HD21 LEU 23 3HD2 LEU 23 3.386 0.167 3.118 143 HD22 LEU 23 1HD2 LEU 23 2.618 -1.411 3.297 144 HD23 LEU 23 2HD2 LEU 23 3.975 -0.968 4.334 145 H GLY 24 H GLY 24 3.484 3.623 7.320 146 HA2 GLY 24 1HA GLY 24 4.289 4.450 9.395 147 HA3 GLY 24 2HA GLY 24 3.988 2.873 10.109 148 H VAL 25 H VAL 25 5.665 3.359 7.066 149 HA VAL 25 HA VAL 25 8.106 2.305 8.332 150 HB VAL 25 HB VAL 25 8.765 1.470 6.146 151 HG11 VAL 25 1HG1 VAL 25 7.594 -0.159 7.309 152 HG12 VAL 25 2HG1 VAL 25 6.064 0.712 7.189 153 HG13 VAL 25 3HG1 VAL 25 6.736 -0.092 5.770 154 HG21 VAL 25 3HG2 VAL 25 7.650 3.286 4.845 155 HG22 VAL 25 1HG2 VAL 25 7.391 1.667 4.196 156 HG23 VAL 25 2HG2 VAL 25 6.113 2.464 5.113 157 HA PRO 26 HA PRO 26 10.292 6.009 7.434 158 HB2 PRO 26 1HB PRO 26 12.797 5.028 7.071 159 HB3 PRO 26 2HB PRO 26 12.025 5.127 8.658 160 HG2 PRO 26 1HG PRO 26 12.295 2.775 6.826 161 HG3 PRO 26 2HG PRO 26 12.510 2.854 8.584 162 HD2 PRO 26 1HD PRO 26 10.247 1.911 7.435 163 HD3 PRO 26 2HD PRO 26 10.244 2.762 8.992 164 H SER 27 H SER 27 11.774 7.007 5.802 165 HA SER 27 HA SER 27 10.780 6.576 3.189 166 HB2 SER 27 1HB SER 27 12.394 8.297 2.503 167 HB3 SER 27 2HB SER 27 11.545 8.783 3.971 168 HG SER 27 HG SER 27 14.214 8.099 3.596 169 H THR 28 H THR 28 13.425 5.246 4.937 170 HA THR 28 HA THR 28 14.524 4.082 2.464 171 HB THR 28 HB THR 28 16.608 3.712 3.655 172 HG1 THR 28 1HG THR 28 15.255 3.693 5.789 173 HG21 THR 28 3HG2 THR 28 16.818 6.306 4.462 174 HG22 THR 28 1HG2 THR 28 15.420 6.385 3.390 175 HG23 THR 28 2HG2 THR 28 16.957 5.763 2.790 176 H ALA 29 H ALA 29 12.197 3.174 4.126 177 HA ALA 29 HA ALA 29 12.798 0.933 5.659 178 HB1 ALA 29 3HB ALA 29 10.367 0.990 3.919 179 HB2 ALA 29 1HB ALA 29 10.547 0.408 5.575 180 HB3 ALA 29 2HB ALA 29 10.543 2.141 5.245 181 H THR 30 H THR 30 12.359 -1.360 5.086 182 HA THR 30 HA THR 30 13.473 -1.968 2.428 183 HB THR 30 HB THR 30 14.371 -4.013 3.335 184 HG1 THR 30 1HG THR 30 12.607 -4.327 4.876 185 HG21 THR 30 3HG2 THR 30 15.162 -2.269 5.564 186 HG22 THR 30 1HG2 THR 30 15.296 -1.532 3.968 187 HG23 THR 30 2HG2 THR 30 16.148 -3.035 4.319 188 H GLN 31 H GLN 31 12.785 -4.064 1.489 189 HA GLN 31 HA GLN 31 10.021 -4.194 1.171 190 HB2 GLN 31 1HB GLN 31 10.395 -6.235 -0.067 191 HB3 GLN 31 2HB GLN 31 11.679 -5.092 -0.440 192 HG2 GLN 31 1HG GLN 31 12.097 -7.106 1.714 193 HG3 GLN 31 2HG GLN 31 12.220 -7.599 0.026 194 HE21 GLN 31 1HE2 GLN 31 13.533 -5.502 2.499 195 HE22 GLN 31 2HE2 GLN 31 15.056 -5.228 1.731 196 H ALA 32 H ALA 32 12.075 -5.632 3.553 197 HA ALA 32 HA ALA 32 10.303 -7.702 4.383 198 HB1 ALA 32 3HB ALA 32 12.072 -6.730 6.468 199 HB2 ALA 32 1HB ALA 32 12.001 -8.311 5.689 200 HB3 ALA 32 2HB ALA 32 12.916 -7.000 4.943 201 H GLN 33 H GLN 33 10.731 -4.331 5.258 202 HA GLN 33 HA GLN 33 8.886 -4.515 7.483 203 HB2 GLN 33 1HB GLN 33 10.151 -2.074 6.227 204 HB3 GLN 33 2HB GLN 33 9.296 -2.126 7.763 205 HG2 GLN 33 1HG GLN 33 11.016 -3.668 8.630 206 HG3 GLN 33 2HG GLN 33 11.892 -3.498 7.109 207 HE21 GLN 33 1HE2 GLN 33 13.540 -2.175 7.268 208 HE22 GLN 33 2HE2 GLN 33 13.618 -0.746 8.234 209 H ILE 34 H ILE 34 8.978 -2.700 4.413 210 HA ILE 34 HA ILE 34 6.508 -1.558 4.413 211 HB ILE 34 HB ILE 34 7.842 -2.874 2.043 212 HG12 ILE 34 1HG1 ILE 34 7.891 0.023 2.906 213 HG13 ILE 34 2HG1 ILE 34 9.167 -1.129 3.284 214 HG21 ILE 34 1HG2 ILE 34 6.372 -0.678 1.181 215 HG22 ILE 34 2HG2 ILE 34 5.980 -2.379 0.933 216 HG23 ILE 34 3HG2 ILE 34 5.309 -1.512 2.314 217 HD11 ILE 34 3HD1 ILE 34 10.114 -0.765 1.325 218 HD12 ILE 34 1HD1 ILE 34 8.628 -1.209 0.484 219 HD13 ILE 34 2HD1 ILE 34 8.891 0.461 0.990 220 H LYS 35 H LYS 35 7.277 -4.930 3.817 221 HA LYS 35 HA LYS 35 4.646 -5.652 2.950 222 HB2 LYS 35 1HB LYS 35 6.712 -6.918 2.350 223 HB3 LYS 35 2HB LYS 35 6.833 -7.441 4.025 224 HG2 LYS 35 1HG LYS 35 4.464 -8.375 3.691 225 HG3 LYS 35 2HG LYS 35 4.792 -8.186 1.967 226 HD2 LYS 35 1HD LYS 35 6.815 -9.571 3.658 227 HD3 LYS 35 2HD LYS 35 5.337 -10.437 3.232 228 HE2 LYS 35 1HE LYS 35 6.871 -10.991 1.545 229 HE3 LYS 35 2HE LYS 35 5.830 -9.762 0.826 230 HZ1 LYS 35 3HZ LYS 35 8.099 -8.621 2.134 231 HZ2 LYS 35 1HZ LYS 35 7.550 -8.406 0.548 232 HZ3 LYS 35 2HZ LYS 35 8.558 -9.711 0.924 233 H ALA 36 H ALA 36 6.468 -6.149 5.969 234 HA ALA 36 HA ALA 36 4.489 -7.453 7.421 235 HB1 ALA 36 3HB ALA 36 5.838 -5.862 9.272 236 HB2 ALA 36 1HB ALA 36 6.227 -7.517 8.803 237 HB3 ALA 36 2HB ALA 36 7.004 -6.163 7.982 238 H ALA 37 H ALA 37 5.024 -4.000 6.919 239 HA ALA 37 HA ALA 37 3.106 -3.074 8.772 240 HB1 ALA 37 3HB ALA 37 3.429 -0.951 7.852 241 HB2 ALA 37 1HB ALA 37 4.974 -1.766 7.607 242 HB3 ALA 37 2HB ALA 37 3.841 -1.600 6.265 243 H TYR 38 H TYR 38 2.911 -3.472 5.233 244 HA TYR 38 HA TYR 38 0.289 -2.694 4.859 245 HB2 TYR 38 1HB TYR 38 1.525 -3.069 2.906 246 HB3 TYR 38 2HB TYR 38 2.037 -4.671 3.424 247 HD1 TYR 38 1HD TYR 38 -1.002 -2.762 2.418 248 HD2 TYR 38 2HD TYR 38 0.916 -6.554 2.639 249 HE1 TYR 38 1HE TYR 38 -2.840 -3.760 1.125 250 HE2 TYR 38 2HE TYR 38 -0.917 -7.562 1.345 251 HH TYR 38 HH TYR 38 -2.653 -6.846 -0.254 252 H TYR 39 H TYR 39 1.419 -6.057 5.251 253 HA TYR 39 HA TYR 39 -0.956 -7.381 5.317 254 HB2 TYR 39 1HB TYR 39 1.659 -7.818 6.666 255 HB3 TYR 39 2HB TYR 39 0.296 -8.785 7.217 256 HD1 TYR 39 1HD TYR 39 -1.141 -9.779 5.142 257 HD2 TYR 39 2HD TYR 39 2.992 -8.773 5.054 258 HE1 TYR 39 1HE TYR 39 -0.811 -11.325 3.257 259 HE2 TYR 39 2HE TYR 39 3.333 -10.315 3.168 260 HH TYR 39 HH TYR 39 2.211 -11.477 1.514 261 H ARG 40 H ARG 40 0.568 -5.686 8.033 262 HA ARG 40 HA ARG 40 -1.315 -6.363 9.995 263 HB2 ARG 40 1HB ARG 40 0.549 -4.016 9.691 264 HB3 ARG 40 2HB ARG 40 -0.506 -4.190 11.087 265 HG2 ARG 40 1HG ARG 40 0.544 -6.408 11.517 266 HG3 ARG 40 2HG ARG 40 1.688 -6.056 10.221 267 HD2 ARG 40 1HD ARG 40 2.806 -5.426 12.179 268 HD3 ARG 40 2HD ARG 40 2.211 -3.911 11.501 269 HE ARG 40 HE ARG 40 0.787 -3.689 13.298 270 HH11 ARG 40 1HH1 ARG 40 2.212 -6.865 13.294 271 HH12 ARG 40 2HH1 ARG 40 1.654 -7.260 14.886 272 HH21 ARG 40 1HH2 ARG 40 0.046 -4.197 15.395 273 HH22 ARG 40 2HH2 ARG 40 0.422 -5.742 16.080 274 H GLN 41 H GLN 41 -1.156 -3.569 7.810 275 HA GLN 41 HA GLN 41 -3.231 -2.042 8.700 276 HB2 GLN 41 1HB GLN 41 -2.608 -2.675 5.810 277 HB3 GLN 41 2HB GLN 41 -3.552 -1.303 6.374 278 HG2 GLN 41 1HG GLN 41 -0.625 -1.822 6.817 279 HG3 GLN 41 2HG GLN 41 -1.363 -0.532 5.869 280 HE21 GLN 41 1HE2 GLN 41 -0.019 -1.332 8.796 281 HE22 GLN 41 2HE2 GLN 41 -0.588 0.003 9.733 282 H CYS 42 H CYS 42 -3.509 -4.781 6.441 283 HA CYS 42 HA CYS 42 -6.271 -4.715 6.105 284 HB2 CYS 42 1HB CYS 42 -4.884 -6.091 4.685 285 HB3 CYS 42 2HB CYS 42 -4.368 -7.063 6.058 286 HG CYS 42 HG CYS 42 -6.064 -8.687 4.663 287 H PHE 43 H PHE 43 -4.360 -6.610 8.435 288 HA PHE 43 HA PHE 43 -6.427 -7.921 9.721 289 HB2 PHE 43 1HB PHE 43 -4.163 -8.519 10.219 290 HB3 PHE 43 2HB PHE 43 -3.799 -6.897 10.799 291 HD1 PHE 43 2HD PHE 43 -6.316 -9.563 11.514 292 HD2 PHE 43 1HD PHE 43 -3.579 -6.695 13.064 293 HE1 PHE 43 2HE PHE 43 -6.888 -10.259 13.803 294 HE2 PHE 43 1HE PHE 43 -4.147 -7.387 15.356 295 HZ PHE 43 HZ PHE 43 -5.804 -9.170 15.728 296 H LEU 44 H LEU 44 -4.987 -4.779 10.579 297 HA LEU 44 HA LEU 44 -6.569 -4.187 12.776 298 HB2 LEU 44 1HB LEU 44 -5.430 -2.321 10.702 299 HB3 LEU 44 2HB LEU 44 -6.095 -1.809 12.252 300 HG LEU 44 HG LEU 44 -3.858 -3.778 12.239 301 HD11 LEU 44 1HD1 LEU 44 -2.301 -1.774 12.318 302 HD12 LEU 44 2HD1 LEU 44 -3.621 -0.853 11.598 303 HD13 LEU 44 3HD1 LEU 44 -2.932 -2.228 10.735 304 HD21 LEU 44 3HD2 LEU 44 -3.299 -2.175 14.227 305 HD22 LEU 44 1HD2 LEU 44 -4.577 -3.380 14.387 306 HD23 LEU 44 2HD2 LEU 44 -4.988 -1.697 14.055 307 H TYR 45 H TYR 45 -7.179 -3.523 9.346 308 HA TYR 45 HA TYR 45 -9.934 -2.758 10.048 309 HB2 TYR 45 1HB TYR 45 -8.250 -2.097 7.629 310 HB3 TYR 45 2HB TYR 45 -9.970 -1.743 7.738 311 HD1 TYR 45 2HD TYR 45 -7.033 -1.317 10.021 312 HD2 TYR 45 1HD TYR 45 -10.386 0.486 8.121 313 HE1 TYR 45 2HE TYR 45 -6.518 0.810 11.143 314 HE2 TYR 45 1HE TYR 45 -9.880 2.618 9.237 315 HH TYR 45 HH TYR 45 -6.938 3.088 11.052 316 H HIS 46 H HIS 46 -9.312 -5.458 10.044 317 HA HIS 46 HA HIS 46 -9.523 -6.970 7.806 318 HB2 HIS 46 1HB HIS 46 -9.622 -7.582 10.384 319 HB3 HIS 46 2HB HIS 46 -11.348 -7.694 10.055 320 HD2 HIS 46 2HD HIS 46 -8.044 -9.585 9.217 321 HE1 HIS 46 1HE HIS 46 -11.310 -11.871 7.765 322 HE2 HIS 46 2HE HIS 46 -8.839 -11.850 8.253 323 HA PRO 47 HA PRO 47 -13.272 -5.874 5.768 324 HB2 PRO 47 1HB PRO 47 -13.580 -8.107 4.254 325 HB3 PRO 47 2HB PRO 47 -12.366 -6.869 3.905 326 HG2 PRO 47 1HG PRO 47 -12.044 -9.496 5.304 327 HG3 PRO 47 2HG PRO 47 -10.997 -8.739 4.090 328 HD2 PRO 47 1HD PRO 47 -10.440 -8.674 6.739 329 HD3 PRO 47 2HD PRO 47 -9.992 -7.357 5.637 330 H ASP 48 H ASP 48 -13.010 -8.233 8.111 331 HA ASP 48 HA ASP 48 -15.771 -9.163 7.843 332 HB2 ASP 48 1HB ASP 48 -13.797 -10.716 8.369 333 HB3 ASP 48 2HB ASP 48 -13.817 -10.001 9.978 334 H ARG 49 H ARG 49 -13.687 -7.877 10.441 335 HA ARG 49 HA ARG 49 -15.585 -7.372 12.347 336 HB2 ARG 49 1HB ARG 49 -12.978 -6.931 12.264 337 HB3 ARG 49 2HB ARG 49 -13.493 -5.291 11.893 338 HG2 ARG 49 1HG ARG 49 -14.563 -6.769 14.270 339 HG3 ARG 49 2HG ARG 49 -13.038 -5.884 14.333 340 HD2 ARG 49 1HD ARG 49 -14.472 -4.246 15.028 341 HD3 ARG 49 2HD ARG 49 -14.506 -3.961 13.289 342 HE ARG 49 HE ARG 49 -16.534 -5.789 14.114 343 HH11 ARG 49 1HH1 ARG 49 -15.705 -2.412 13.941 344 HH12 ARG 49 2HH1 ARG 49 -17.352 -1.877 13.893 345 HH21 ARG 49 1HH2 ARG 49 -18.706 -5.096 14.051 346 HH22 ARG 49 2HH2 ARG 49 -19.058 -3.404 13.957 347 H ASN 50 H ASN 50 -14.458 -4.983 9.945 348 HA ASN 50 HA ASN 50 -16.577 -3.161 10.556 349 HB2 ASN 50 1HB ASN 50 -14.781 -3.154 8.123 350 HB3 ASN 50 2HB ASN 50 -15.677 -1.791 8.788 351 HD21 ASN 50 1HD2 ASN 50 -13.002 -3.985 9.314 352 HD22 ASN 50 2HD2 ASN 50 -12.149 -2.980 10.431 353 H SER 51 H SER 51 -18.542 -4.149 10.216 354 HA SER 51 HA SER 51 -19.123 -5.425 7.683 355 HB2 SER 51 1HB SER 51 -21.368 -5.802 8.661 356 HB3 SER 51 2HB SER 51 -20.079 -6.371 9.721 357 HG SER 51 HG SER 51 -21.917 -4.960 10.571 358 H GLY 52 H GLY 52 -19.207 -3.988 6.035 359 HA2 GLY 52 1HA GLY 52 -19.958 -2.258 4.725 360 HA3 GLY 52 2HA GLY 52 -21.474 -2.445 5.594 361 H SER 53 H SER 53 -18.239 -1.010 5.967 362 HA SER 53 HA SER 53 -19.431 1.087 7.642 363 HB2 SER 53 1HB SER 53 -16.704 -0.095 7.418 364 HB3 SER 53 2HB SER 53 -16.822 1.604 7.876 365 HG SER 53 HG SER 53 -17.596 -0.677 9.264 366 H ALA 54 H ALA 54 -19.229 3.249 7.147 367 HA ALA 54 HA ALA 54 -18.981 3.884 4.364 368 HB1 ALA 54 3HB ALA 54 -20.562 5.244 5.251 369 HB2 ALA 54 1HB ALA 54 -19.770 5.325 6.825 370 HB3 ALA 54 2HB ALA 54 -19.169 6.301 5.483 371 H GLU 55 H GLU 55 -17.153 4.782 7.286 372 HA GLU 55 HA GLU 55 -15.146 6.184 5.798 373 HB2 GLU 55 1HB GLU 55 -15.463 5.369 8.669 374 HB3 GLU 55 2HB GLU 55 -13.925 5.994 8.091 375 HG2 GLU 55 1HG GLU 55 -16.568 7.425 7.926 376 HG3 GLU 55 2HG GLU 55 -15.302 7.732 9.113 377 H ALA 56 H ALA 56 -15.128 3.144 7.662 378 HA ALA 56 HA ALA 56 -12.609 2.243 7.277 379 HB1 ALA 56 3HB ALA 56 -14.603 0.166 6.713 380 HB2 ALA 56 1HB ALA 56 -13.376 0.253 7.977 381 HB3 ALA 56 2HB ALA 56 -14.907 1.107 8.173 382 H ALA 57 H ALA 57 -15.253 1.945 4.920 383 HA ALA 57 HA ALA 57 -14.054 0.479 2.947 384 HB1 ALA 57 3HB ALA 57 -15.998 2.755 2.814 385 HB2 ALA 57 1HB ALA 57 -15.426 1.958 1.348 386 HB3 ALA 57 2HB ALA 57 -16.284 1.030 2.579 387 H GLU 58 H GLU 58 -14.052 4.051 3.017 388 HA GLU 58 HA GLU 58 -12.265 4.462 0.947 389 HB2 GLU 58 1HB GLU 58 -12.765 6.094 3.436 390 HB3 GLU 58 2HB GLU 58 -11.750 6.648 2.112 391 HG2 GLU 58 1HG GLU 58 -14.543 5.760 1.563 392 HG3 GLU 58 2HG GLU 58 -14.244 7.361 2.238 393 H ARG 59 H ARG 59 -11.442 4.614 4.418 394 HA ARG 59 HA ARG 59 -8.743 4.840 4.290 395 HB2 ARG 59 1HB ARG 59 -10.388 4.498 6.323 396 HB3 ARG 59 2HB ARG 59 -9.845 2.829 6.207 397 HG2 ARG 59 1HG ARG 59 -7.847 5.046 6.320 398 HG3 ARG 59 2HG ARG 59 -8.628 4.473 7.795 399 HD2 ARG 59 1HD ARG 59 -7.835 2.223 7.379 400 HD3 ARG 59 2HD ARG 59 -7.140 2.726 5.838 401 HE ARG 59 HE ARG 59 -5.967 3.017 8.415 402 HH11 ARG 59 1HH1 ARG 59 -6.216 4.510 5.280 403 HH12 ARG 59 2HH1 ARG 59 -4.688 5.318 5.399 404 HH21 ARG 59 1HH2 ARG 59 -3.954 4.076 8.584 405 HH22 ARG 59 2HH2 ARG 59 -3.402 5.070 7.278 406 H PHE 60 H PHE 60 -10.522 1.757 4.192 407 HA PHE 60 HA PHE 60 -8.416 0.003 3.990 408 HB2 PHE 60 1HB PHE 60 -10.628 -0.867 4.198 409 HB3 PHE 60 2HB PHE 60 -11.146 -0.087 2.707 410 HD1 PHE 60 1HD PHE 60 -8.474 -2.456 3.801 411 HD2 PHE 60 2HD PHE 60 -11.433 -1.466 0.906 412 HE1 PHE 60 1HE PHE 60 -7.928 -4.502 2.548 413 HE2 PHE 60 2HE PHE 60 -10.893 -3.510 -0.350 414 HZ PHE 60 HZ PHE 60 -9.140 -5.033 0.470 415 H THR 61 H THR 61 -9.994 1.800 1.373 416 HA THR 61 HA THR 61 -8.567 0.700 -0.767 417 HB THR 61 HB THR 61 -9.687 3.499 -0.529 418 HG1 THR 61 1HG THR 61 -11.340 2.257 -1.925 419 HG21 THR 61 3HG2 THR 61 -9.200 3.853 -2.697 420 HG22 THR 61 1HG2 THR 61 -9.592 2.197 -3.155 421 HG23 THR 61 2HG2 THR 61 -8.009 2.572 -2.475 422 H ARG 62 H ARG 62 -7.988 3.808 0.893 423 HA ARG 62 HA ARG 62 -5.713 4.629 -0.355 424 HB2 ARG 62 1HB ARG 62 -6.728 4.917 2.428 425 HB3 ARG 62 2HB ARG 62 -5.065 5.396 2.116 426 HG2 ARG 62 1HG ARG 62 -5.844 6.922 0.363 427 HG3 ARG 62 2HG ARG 62 -7.509 6.457 0.714 428 HD2 ARG 62 1HD ARG 62 -7.455 7.454 2.837 429 HD3 ARG 62 2HD ARG 62 -5.695 7.551 2.840 430 HE ARG 62 HE ARG 62 -7.541 9.405 1.621 431 HH11 ARG 62 1HH1 ARG 62 -4.269 8.220 1.724 432 HH12 ARG 62 2HH1 ARG 62 -3.586 9.665 1.057 433 HH21 ARG 62 1HH2 ARG 62 -6.653 11.313 0.741 434 HH22 ARG 62 2HH2 ARG 62 -4.943 11.425 0.499 435 H ILE 63 H ILE 63 -5.865 2.393 2.407 436 HA ILE 63 HA ILE 63 -3.159 1.960 2.777 437 HB ILE 63 HB ILE 63 -5.408 -0.033 3.076 438 HG12 ILE 63 1HG1 ILE 63 -4.041 1.528 5.259 439 HG13 ILE 63 2HG1 ILE 63 -5.428 2.180 4.393 440 HG21 ILE 63 1HG2 ILE 63 -2.732 -0.145 4.437 441 HG22 ILE 63 2HG2 ILE 63 -3.975 -1.392 4.356 442 HG23 ILE 63 3HG2 ILE 63 -3.053 -0.972 2.913 443 HD11 ILE 63 3HD1 ILE 63 -5.985 1.094 6.549 444 HD12 ILE 63 1HD1 ILE 63 -6.820 0.398 5.160 445 HD13 ILE 63 2HD1 ILE 63 -5.439 -0.439 5.869 446 H SER 64 H SER 64 -5.384 0.130 0.683 447 HA SER 64 HA SER 64 -3.669 -1.752 -0.333 448 HB2 SER 64 1HB SER 64 -5.164 -2.010 -2.149 449 HB3 SER 64 2HB SER 64 -6.164 -1.421 -0.821 450 HG SER 64 HG SER 64 -6.356 -0.374 -2.992 451 H GLN 65 H GLN 65 -4.078 1.594 -1.414 452 HA GLN 65 HA GLN 65 -2.454 1.545 -3.663 453 HB2 GLN 65 1HB GLN 65 -2.734 3.827 -1.701 454 HB3 GLN 65 2HB GLN 65 -2.221 3.951 -3.379 455 HG2 GLN 65 1HG GLN 65 -4.489 2.969 -3.977 456 HG3 GLN 65 2HG GLN 65 -4.942 3.298 -2.305 457 HE21 GLN 65 1HE2 GLN 65 -6.531 4.568 -3.745 458 HE22 GLN 65 2HE2 GLN 65 -6.114 6.221 -4.026 459 H ALA 66 H ALA 66 -1.539 2.369 -0.320 460 HA ALA 66 HA ALA 66 1.125 2.905 -0.646 461 HB1 ALA 66 3HB ALA 66 -0.180 3.027 1.486 462 HB2 ALA 66 1HB ALA 66 0.034 1.283 1.644 463 HB3 ALA 66 2HB ALA 66 1.440 2.349 1.650 464 H TYR 67 H TYR 67 -0.445 -0.243 -0.572 465 HA TYR 67 HA TYR 67 2.097 -1.641 -0.730 466 HB2 TYR 67 1HB TYR 67 -0.088 -2.394 0.513 467 HB3 TYR 67 2HB TYR 67 -0.555 -2.989 -1.076 468 HD1 TYR 67 1HD TYR 67 2.703 -2.988 0.759 469 HD2 TYR 67 2HD TYR 67 -0.345 -5.288 -1.119 470 HE1 TYR 67 1HE TYR 67 4.015 -5.032 1.145 471 HE2 TYR 67 2HE TYR 67 0.958 -7.338 -0.738 472 HH TYR 67 HH TYR 67 4.141 -7.384 -0.013 473 H VAL 68 H VAL 68 1.229 0.174 -2.890 474 HA VAL 68 HA VAL 68 1.284 -1.775 -5.101 475 HB VAL 68 HB VAL 68 -0.158 0.880 -5.064 476 HG11 VAL 68 1HG1 VAL 68 -0.334 0.825 -7.296 477 HG12 VAL 68 2HG1 VAL 68 1.045 -0.275 -7.231 478 HG13 VAL 68 3HG1 VAL 68 -0.594 -0.919 -7.327 479 HG21 VAL 68 3HG2 VAL 68 -0.971 -1.795 -4.399 480 HG22 VAL 68 1HG2 VAL 68 -1.884 -0.289 -4.294 481 HG23 VAL 68 2HG2 VAL 68 -1.875 -1.212 -5.796 482 H VAL 69 H VAL 69 1.790 1.709 -4.502 483 HA VAL 69 HA VAL 69 3.674 2.033 -6.581 484 HB VAL 69 HB VAL 69 3.292 3.729 -4.109 485 HG11 VAL 69 1HG1 VAL 69 4.810 4.155 -6.661 486 HG12 VAL 69 2HG1 VAL 69 4.224 5.511 -5.697 487 HG13 VAL 69 3HG1 VAL 69 5.361 4.357 -4.998 488 HG21 VAL 69 3HG2 VAL 69 1.843 3.528 -6.687 489 HG22 VAL 69 1HG2 VAL 69 1.249 3.952 -5.082 490 HG23 VAL 69 2HG2 VAL 69 2.125 5.144 -6.042 491 H LEU 70 H LEU 70 3.997 1.298 -3.152 492 HA LEU 70 HA LEU 70 6.907 1.325 -3.349 493 HB2 LEU 70 1HB LEU 70 5.239 0.632 -0.944 494 HB3 LEU 70 2HB LEU 70 6.939 1.100 -0.982 495 HG LEU 70 HG LEU 70 4.767 2.995 -1.829 496 HD11 LEU 70 1HD1 LEU 70 5.882 3.238 0.890 497 HD12 LEU 70 2HD1 LEU 70 4.723 1.934 0.637 498 HD13 LEU 70 3HD1 LEU 70 4.266 3.600 0.285 499 HD21 LEU 70 3HD2 LEU 70 6.381 4.649 -1.610 500 HD22 LEU 70 1HD2 LEU 70 7.289 3.302 -2.298 501 HD23 LEU 70 2HD2 LEU 70 7.405 3.654 -0.573 502 H GLY 71 H GLY 71 4.232 -0.898 -3.173 503 HA2 GLY 71 1HA GLY 71 5.317 -3.232 -2.275 504 HA3 GLY 71 2HA GLY 71 4.176 -3.161 -3.610 505 H SER 72 H SER 72 6.048 -1.620 -5.289 506 HA SER 72 HA SER 72 7.981 -3.762 -5.892 507 HB2 SER 72 1HB SER 72 5.920 -3.420 -7.467 508 HB3 SER 72 2HB SER 72 6.827 -2.024 -8.050 509 HG SER 72 HG SER 72 7.140 -4.561 -8.722 510 H ALA 73 H ALA 73 10.026 -3.131 -5.841 511 HA ALA 73 HA ALA 73 10.944 -0.636 -5.172 512 HB1 ALA 73 3HB ALA 73 12.413 -2.492 -5.007 513 HB2 ALA 73 1HB ALA 73 12.307 -2.815 -6.738 514 HB3 ALA 73 2HB ALA 73 13.137 -1.370 -6.159 515 H THR 74 H THR 74 10.896 -1.998 -8.470 516 HA THR 74 HA THR 74 11.891 0.001 -9.966 517 HB THR 74 HB THR 74 9.336 -1.477 -10.626 518 HG1 THR 74 1HG THR 74 10.602 -3.130 -10.989 519 HG21 THR 74 3HG2 THR 74 10.486 -1.100 -12.998 520 HG22 THR 74 1HG2 THR 74 11.115 0.328 -12.176 521 HG23 THR 74 2HG2 THR 74 9.374 0.077 -12.299 522 H LEU 75 H LEU 75 8.406 -0.156 -9.199 523 HA LEU 75 HA LEU 75 7.552 2.217 -10.189 524 HB2 LEU 75 1HB LEU 75 6.776 1.112 -7.494 525 HB3 LEU 75 2HB LEU 75 5.838 2.247 -8.462 526 HG LEU 75 HG LEU 75 6.492 -0.547 -9.377 527 HD11 LEU 75 1HD1 LEU 75 5.219 -0.928 -7.453 528 HD12 LEU 75 2HD1 LEU 75 4.044 -0.947 -8.768 529 HD13 LEU 75 3HD1 LEU 75 4.195 0.479 -7.742 530 HD21 LEU 75 3HD2 LEU 75 5.259 -0.101 -11.202 531 HD22 LEU 75 1HD2 LEU 75 5.619 1.581 -10.812 532 HD23 LEU 75 2HD2 LEU 75 4.089 0.866 -10.303 533 H ARG 76 H ARG 76 8.568 1.877 -6.783 534 HA ARG 76 HA ARG 76 8.561 4.384 -5.882 535 HB2 ARG 76 1HB ARG 76 10.547 2.191 -5.512 536 HB3 ARG 76 2HB ARG 76 10.932 3.776 -4.857 537 HG2 ARG 76 1HG ARG 76 8.704 3.704 -3.682 538 HG3 ARG 76 2HG ARG 76 8.604 2.010 -4.166 539 HD2 ARG 76 1HD ARG 76 10.886 3.191 -2.592 540 HD3 ARG 76 2HD ARG 76 9.500 2.378 -1.865 541 HE ARG 76 HE ARG 76 10.394 0.528 -3.586 542 HH11 ARG 76 1HH1 ARG 76 12.030 2.477 -1.210 543 HH12 ARG 76 2HH1 ARG 76 13.256 1.294 -0.893 544 HH21 ARG 76 1HH2 ARG 76 12.002 -1.037 -3.178 545 HH22 ARG 76 2HH2 ARG 76 13.240 -0.704 -2.014 546 H ARG 77 H ARG 77 11.305 3.093 -7.760 547 HA ARG 77 HA ARG 77 12.739 5.481 -7.949 548 HB2 ARG 77 1HB ARG 77 12.633 3.152 -9.874 549 HB3 ARG 77 2HB ARG 77 13.838 4.432 -9.919 550 HG2 ARG 77 1HG ARG 77 14.692 3.776 -7.770 551 HG3 ARG 77 2HG ARG 77 13.402 2.587 -7.581 552 HD2 ARG 77 1HD ARG 77 14.273 1.471 -9.660 553 HD3 ARG 77 2HD ARG 77 15.660 2.557 -9.573 554 HE ARG 77 HE ARG 77 15.148 1.042 -7.168 555 HH11 ARG 77 1HH1 ARG 77 16.821 1.168 -10.218 556 HH12 ARG 77 2HH1 ARG 77 18.047 0.041 -9.741 557 HH21 ARG 77 1HH2 ARG 77 16.757 -0.443 -6.527 558 HH22 ARG 77 2HH2 ARG 77 18.009 -0.875 -7.642 559 H LYS 78 H LYS 78 10.373 4.071 -10.196 560 HA LYS 78 HA LYS 78 10.478 5.961 -12.211 561 HB2 LYS 78 1HB LYS 78 8.024 4.518 -11.191 562 HB3 LYS 78 2HB LYS 78 8.179 5.291 -12.763 563 HG2 LYS 78 1HG LYS 78 9.989 3.719 -13.329 564 HG3 LYS 78 2HG LYS 78 9.746 2.916 -11.776 565 HD2 LYS 78 1HD LYS 78 8.513 1.610 -13.257 566 HD3 LYS 78 2HD LYS 78 7.295 2.666 -12.537 567 HE2 LYS 78 1HE LYS 78 7.347 4.111 -14.469 568 HE3 LYS 78 2HE LYS 78 8.675 3.186 -15.169 569 HZ1 LYS 78 3HZ LYS 78 6.346 1.613 -14.520 570 HZ2 LYS 78 1HZ LYS 78 7.287 1.626 -15.926 571 HZ3 LYS 78 2HZ LYS 78 6.073 2.783 -15.711 572 H TYR 79 H TYR 79 8.086 5.916 -9.560 573 HA TYR 79 HA TYR 79 6.891 8.342 -10.015 574 HB2 TYR 79 1HB TYR 79 6.221 6.658 -8.284 575 HB3 TYR 79 2HB TYR 79 7.535 7.246 -7.271 576 HD1 TYR 79 1HD TYR 79 4.407 8.322 -8.969 577 HD2 TYR 79 2HD TYR 79 7.217 9.097 -5.870 578 HE1 TYR 79 1HE TYR 79 2.920 10.060 -8.065 579 HE2 TYR 79 2HE TYR 79 5.737 10.836 -4.956 580 HH TYR 79 HH TYR 79 2.742 11.118 -5.391 581 H ASP 80 H ASP 80 9.870 7.707 -8.215 582 HA ASP 80 HA ASP 80 10.350 10.242 -7.198 583 HB2 ASP 80 1HB ASP 80 11.663 8.148 -6.713 584 HB3 ASP 80 2HB ASP 80 12.478 8.377 -8.258 585 H ARG 81 H ARG 81 11.019 8.944 -10.408 586 HA ARG 81 HA ARG 81 12.126 11.521 -11.246 587 HB2 ARG 81 1HB ARG 81 11.909 9.042 -12.944 588 HB3 ARG 81 2HB ARG 81 12.987 10.416 -13.154 589 HG2 ARG 81 1HG ARG 81 13.129 8.480 -10.854 590 HG3 ARG 81 2HG ARG 81 14.111 8.376 -12.317 591 HD2 ARG 81 1HD ARG 81 14.665 10.885 -11.682 592 HD3 ARG 81 2HD ARG 81 14.238 10.316 -10.068 593 HE ARG 81 HE ARG 81 16.153 9.035 -10.034 594 HH11 ARG 81 1HH1 ARG 81 15.628 10.310 -13.231 595 HH12 ARG 81 2HH1 ARG 81 17.194 9.851 -13.813 596 HH21 ARG 81 1HH2 ARG 81 18.218 8.425 -10.789 597 HH22 ARG 81 2HH2 ARG 81 18.666 8.778 -12.423 598 H GLY 82 H GLY 82 9.180 10.647 -10.765 599 HA2 GLY 82 1HA GLY 82 7.142 11.231 -11.643 600 HA3 GLY 82 2HA GLY 82 8.018 12.359 -12.667 601 H LEU 83 H LEU 83 8.737 8.964 -12.794 602 HA LEU 83 HA LEU 83 7.837 8.899 -15.560 603 HB2 LEU 83 1HB LEU 83 9.332 6.846 -13.937 604 HB3 LEU 83 2HB LEU 83 9.013 6.755 -15.668 605 HG LEU 83 HG LEU 83 10.593 9.021 -14.494 606 HD11 LEU 83 1HD1 LEU 83 12.528 7.843 -14.421 607 HD12 LEU 83 2HD1 LEU 83 12.020 6.710 -15.672 608 HD13 LEU 83 3HD1 LEU 83 11.416 6.533 -14.025 609 HD21 LEU 83 3HD2 LEU 83 10.373 7.754 -17.219 610 HD22 LEU 83 1HD2 LEU 83 11.586 8.961 -16.791 611 HD23 LEU 83 2HD2 LEU 83 9.872 9.377 -16.740 612 H LEU 84 H LEU 84 6.914 7.700 -12.450 613 HA LEU 84 HA LEU 84 5.276 5.551 -13.334 614 HB2 LEU 84 1HB LEU 84 6.166 5.768 -11.040 615 HB3 LEU 84 2HB LEU 84 5.099 7.147 -10.783 616 HG LEU 84 HG LEU 84 3.257 5.340 -11.444 617 HD11 LEU 84 1HD1 LEU 84 5.576 3.755 -10.374 618 HD12 LEU 84 2HD1 LEU 84 4.654 3.481 -11.851 619 HD13 LEU 84 3HD1 LEU 84 3.906 3.196 -10.280 620 HD21 LEU 84 3HD2 LEU 84 2.898 4.985 -9.058 621 HD22 LEU 84 1HD2 LEU 84 3.319 6.665 -9.392 622 HD23 LEU 84 2HD2 LEU 84 4.527 5.571 -8.717 623 H SER 85 H SER 85 3.370 5.633 -14.309 624 HA SER 85 HA SER 85 2.040 8.113 -14.784 625 HB2 SER 85 1HB SER 85 1.322 5.246 -15.406 626 HB3 SER 85 2HB SER 85 0.287 6.605 -15.847 627 HG SER 85 HG SER 85 1.598 6.207 -17.582 628 H ASP 86 H ASP 86 -0.333 8.376 -14.374 629 HA ASP 86 HA ASP 86 -0.844 8.268 -11.596 630 HB2 ASP 86 1HB ASP 86 -1.796 9.837 -13.496 631 HB3 ASP 86 2HB ASP 86 -3.073 8.625 -13.557 632 H GLU 87 H GLU 87 -2.179 6.432 -14.330 633 HA GLU 87 HA GLU 87 -4.063 4.910 -13.030 634 HB2 GLU 87 1HB GLU 87 -3.719 4.861 -15.459 635 HB3 GLU 87 2HB GLU 87 -2.198 4.009 -15.232 636 HG2 GLU 87 1HG GLU 87 -3.719 2.283 -13.974 637 HG3 GLU 87 2HG GLU 87 -4.988 3.022 -14.950 638 H ASP 88 H ASP 88 -0.578 4.522 -13.053 639 HA ASP 88 HA ASP 88 -0.401 1.948 -11.971 640 HB2 ASP 88 1HB ASP 88 1.401 4.312 -12.117 641 HB3 ASP 88 2HB ASP 88 1.817 3.049 -10.962 642 H LEU 89 H LEU 89 -0.531 5.108 -10.358 643 HA LEU 89 HA LEU 89 -0.135 4.477 -7.755 644 HB2 LEU 89 1HB LEU 89 -2.315 6.255 -8.838 645 HB3 LEU 89 2HB LEU 89 -1.750 6.250 -7.169 646 HG LEU 89 HG LEU 89 0.181 6.804 -9.384 647 HD11 LEU 89 1HD1 LEU 89 -0.351 9.119 -9.400 648 HD12 LEU 89 2HD1 LEU 89 -1.538 8.922 -8.112 649 HD13 LEU 89 3HD1 LEU 89 -1.849 8.241 -9.709 650 HD21 LEU 89 3HD2 LEU 89 1.442 6.857 -7.530 651 HD22 LEU 89 1HD2 LEU 89 0.049 7.052 -6.466 652 HD23 LEU 89 2HD2 LEU 89 0.731 8.454 -7.291 653 H ARG 90 H ARG 90 -3.334 4.326 -9.332 654 HA ARG 90 HA ARG 90 -4.524 2.954 -7.125 655 HB2 ARG 90 1HB ARG 90 -6.478 2.721 -8.626 656 HB3 ARG 90 2HB ARG 90 -5.887 4.375 -8.534 657 HG2 ARG 90 1HG ARG 90 -4.609 3.876 -10.672 658 HG3 ARG 90 2HG ARG 90 -5.595 2.416 -10.786 659 HD2 ARG 90 1HD ARG 90 -6.610 4.168 -12.093 660 HD3 ARG 90 2HD ARG 90 -7.623 3.824 -10.692 661 HE ARG 90 HE ARG 90 -5.984 5.891 -9.924 662 HH11 ARG 90 1HH1 ARG 90 -8.325 5.339 -12.441 663 HH12 ARG 90 2HH1 ARG 90 -8.802 7.001 -12.542 664 HH21 ARG 90 1HH2 ARG 90 -6.603 8.083 -10.048 665 HH22 ARG 90 2HH2 ARG 90 -7.821 8.562 -11.182 666 H GLY 91 H GLY 91 -3.507 1.976 -10.391 667 HA2 GLY 91 1HA GLY 91 -2.779 -0.076 -11.151 668 HA3 GLY 91 2HA GLY 91 -2.809 -0.647 -9.489 669 HA PRO 92 HA PRO 92 -7.242 -1.275 -11.382 670 HB2 PRO 92 1HB PRO 92 -7.344 -1.248 -14.094 671 HB3 PRO 92 2HB PRO 92 -7.606 0.196 -13.109 672 HG2 PRO 92 1HG PRO 92 -5.139 -0.688 -14.555 673 HG3 PRO 92 2HG PRO 92 -5.853 0.932 -14.447 674 HD2 PRO 92 1HD PRO 92 -3.737 0.169 -12.940 675 HD3 PRO 92 2HD PRO 92 -4.953 1.327 -12.363 676 H GLY 93 H GLY 93 -8.189 -3.198 -12.356 677 HA2 GLY 93 1HA GLY 93 -6.320 -5.398 -12.349 678 HA3 GLY 93 2HA GLY 93 -8.068 -5.512 -12.482 679 H SER 94 H SER 94 -7.866 -7.070 -14.135 680 HA SER 94 HA SER 94 -7.711 -5.931 -16.767 681 HB2 SER 94 1HB SER 94 -5.548 -7.748 -15.752 682 HB3 SER 94 2HB SER 94 -6.002 -7.786 -17.455 683 HG SER 94 HG SER 94 -5.553 -5.288 -16.312 684 H GLY 95 H GLY 95 -9.599 -6.702 -17.476 685 HA2 GLY 95 1HA GLY 95 -11.119 -8.772 -16.734 686 HA3 GLY 95 2HA GLY 95 -10.974 -8.321 -18.426 687 HA PRO 96 HA PRO 96 -9.023 -12.588 -17.323 688 HB2 PRO 96 1HB PRO 96 -11.163 -14.238 -17.580 689 HB3 PRO 96 2HB PRO 96 -10.677 -13.529 -16.035 690 HG2 PRO 96 1HG PRO 96 -12.827 -12.656 -17.927 691 HG3 PRO 96 2HG PRO 96 -12.871 -12.768 -16.157 692 HD2 PRO 96 1HD PRO 96 -12.500 -10.423 -17.460 693 HD3 PRO 96 2HD PRO 96 -11.770 -10.762 -15.877 694 H SER 97 H SER 97 -8.184 -13.702 -18.997 695 HA SER 97 HA SER 97 -8.745 -12.974 -21.648 696 HB2 SER 97 1HB SER 97 -6.610 -14.045 -20.636 697 HB3 SER 97 2HB SER 97 -7.423 -15.581 -20.935 698 HG SER 97 HG SER 97 -7.224 -13.661 -22.981 699 H SER 98 H SER 98 -10.456 -13.471 -22.830 700 HA SER 98 HA SER 98 -11.716 -16.108 -22.445 701 HB2 SER 98 1HB SER 98 -13.054 -14.077 -21.658 702 HB3 SER 98 2HB SER 98 -13.193 -13.640 -23.361 703 HG SER 98 HG SER 98 -14.460 -15.622 -21.941 704 H GLY 99 H GLY 99 -13.224 -16.551 -24.459 705 HA2 GLY 99 1HA GLY 99 -12.332 -15.552 -26.981 706 HA3 GLY 99 2HA GLY 99 -11.623 -17.121 -26.630 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 13.933 9.705 31.248 2 HA2 GLY 1 1HA GLY 1 11.423 9.305 30.404 3 HA3 GLY 1 2HA GLY 1 11.140 10.107 31.943 4 H SER 2 H SER 2 10.691 12.179 31.678 5 HA SER 2 HA SER 2 10.575 14.265 30.753 6 HB2 SER 2 1HB SER 2 13.543 13.709 30.587 7 HB3 SER 2 2HB SER 2 12.828 15.297 30.307 8 HG SER 2 HG SER 2 12.588 15.539 32.382 9 H SER 3 H SER 3 9.747 12.445 28.932 10 HA SER 3 HA SER 3 11.128 13.037 26.420 11 HB2 SER 3 1HB SER 3 8.943 11.061 27.106 12 HB3 SER 3 2HB SER 3 9.554 11.316 25.472 13 HG SER 3 HG SER 3 11.428 10.824 27.472 14 H GLY 4 H GLY 4 9.843 13.642 24.525 15 HA2 GLY 4 1HA GLY 4 7.499 14.399 23.899 16 HA3 GLY 4 2HA GLY 4 7.640 15.447 25.303 17 H SER 5 H SER 5 7.053 16.724 23.088 18 HA SER 5 HA SER 5 9.589 17.991 22.297 19 HB2 SER 5 1HB SER 5 8.938 18.145 20.038 20 HB3 SER 5 2HB SER 5 8.488 16.505 20.503 21 HG SER 5 HG SER 5 6.924 18.241 19.426 22 H SER 6 H SER 6 9.385 20.233 21.631 23 HA SER 6 HA SER 6 6.941 21.577 22.533 24 HB2 SER 6 1HB SER 6 9.726 22.041 23.572 25 HB3 SER 6 2HB SER 6 8.525 23.332 23.598 26 HG SER 6 HG SER 6 7.937 20.786 24.655 27 H GLY 7 H GLY 7 6.249 22.832 20.942 28 HA2 GLY 7 1HA GLY 7 6.843 24.925 19.706 29 HA3 GLY 7 2HA GLY 7 8.263 24.050 19.152 30 H SER 8 H SER 8 4.942 24.698 18.632 31 HA SER 8 HA SER 8 3.937 22.647 17.186 32 HB2 SER 8 1HB SER 8 3.753 25.614 16.717 33 HB3 SER 8 2HB SER 8 2.900 24.475 15.676 34 HG SER 8 HG SER 8 2.246 23.633 17.963 35 H GLN 9 H GLN 9 3.763 22.281 14.840 36 HA GLN 9 HA GLN 9 6.342 22.773 13.504 37 HB2 GLN 9 1HB GLN 9 4.485 20.407 13.431 38 HB3 GLN 9 2HB GLN 9 5.678 20.676 12.167 39 HG2 GLN 9 1HG GLN 9 7.393 20.783 14.053 40 HG3 GLN 9 2HG GLN 9 6.130 20.091 15.069 41 HE21 GLN 9 1HE2 GLN 9 6.909 18.099 15.418 42 HE22 GLN 9 2HE2 GLN 9 7.252 16.946 14.179 43 H GLY 10 H GLY 10 2.922 22.079 12.742 44 HA2 GLY 10 1HA GLY 10 1.698 23.781 11.454 45 HA3 GLY 10 2HA GLY 10 3.163 23.998 10.508 46 H ASP 11 H ASP 11 0.255 23.049 10.009 47 HA ASP 11 HA ASP 11 0.111 20.432 9.222 48 HB2 ASP 11 1HB ASP 11 -1.706 21.025 7.869 49 HB3 ASP 11 2HB ASP 11 -1.663 22.306 9.078 50 H CYS 12 H CYS 12 0.293 19.410 7.116 51 HA CYS 12 HA CYS 12 2.560 20.489 5.576 52 HB2 CYS 12 1HB CYS 12 2.893 18.309 6.835 53 HB3 CYS 12 2HB CYS 12 1.734 17.590 5.723 54 HG CYS 12 HG CYS 12 3.284 17.433 3.611 55 H SER 13 H SER 13 2.385 20.723 3.409 56 HA SER 13 HA SER 13 -0.271 20.371 2.263 57 HB2 SER 13 1HB SER 13 1.324 22.475 2.074 58 HB3 SER 13 2HB SER 13 1.997 21.563 0.722 59 HG SER 13 HG SER 13 0.061 21.639 -0.304 60 H TYR 14 H TYR 14 3.072 19.752 1.178 61 HA TYR 14 HA TYR 14 2.330 18.021 -0.920 62 HB2 TYR 14 1HB TYR 14 4.849 18.786 0.435 63 HB3 TYR 14 2HB TYR 14 4.865 17.238 -0.403 64 HD1 TYR 14 2HD TYR 14 4.497 20.874 -0.813 65 HD2 TYR 14 1HD TYR 14 4.782 17.124 -2.803 66 HE1 TYR 14 2HE TYR 14 4.869 22.040 -2.947 67 HE2 TYR 14 1HE TYR 14 5.155 18.280 -4.942 68 HH TYR 14 HH TYR 14 4.488 20.743 -5.843 69 H SER 15 H SER 15 1.838 15.921 -0.967 70 HA SER 15 HA SER 15 2.103 14.394 1.538 71 HB2 SER 15 1HB SER 15 0.158 13.156 0.935 72 HB3 SER 15 2HB SER 15 -0.229 14.849 0.629 73 HG SER 15 HG SER 15 -0.594 13.022 -1.057 74 H ARG 16 H ARG 16 3.861 14.785 -1.012 75 HA ARG 16 HA ARG 16 4.141 12.592 -2.558 76 HB2 ARG 16 1HB ARG 16 6.488 13.061 -2.734 77 HB3 ARG 16 2HB ARG 16 5.639 14.591 -2.561 78 HG2 ARG 16 1HG ARG 16 6.215 14.575 -0.146 79 HG3 ARG 16 2HG ARG 16 7.181 13.126 -0.433 80 HD2 ARG 16 1HD ARG 16 7.655 15.547 -2.108 81 HD3 ARG 16 2HD ARG 16 8.281 15.509 -0.461 82 HE ARG 16 HE ARG 16 9.259 14.033 -2.718 83 HH11 ARG 16 1HH1 ARG 16 9.011 14.101 0.754 84 HH12 ARG 16 2HH1 ARG 16 10.403 13.100 1.003 85 HH21 ARG 16 1HH2 ARG 16 11.093 12.714 -2.403 86 HH22 ARG 16 2HH2 ARG 16 11.587 12.313 -0.793 87 H THR 17 H THR 17 4.619 12.736 0.862 88 HA THR 17 HA THR 17 5.588 9.952 0.850 89 HB THR 17 HB THR 17 6.335 10.476 3.233 90 HG1 THR 17 1HG THR 17 5.058 12.633 2.955 91 HG21 THR 17 3HG2 THR 17 7.554 11.442 0.710 92 HG22 THR 17 1HG2 THR 17 8.161 10.280 1.889 93 HG23 THR 17 2HG2 THR 17 8.277 12.009 2.215 94 H ALA 18 H ALA 18 2.984 10.050 0.487 95 HA ALA 18 HA ALA 18 1.672 9.897 3.104 96 HB1 ALA 18 3HB ALA 18 0.294 9.653 0.448 97 HB2 ALA 18 1HB ALA 18 -0.383 10.129 2.006 98 HB3 ALA 18 2HB ALA 18 0.703 11.220 1.146 99 H LEU 19 H LEU 19 1.891 8.009 0.085 100 HA LEU 19 HA LEU 19 0.603 5.718 0.854 101 HB2 LEU 19 1HB LEU 19 3.166 5.548 -0.681 102 HB3 LEU 19 2HB LEU 19 1.686 4.614 -0.886 103 HG LEU 19 HG LEU 19 2.171 7.471 -1.717 104 HD11 LEU 19 1HD1 LEU 19 2.130 4.855 -3.079 105 HD12 LEU 19 2HD1 LEU 19 3.009 6.332 -3.474 106 HD13 LEU 19 3HD1 LEU 19 1.306 6.179 -3.903 107 HD21 LEU 19 3HD2 LEU 19 -0.095 7.543 -2.490 108 HD22 LEU 19 1HD2 LEU 19 -0.107 7.115 -0.779 109 HD23 LEU 19 2HD2 LEU 19 -0.367 5.869 -2.000 110 H TYR 20 H TYR 20 3.565 6.953 2.058 111 HA TYR 20 HA TYR 20 4.514 4.428 3.095 112 HB2 TYR 20 1HB TYR 20 5.478 7.239 3.660 113 HB3 TYR 20 2HB TYR 20 6.313 5.752 4.096 114 HD1 TYR 20 2HD TYR 20 5.077 7.678 1.161 115 HD2 TYR 20 1HD TYR 20 7.829 4.774 2.610 116 HE1 TYR 20 2HE TYR 20 6.232 7.698 -1.010 117 HE2 TYR 20 1HE TYR 20 8.992 4.787 0.443 118 HH TYR 20 HH TYR 20 9.270 6.112 -1.489 119 H ASP 21 H ASP 21 3.539 7.508 4.612 120 HA ASP 21 HA ASP 21 3.463 6.733 7.233 121 HB2 ASP 21 1HB ASP 21 3.032 8.988 6.927 122 HB3 ASP 21 2HB ASP 21 1.851 8.696 5.653 123 H LEU 22 H LEU 22 1.031 6.143 4.751 124 HA LEU 22 HA LEU 22 -1.081 5.235 6.266 125 HB2 LEU 22 1HB LEU 22 -0.060 4.592 3.548 126 HB3 LEU 22 2HB LEU 22 -1.331 3.575 4.222 127 HG LEU 22 HG LEU 22 -2.470 5.944 4.635 128 HD11 LEU 22 1HD1 LEU 22 -2.016 7.293 2.520 129 HD12 LEU 22 2HD1 LEU 22 -0.512 6.379 2.403 130 HD13 LEU 22 3HD1 LEU 22 -0.822 7.390 3.815 131 HD21 LEU 22 3HD2 LEU 22 -2.573 3.919 2.565 132 HD22 LEU 22 1HD2 LEU 22 -3.082 5.499 1.971 133 HD23 LEU 22 2HD2 LEU 22 -3.885 4.782 3.368 134 H LEU 23 H LEU 23 1.803 3.461 5.244 135 HA LEU 23 HA LEU 23 0.915 1.075 6.658 136 HB2 LEU 23 1HB LEU 23 3.065 1.732 4.724 137 HB3 LEU 23 2HB LEU 23 3.362 0.405 5.846 138 HG LEU 23 HG LEU 23 1.365 -0.743 5.010 139 HD11 LEU 23 1HD1 LEU 23 0.980 0.808 2.616 140 HD12 LEU 23 2HD1 LEU 23 0.665 1.781 4.052 141 HD13 LEU 23 3HD1 LEU 23 -0.203 0.266 3.807 142 HD21 LEU 23 3HD2 LEU 23 2.263 -1.425 2.905 143 HD22 LEU 23 1HD2 LEU 23 3.616 -1.073 3.980 144 HD23 LEU 23 2HD2 LEU 23 3.156 0.087 2.733 145 H GLY 24 H GLY 24 3.240 3.678 6.964 146 HA2 GLY 24 1HA GLY 24 4.028 4.409 9.088 147 HA3 GLY 24 2HA GLY 24 3.778 2.783 9.707 148 H VAL 25 H VAL 25 5.353 3.268 6.650 149 HA VAL 25 HA VAL 25 7.894 2.435 7.888 150 HB VAL 25 HB VAL 25 8.505 1.451 5.738 151 HG11 VAL 25 1HG1 VAL 25 7.038 -0.444 5.790 152 HG12 VAL 25 2HG1 VAL 25 7.253 0.135 7.444 153 HG13 VAL 25 3HG1 VAL 25 5.767 0.501 6.566 154 HG21 VAL 25 3HG2 VAL 25 6.705 1.234 3.987 155 HG22 VAL 25 1HG2 VAL 25 5.811 2.473 4.868 156 HG23 VAL 25 2HG2 VAL 25 7.389 2.849 4.176 157 HA PRO 26 HA PRO 26 9.834 6.140 6.543 158 HB2 PRO 26 1HB PRO 26 12.367 5.254 6.129 159 HB3 PRO 26 2HB PRO 26 11.672 5.458 7.742 160 HG2 PRO 26 1HG PRO 26 11.975 2.966 6.111 161 HG3 PRO 26 2HG PRO 26 12.275 3.214 7.841 162 HD2 PRO 26 1HD PRO 26 10.011 2.061 6.905 163 HD3 PRO 26 2HD PRO 26 10.041 3.049 8.380 164 H SER 27 H SER 27 11.326 6.979 4.759 165 HA SER 27 HA SER 27 10.176 6.299 2.244 166 HB2 SER 27 1HB SER 27 12.471 8.124 2.987 167 HB3 SER 27 2HB SER 27 11.844 7.963 1.347 168 HG SER 27 HG SER 27 10.197 9.159 1.874 169 H THR 28 H THR 28 12.978 5.271 3.966 170 HA THR 28 HA THR 28 14.010 3.924 1.558 171 HB THR 28 HB THR 28 16.161 3.781 2.629 172 HG1 THR 28 1HG THR 28 15.778 3.509 4.764 173 HG21 THR 28 3HG2 THR 28 16.309 6.388 3.319 174 HG22 THR 28 1HG2 THR 28 14.794 6.387 2.418 175 HG23 THR 28 2HG2 THR 28 16.277 5.818 1.651 176 H ALA 29 H ALA 29 11.801 3.082 3.421 177 HA ALA 29 HA ALA 29 12.616 0.978 5.071 178 HB1 ALA 29 3HB ALA 29 10.399 0.508 5.338 179 HB2 ALA 29 1HB ALA 29 10.278 2.146 4.695 180 HB3 ALA 29 2HB ALA 29 10.024 0.761 3.633 181 H THR 30 H THR 30 12.003 -1.366 4.658 182 HA THR 30 HA THR 30 12.890 -2.136 1.953 183 HB THR 30 HB THR 30 14.553 -2.682 3.690 184 HG1 THR 30 1HG THR 30 14.344 -5.131 3.239 185 HG21 THR 30 3HG2 THR 30 12.889 -3.003 5.531 186 HG22 THR 30 1HG2 THR 30 14.101 -4.279 5.422 187 HG23 THR 30 2HG2 THR 30 12.471 -4.556 4.810 188 H GLN 31 H GLN 31 12.066 -4.165 1.128 189 HA GLN 31 HA GLN 31 9.379 -4.427 1.026 190 HB2 GLN 31 1HB GLN 31 11.274 -5.734 -0.209 191 HB3 GLN 31 2HB GLN 31 11.025 -6.933 1.053 192 HG2 GLN 31 1HG GLN 31 9.763 -7.445 -0.976 193 HG3 GLN 31 2HG GLN 31 8.711 -7.181 0.413 194 HE21 GLN 31 1HE2 GLN 31 7.203 -5.623 0.326 195 HE22 GLN 31 2HE2 GLN 31 6.975 -4.551 -1.009 196 H ALA 32 H ALA 32 11.484 -6.181 3.295 197 HA ALA 32 HA ALA 32 9.660 -7.731 4.615 198 HB1 ALA 32 3HB ALA 32 12.293 -6.937 5.052 199 HB2 ALA 32 1HB ALA 32 11.435 -6.504 6.531 200 HB3 ALA 32 2HB ALA 32 11.391 -8.166 5.940 201 H GLN 33 H GLN 33 10.316 -4.293 5.138 202 HA GLN 33 HA GLN 33 8.428 -4.082 7.296 203 HB2 GLN 33 1HB GLN 33 9.862 -1.958 5.693 204 HB3 GLN 33 2HB GLN 33 8.876 -1.644 7.115 205 HG2 GLN 33 1HG GLN 33 10.403 -3.049 8.445 206 HG3 GLN 33 2HG GLN 33 11.412 -3.261 7.016 207 HE21 GLN 33 1HE2 GLN 33 13.170 -2.082 7.184 208 HE22 GLN 33 2HE2 GLN 33 13.262 -0.464 7.780 209 H ILE 34 H ILE 34 8.551 -2.614 4.044 210 HA ILE 34 HA ILE 34 6.086 -1.477 3.911 211 HB ILE 34 HB ILE 34 7.416 -3.027 1.686 212 HG12 ILE 34 1HG1 ILE 34 7.520 -0.067 2.293 213 HG13 ILE 34 2HG1 ILE 34 8.779 -1.209 2.751 214 HG21 ILE 34 1HG2 ILE 34 5.244 -2.688 0.933 215 HG22 ILE 34 2HG2 ILE 34 5.106 -1.124 1.734 216 HG23 ILE 34 3HG2 ILE 34 6.110 -1.291 0.294 217 HD11 ILE 34 3HD1 ILE 34 9.644 -0.409 0.808 218 HD12 ILE 34 1HD1 ILE 34 8.721 -1.775 0.183 219 HD13 ILE 34 2HD1 ILE 34 8.060 -0.143 0.080 220 H LYS 35 H LYS 35 6.838 -4.889 3.734 221 HA LYS 35 HA LYS 35 4.162 -5.645 2.959 222 HB2 LYS 35 1HB LYS 35 6.211 -6.937 2.308 223 HB3 LYS 35 2HB LYS 35 6.390 -7.406 3.993 224 HG2 LYS 35 1HG LYS 35 3.895 -8.215 3.654 225 HG3 LYS 35 2HG LYS 35 4.417 -8.301 1.969 226 HD2 LYS 35 1HD LYS 35 6.226 -9.780 2.556 227 HD3 LYS 35 2HD LYS 35 5.868 -9.599 4.274 228 HE2 LYS 35 1HE LYS 35 3.969 -10.902 4.150 229 HE3 LYS 35 2HE LYS 35 3.741 -10.591 2.430 230 HZ1 LYS 35 3HZ LYS 35 4.764 -12.492 2.011 231 HZ2 LYS 35 1HZ LYS 35 5.048 -12.753 3.658 232 HZ3 LYS 35 2HZ LYS 35 6.179 -11.905 2.729 233 H ALA 36 H ALA 36 6.173 -6.105 5.867 234 HA ALA 36 HA ALA 36 4.336 -7.322 7.512 235 HB1 ALA 36 3HB ALA 36 6.128 -7.213 8.817 236 HB2 ALA 36 1HB ALA 36 6.816 -5.910 7.847 237 HB3 ALA 36 2HB ALA 36 5.712 -5.537 9.171 238 H ALA 37 H ALA 37 4.737 -3.857 6.893 239 HA ALA 37 HA ALA 37 2.861 -2.920 8.755 240 HB1 ALA 37 3HB ALA 37 2.759 -0.900 7.246 241 HB2 ALA 37 1HB ALA 37 4.366 -1.359 7.811 242 HB3 ALA 37 2HB ALA 37 3.861 -1.756 6.168 243 H TYR 38 H TYR 38 2.434 -3.264 5.226 244 HA TYR 38 HA TYR 38 -0.231 -2.722 5.020 245 HB2 TYR 38 1HB TYR 38 1.037 -3.114 3.035 246 HB3 TYR 38 2HB TYR 38 1.420 -4.761 3.526 247 HD1 TYR 38 1HD TYR 38 -1.448 -2.571 2.599 248 HD2 TYR 38 2HD TYR 38 0.092 -6.533 2.795 249 HE1 TYR 38 1HE TYR 38 -3.408 -3.388 1.359 250 HE2 TYR 38 2HE TYR 38 -1.863 -7.360 1.555 251 HH TYR 38 HH TYR 38 -4.149 -6.711 1.075 252 H TYR 39 H TYR 39 1.172 -5.940 5.626 253 HA TYR 39 HA TYR 39 -1.185 -7.380 5.842 254 HB2 TYR 39 1HB TYR 39 1.578 -7.717 6.894 255 HB3 TYR 39 2HB TYR 39 0.317 -8.722 7.600 256 HD1 TYR 39 2HD TYR 39 1.689 -7.705 4.282 257 HD2 TYR 39 1HD TYR 39 -0.240 -10.726 6.574 258 HE1 TYR 39 2HE TYR 39 1.867 -9.253 2.379 259 HE2 TYR 39 1HE TYR 39 -0.066 -12.283 4.678 260 HH TYR 39 HH TYR 39 1.916 -12.039 2.274 261 H ARG 40 H ARG 40 0.618 -5.698 8.402 262 HA ARG 40 HA ARG 40 -0.911 -6.378 10.589 263 HB2 ARG 40 1HB ARG 40 0.691 -3.955 9.878 264 HB3 ARG 40 2HB ARG 40 -0.294 -3.927 11.335 265 HG2 ARG 40 1HG ARG 40 0.872 -6.004 12.074 266 HG3 ARG 40 2HG ARG 40 1.947 -5.824 10.687 267 HD2 ARG 40 1HD ARG 40 3.185 -4.744 12.271 268 HD3 ARG 40 2HD ARG 40 2.229 -3.390 11.670 269 HE ARG 40 HE ARG 40 0.891 -4.646 13.817 270 HH11 ARG 40 1HH1 ARG 40 3.617 -2.593 13.128 271 HH12 ARG 40 2HH1 ARG 40 3.593 -1.820 14.679 272 HH21 ARG 40 1HH2 ARG 40 0.849 -3.636 15.862 273 HH22 ARG 40 2HH2 ARG 40 2.019 -2.415 16.233 274 H GLN 41 H GLN 41 -1.443 -3.702 8.314 275 HA GLN 41 HA GLN 41 -3.541 -2.390 9.426 276 HB2 GLN 41 1HB GLN 41 -3.365 -3.181 6.513 277 HB3 GLN 41 2HB GLN 41 -4.301 -1.845 7.169 278 HG2 GLN 41 1HG GLN 41 -1.325 -2.114 6.954 279 HG3 GLN 41 2HG GLN 41 -2.374 -0.872 6.273 280 HE21 GLN 41 1HE2 GLN 41 -0.092 -1.296 8.472 281 HE22 GLN 41 2HE2 GLN 41 -0.571 -0.151 9.674 282 H CYS 42 H CYS 42 -4.022 -5.070 7.117 283 HA CYS 42 HA CYS 42 -6.683 -5.450 7.275 284 HB2 CYS 42 1HB CYS 42 -4.843 -6.851 6.074 285 HB3 CYS 42 2HB CYS 42 -4.914 -7.863 7.512 286 HG CYS 42 HG CYS 42 -7.638 -7.176 5.561 287 H PHE 43 H PHE 43 -4.334 -6.711 9.621 288 HA PHE 43 HA PHE 43 -6.251 -7.968 11.281 289 HB2 PHE 43 1HB PHE 43 -4.059 -8.745 11.563 290 HB3 PHE 43 2HB PHE 43 -3.395 -7.118 11.659 291 HD1 PHE 43 2HD PHE 43 -5.409 -9.624 13.484 292 HD2 PHE 43 1HD PHE 43 -3.138 -6.032 13.723 293 HE1 PHE 43 2HE PHE 43 -5.481 -9.746 15.940 294 HE2 PHE 43 1HE PHE 43 -3.205 -6.149 16.180 295 HZ PHE 43 HZ PHE 43 -4.379 -8.007 17.291 296 H LEU 44 H LEU 44 -4.661 -4.802 11.421 297 HA LEU 44 HA LEU 44 -5.704 -3.923 13.850 298 HB2 LEU 44 1HB LEU 44 -4.850 -2.469 11.367 299 HB3 LEU 44 2HB LEU 44 -5.441 -1.608 12.787 300 HG LEU 44 HG LEU 44 -3.139 -3.516 13.000 301 HD11 LEU 44 1HD1 LEU 44 -2.904 -1.649 11.177 302 HD12 LEU 44 2HD1 LEU 44 -1.591 -1.976 12.307 303 HD13 LEU 44 3HD1 LEU 44 -2.666 -0.606 12.578 304 HD21 LEU 44 3HD2 LEU 44 -4.161 -2.742 15.063 305 HD22 LEU 44 1HD2 LEU 44 -3.981 -1.066 14.546 306 HD23 LEU 44 2HD2 LEU 44 -2.551 -2.045 14.877 307 H TYR 45 H TYR 45 -7.092 -3.881 10.616 308 HA TYR 45 HA TYR 45 -9.638 -2.989 11.800 309 HB2 TYR 45 1HB TYR 45 -8.708 -2.408 8.983 310 HB3 TYR 45 2HB TYR 45 -10.169 -1.808 9.760 311 HD1 TYR 45 2HD TYR 45 -6.458 -1.679 9.959 312 HD2 TYR 45 1HD TYR 45 -10.140 0.216 10.936 313 HE1 TYR 45 2HE TYR 45 -5.226 0.306 10.728 314 HE2 TYR 45 1HE TYR 45 -8.918 2.206 11.707 315 HH TYR 45 HH TYR 45 -5.435 2.229 11.987 316 H HIS 46 H HIS 46 -10.042 -5.284 12.101 317 HA HIS 46 HA HIS 46 -10.290 -6.989 9.800 318 HB2 HIS 46 1HB HIS 46 -10.737 -7.255 12.728 319 HB3 HIS 46 2HB HIS 46 -11.610 -8.366 11.678 320 HD2 HIS 46 2HD HIS 46 -8.543 -8.551 13.600 321 HE1 HIS 46 1HE HIS 46 -7.531 -10.542 9.993 322 HE2 HIS 46 2HE HIS 46 -6.927 -10.185 12.412 323 HA PRO 47 HA PRO 47 -14.412 -6.115 8.577 324 HB2 PRO 47 1HB PRO 47 -15.269 -8.568 7.793 325 HB3 PRO 47 2HB PRO 47 -14.100 -7.619 6.868 326 HG2 PRO 47 1HG PRO 47 -13.622 -9.880 8.770 327 HG3 PRO 47 2HG PRO 47 -12.873 -9.567 7.194 328 HD2 PRO 47 1HD PRO 47 -11.643 -8.981 9.534 329 HD3 PRO 47 2HD PRO 47 -11.400 -8.020 8.061 330 H ASP 48 H ASP 48 -14.100 -9.019 10.609 331 HA ASP 48 HA ASP 48 -16.720 -9.309 11.424 332 HB2 ASP 48 1HB ASP 48 -14.179 -9.785 12.993 333 HB3 ASP 48 2HB ASP 48 -15.772 -10.338 13.503 334 H ARG 49 H ARG 49 -14.225 -7.727 13.424 335 HA ARG 49 HA ARG 49 -15.868 -6.588 15.300 336 HB2 ARG 49 1HB ARG 49 -14.037 -4.719 15.324 337 HB3 ARG 49 2HB ARG 49 -13.624 -6.362 15.796 338 HG2 ARG 49 1HG ARG 49 -12.491 -6.779 13.801 339 HG3 ARG 49 2HG ARG 49 -13.248 -5.411 12.981 340 HD2 ARG 49 1HD ARG 49 -11.203 -4.501 13.409 341 HD3 ARG 49 2HD ARG 49 -12.032 -4.057 14.901 342 HE ARG 49 HE ARG 49 -10.677 -6.592 15.029 343 HH11 ARG 49 1HH1 ARG 49 -10.366 -3.147 15.426 344 HH12 ARG 49 2HH1 ARG 49 -9.016 -3.262 16.506 345 HH21 ARG 49 1HH2 ARG 49 -8.901 -6.756 16.450 346 HH22 ARG 49 2HH2 ARG 49 -8.183 -5.316 17.087 347 H ASN 50 H ASN 50 -15.028 -5.328 12.109 348 HA ASN 50 HA ASN 50 -17.152 -3.313 12.436 349 HB2 ASN 50 1HB ASN 50 -14.722 -2.920 10.693 350 HB3 ASN 50 2HB ASN 50 -15.893 -1.713 11.214 351 HD21 ASN 50 1HD2 ASN 50 -13.192 -3.690 12.177 352 HD22 ASN 50 2HD2 ASN 50 -12.794 -2.799 13.603 353 H SER 51 H SER 51 -18.790 -4.294 11.366 354 HA SER 51 HA SER 51 -18.330 -5.624 8.834 355 HB2 SER 51 1HB SER 51 -20.805 -6.025 8.916 356 HB3 SER 51 2HB SER 51 -19.935 -6.641 10.320 357 HG SER 51 HG SER 51 -20.662 -4.912 11.512 358 H GLY 52 H GLY 52 -18.521 -4.722 6.889 359 HA2 GLY 52 1HA GLY 52 -18.659 -2.958 5.383 360 HA3 GLY 52 2HA GLY 52 -20.352 -3.070 5.839 361 H SER 53 H SER 53 -17.396 -1.806 7.385 362 HA SER 53 HA SER 53 -18.724 0.282 8.727 363 HB2 SER 53 1HB SER 53 -16.544 1.102 9.300 364 HB3 SER 53 2HB SER 53 -16.450 -0.659 9.296 365 HG SER 53 HG SER 53 -15.820 -0.130 6.911 366 H ALA 54 H ALA 54 -18.066 2.645 8.386 367 HA ALA 54 HA ALA 54 -18.368 3.282 5.525 368 HB1 ALA 54 3HB ALA 54 -19.823 4.964 6.025 369 HB2 ALA 54 1HB ALA 54 -20.165 3.878 7.372 370 HB3 ALA 54 2HB ALA 54 -19.104 5.268 7.607 371 H GLU 55 H GLU 55 -16.628 4.004 8.475 372 HA GLU 55 HA GLU 55 -15.074 6.097 7.174 373 HB2 GLU 55 1HB GLU 55 -15.091 5.018 9.993 374 HB3 GLU 55 2HB GLU 55 -13.951 6.235 9.435 375 HG2 GLU 55 1HG GLU 55 -15.535 7.585 10.334 376 HG3 GLU 55 2HG GLU 55 -16.157 7.466 8.689 377 H ALA 56 H ALA 56 -14.429 3.032 8.877 378 HA ALA 56 HA ALA 56 -11.703 2.878 8.254 379 HB1 ALA 56 3HB ALA 56 -12.083 0.368 8.628 380 HB2 ALA 56 1HB ALA 56 -12.427 1.467 9.963 381 HB3 ALA 56 2HB ALA 56 -13.749 0.815 8.994 382 H ALA 57 H ALA 57 -14.554 1.925 6.448 383 HA ALA 57 HA ALA 57 -13.520 0.233 4.547 384 HB1 ALA 57 3HB ALA 57 -15.507 0.471 3.551 385 HB2 ALA 57 1HB ALA 57 -15.909 1.521 4.910 386 HB3 ALA 57 2HB ALA 57 -15.326 2.219 3.399 387 H GLU 58 H GLU 58 -13.814 3.773 4.161 388 HA GLU 58 HA GLU 58 -12.547 4.126 1.783 389 HB2 GLU 58 1HB GLU 58 -12.447 5.809 4.279 390 HB3 GLU 58 2HB GLU 58 -11.692 6.325 2.778 391 HG2 GLU 58 1HG GLU 58 -14.567 5.519 2.826 392 HG3 GLU 58 2HG GLU 58 -14.076 7.131 3.342 393 H ARG 59 H ARG 59 -10.843 4.324 4.914 394 HA ARG 59 HA ARG 59 -8.267 4.513 4.032 395 HB2 ARG 59 1HB ARG 59 -9.235 4.403 6.446 396 HB3 ARG 59 2HB ARG 59 -8.909 2.680 6.320 397 HG2 ARG 59 1HG ARG 59 -6.549 3.170 5.864 398 HG3 ARG 59 2HG ARG 59 -6.888 4.894 6.036 399 HD2 ARG 59 1HD ARG 59 -7.429 2.868 8.197 400 HD3 ARG 59 2HD ARG 59 -5.919 3.769 8.068 401 HE ARG 59 HE ARG 59 -8.401 4.728 9.087 402 HH11 ARG 59 1HH1 ARG 59 -5.525 5.685 7.373 403 HH12 ARG 59 2HH1 ARG 59 -5.615 7.339 7.882 404 HH21 ARG 59 1HH2 ARG 59 -8.530 6.903 9.763 405 HH22 ARG 59 2HH2 ARG 59 -7.325 8.030 9.242 406 H PHE 60 H PHE 60 -9.905 1.436 4.800 407 HA PHE 60 HA PHE 60 -8.020 -0.379 4.125 408 HB2 PHE 60 1HB PHE 60 -10.522 -0.695 4.799 409 HB3 PHE 60 2HB PHE 60 -10.797 -0.785 3.062 410 HD1 PHE 60 1HD PHE 60 -8.213 -2.148 5.389 411 HD2 PHE 60 2HD PHE 60 -11.079 -2.937 2.342 412 HE1 PHE 60 1HE PHE 60 -7.585 -4.527 5.418 413 HE2 PHE 60 2HE PHE 60 -10.456 -5.317 2.368 414 HZ PHE 60 HZ PHE 60 -8.708 -6.115 3.908 415 H THR 61 H THR 61 -10.026 1.446 1.866 416 HA THR 61 HA THR 61 -9.155 0.125 -0.482 417 HB THR 61 HB THR 61 -10.284 2.911 -0.152 418 HG1 THR 61 1HG THR 61 -12.221 1.823 -0.856 419 HG21 THR 61 3HG2 THR 61 -8.963 2.239 -2.315 420 HG22 THR 61 1HG2 THR 61 -10.507 3.081 -2.442 421 HG23 THR 61 2HG2 THR 61 -10.431 1.335 -2.685 422 H ARG 62 H ARG 62 -8.130 3.150 1.078 423 HA ARG 62 HA ARG 62 -6.169 3.825 -0.835 424 HB2 ARG 62 1HB ARG 62 -6.573 4.607 2.046 425 HB3 ARG 62 2HB ARG 62 -5.231 5.224 1.092 426 HG2 ARG 62 1HG ARG 62 -6.899 6.091 -0.551 427 HG3 ARG 62 2HG ARG 62 -8.168 5.625 0.584 428 HD2 ARG 62 1HD ARG 62 -5.894 7.386 1.431 429 HD3 ARG 62 2HD ARG 62 -7.310 8.054 0.621 430 HE ARG 62 HE ARG 62 -7.160 7.048 3.320 431 HH11 ARG 62 1HH1 ARG 62 -9.234 7.845 0.640 432 HH12 ARG 62 2HH1 ARG 62 -10.644 8.054 1.625 433 HH21 ARG 62 1HH2 ARG 62 -9.009 7.320 4.627 434 HH22 ARG 62 2HH2 ARG 62 -10.515 7.755 3.893 435 H ILE 63 H ILE 63 -5.837 2.337 2.388 436 HA ILE 63 HA ILE 63 -3.197 1.944 2.635 437 HB ILE 63 HB ILE 63 -5.277 -0.194 3.109 438 HG12 ILE 63 1HG1 ILE 63 -4.080 1.801 5.041 439 HG13 ILE 63 2HG1 ILE 63 -5.646 2.000 4.261 440 HG21 ILE 63 1HG2 ILE 63 -2.841 -0.921 3.017 441 HG22 ILE 63 2HG2 ILE 63 -2.613 0.045 4.474 442 HG23 ILE 63 3HG2 ILE 63 -3.735 -1.315 4.485 443 HD11 ILE 63 3HD1 ILE 63 -4.836 -0.130 6.220 444 HD12 ILE 63 1HD1 ILE 63 -6.010 1.165 6.455 445 HD13 ILE 63 2HD1 ILE 63 -6.354 -0.142 5.322 446 H SER 64 H SER 64 -5.298 -0.240 0.758 447 HA SER 64 HA SER 64 -3.427 -2.027 -0.157 448 HB2 SER 64 1HB SER 64 -6.028 -1.794 -0.598 449 HB3 SER 64 2HB SER 64 -5.479 -1.052 -2.100 450 HG SER 64 HG SER 64 -4.450 -2.929 -2.647 451 H GLN 65 H GLN 65 -4.372 1.026 -1.729 452 HA GLN 65 HA GLN 65 -2.815 0.994 -3.959 453 HB2 GLN 65 1HB GLN 65 -3.140 3.400 -2.160 454 HB3 GLN 65 2HB GLN 65 -2.782 3.419 -3.882 455 HG2 GLN 65 1HG GLN 65 -5.047 2.059 -3.994 456 HG3 GLN 65 2HG GLN 65 -5.340 2.908 -2.477 457 HE21 GLN 65 1HE2 GLN 65 -7.107 3.629 -4.096 458 HE22 GLN 65 2HE2 GLN 65 -6.781 5.110 -4.923 459 H ALA 66 H ALA 66 -1.756 2.193 -0.774 460 HA ALA 66 HA ALA 66 0.839 2.868 -1.357 461 HB1 ALA 66 3HB ALA 66 0.128 3.392 0.793 462 HB2 ALA 66 1HB ALA 66 -0.418 1.747 1.120 463 HB3 ALA 66 2HB ALA 66 1.307 2.108 1.061 464 H TYR 67 H TYR 67 -0.544 -0.316 -1.048 465 HA TYR 67 HA TYR 67 2.062 -1.607 -1.055 466 HB2 TYR 67 1HB TYR 67 -0.040 -2.397 0.241 467 HB3 TYR 67 2HB TYR 67 -0.569 -3.038 -1.310 468 HD1 TYR 67 1HD TYR 67 2.834 -2.947 0.212 469 HD2 TYR 67 2HD TYR 67 -0.411 -5.350 -1.130 470 HE1 TYR 67 1HE TYR 67 4.181 -4.970 0.594 471 HE2 TYR 67 2HE TYR 67 0.926 -7.379 -0.750 472 HH TYR 67 HH TYR 67 4.002 -7.546 -0.569 473 H VAL 68 H VAL 68 1.023 0.015 -3.349 474 HA VAL 68 HA VAL 68 1.262 -2.069 -5.421 475 HB VAL 68 HB VAL 68 -0.345 0.485 -5.574 476 HG11 VAL 68 1HG1 VAL 68 -1.032 -0.355 -7.799 477 HG12 VAL 68 2HG1 VAL 68 0.685 0.042 -7.710 478 HG13 VAL 68 3HG1 VAL 68 0.163 -1.642 -7.650 479 HG21 VAL 68 3HG2 VAL 68 -2.094 -0.707 -4.896 480 HG22 VAL 68 1HG2 VAL 68 -1.805 -1.907 -6.156 481 HG23 VAL 68 2HG2 VAL 68 -1.014 -2.067 -4.587 482 H VAL 69 H VAL 69 1.607 1.453 -4.952 483 HA VAL 69 HA VAL 69 3.465 1.771 -7.073 484 HB VAL 69 HB VAL 69 2.948 3.579 -4.708 485 HG11 VAL 69 1HG1 VAL 69 3.779 5.277 -6.537 486 HG12 VAL 69 2HG1 VAL 69 4.927 4.409 -5.516 487 HG13 VAL 69 3HG1 VAL 69 4.613 3.855 -7.162 488 HG21 VAL 69 3HG2 VAL 69 1.506 3.068 -7.213 489 HG22 VAL 69 1HG2 VAL 69 0.939 3.770 -5.697 490 HG23 VAL 69 2HG2 VAL 69 1.802 4.772 -6.865 491 H LEU 70 H LEU 70 3.793 1.215 -3.616 492 HA LEU 70 HA LEU 70 6.701 1.407 -3.796 493 HB2 LEU 70 1HB LEU 70 5.170 0.696 -1.323 494 HB3 LEU 70 2HB LEU 70 6.749 1.466 -1.465 495 HG LEU 70 HG LEU 70 4.269 2.878 -2.381 496 HD11 LEU 70 1HD1 LEU 70 5.289 3.419 0.340 497 HD12 LEU 70 2HD1 LEU 70 4.333 1.955 0.122 498 HD13 LEU 70 3HD1 LEU 70 3.650 3.524 -0.303 499 HD21 LEU 70 3HD2 LEU 70 7.090 3.486 -2.039 500 HD22 LEU 70 1HD2 LEU 70 6.042 4.649 -1.227 501 HD23 LEU 70 2HD2 LEU 70 5.849 4.344 -2.953 502 H GLY 71 H GLY 71 4.190 -0.932 -3.777 503 HA2 GLY 71 1HA GLY 71 5.261 -3.169 -2.626 504 HA3 GLY 71 2HA GLY 71 4.288 -3.212 -4.089 505 H SER 72 H SER 72 6.169 -1.741 -5.711 506 HA SER 72 HA SER 72 8.244 -3.814 -5.993 507 HB2 SER 72 1HB SER 72 6.707 -2.227 -8.035 508 HB3 SER 72 2HB SER 72 8.264 -2.949 -8.439 509 HG SER 72 HG SER 72 7.382 -4.870 -8.428 510 H ALA 73 H ALA 73 10.274 -3.198 -5.692 511 HA ALA 73 HA ALA 73 11.108 -0.721 -4.862 512 HB1 ALA 73 3HB ALA 73 12.643 -2.401 -4.487 513 HB2 ALA 73 1HB ALA 73 12.545 -3.006 -6.141 514 HB3 ALA 73 2HB ALA 73 13.406 -1.504 -5.800 515 H THR 74 H THR 74 11.110 -1.984 -8.178 516 HA THR 74 HA THR 74 12.394 0.074 -9.488 517 HB THR 74 HB THR 74 10.000 -1.456 -10.526 518 HG1 THR 74 1HG THR 74 11.719 -2.821 -9.823 519 HG21 THR 74 3HG2 THR 74 10.391 0.326 -12.017 520 HG22 THR 74 1HG2 THR 74 11.222 -1.054 -12.732 521 HG23 THR 74 2HG2 THR 74 12.142 0.177 -11.867 522 H LEU 75 H LEU 75 8.892 -0.211 -8.882 523 HA LEU 75 HA LEU 75 8.052 2.150 -10.032 524 HB2 LEU 75 1HB LEU 75 7.029 0.787 -7.547 525 HB3 LEU 75 2HB LEU 75 6.185 2.089 -8.384 526 HG LEU 75 HG LEU 75 6.784 -0.650 -9.502 527 HD11 LEU 75 1HD1 LEU 75 4.840 0.038 -7.714 528 HD12 LEU 75 2HD1 LEU 75 4.748 -1.304 -8.853 529 HD13 LEU 75 3HD1 LEU 75 4.014 0.248 -9.258 530 HD21 LEU 75 3HD2 LEU 75 5.418 1.757 -10.690 531 HD22 LEU 75 1HD2 LEU 75 5.259 0.124 -11.338 532 HD23 LEU 75 2HD2 LEU 75 6.839 0.906 -11.300 533 H ARG 76 H ARG 76 8.790 1.697 -6.567 534 HA ARG 76 HA ARG 76 8.527 4.159 -5.557 535 HB2 ARG 76 1HB ARG 76 10.963 2.424 -5.112 536 HB3 ARG 76 2HB ARG 76 10.413 3.712 -4.049 537 HG2 ARG 76 1HG ARG 76 8.452 2.501 -3.463 538 HG3 ARG 76 2HG ARG 76 8.762 1.288 -4.707 539 HD2 ARG 76 1HD ARG 76 9.573 0.171 -2.895 540 HD3 ARG 76 2HD ARG 76 11.034 1.034 -3.375 541 HE ARG 76 HE ARG 76 9.410 2.469 -1.487 542 HH11 ARG 76 1HH1 ARG 76 11.921 0.090 -1.880 543 HH12 ARG 76 2HH1 ARG 76 12.585 0.340 -0.299 544 HH21 ARG 76 1HH2 ARG 76 10.275 2.807 0.597 545 HH22 ARG 76 2HH2 ARG 76 11.648 1.885 1.109 546 H ARG 77 H ARG 77 11.455 3.110 -7.297 547 HA ARG 77 HA ARG 77 12.782 5.575 -7.224 548 HB2 ARG 77 1HB ARG 77 12.969 3.403 -9.320 549 HB3 ARG 77 2HB ARG 77 14.135 4.697 -9.080 550 HG2 ARG 77 1HG ARG 77 14.985 3.768 -7.166 551 HG3 ARG 77 2HG ARG 77 13.494 2.900 -6.797 552 HD2 ARG 77 1HD ARG 77 15.094 1.277 -7.466 553 HD3 ARG 77 2HD ARG 77 13.955 1.458 -8.799 554 HE ARG 77 HE ARG 77 15.921 3.173 -9.468 555 HH11 ARG 77 1HH1 ARG 77 15.932 -0.169 -8.491 556 HH12 ARG 77 2HH1 ARG 77 17.346 -0.568 -9.410 557 HH21 ARG 77 1HH2 ARG 77 17.783 2.659 -10.682 558 HH22 ARG 77 2HH2 ARG 77 18.398 1.041 -10.655 559 H LYS 78 H LYS 78 10.735 4.160 -9.768 560 HA LYS 78 HA LYS 78 10.866 6.045 -11.718 561 HB2 LYS 78 1HB LYS 78 8.360 4.676 -10.723 562 HB3 LYS 78 2HB LYS 78 8.517 5.486 -12.277 563 HG2 LYS 78 1HG LYS 78 10.523 3.838 -12.595 564 HG3 LYS 78 2HG LYS 78 9.681 2.905 -11.356 565 HD2 LYS 78 1HD LYS 78 8.760 2.046 -13.289 566 HD3 LYS 78 2HD LYS 78 7.596 3.307 -12.875 567 HE2 LYS 78 1HE LYS 78 9.892 4.032 -14.619 568 HE3 LYS 78 2HE LYS 78 8.593 3.065 -15.317 569 HZ1 LYS 78 3HZ LYS 78 7.182 4.952 -14.100 570 HZ2 LYS 78 1HZ LYS 78 7.718 5.089 -15.699 571 HZ3 LYS 78 2HZ LYS 78 8.579 5.839 -14.451 572 H TYR 79 H TYR 79 8.438 6.144 -9.103 573 HA TYR 79 HA TYR 79 7.444 8.682 -9.664 574 HB2 TYR 79 1HB TYR 79 6.416 7.017 -8.106 575 HB3 TYR 79 2HB TYR 79 7.655 7.422 -6.923 576 HD1 TYR 79 1HD TYR 79 4.716 8.707 -8.746 577 HD2 TYR 79 2HD TYR 79 7.512 9.417 -5.619 578 HE1 TYR 79 1HE TYR 79 3.314 10.550 -7.919 579 HE2 TYR 79 2HE TYR 79 6.117 11.261 -4.782 580 HH TYR 79 HH TYR 79 4.409 12.724 -5.445 581 H ASP 80 H ASP 80 10.370 7.720 -8.083 582 HA ASP 80 HA ASP 80 10.949 9.999 -6.583 583 HB2 ASP 80 1HB ASP 80 12.201 7.728 -6.746 584 HB3 ASP 80 2HB ASP 80 13.088 8.494 -8.061 585 H ARG 81 H ARG 81 11.707 9.261 -9.973 586 HA ARG 81 HA ARG 81 12.633 12.014 -10.350 587 HB2 ARG 81 1HB ARG 81 12.696 9.963 -12.524 588 HB3 ARG 81 2HB ARG 81 13.803 11.293 -12.211 589 HG2 ARG 81 1HG ARG 81 13.604 8.744 -10.620 590 HG3 ARG 81 2HG ARG 81 14.863 9.151 -11.788 591 HD2 ARG 81 1HD ARG 81 14.371 11.062 -9.572 592 HD3 ARG 81 2HD ARG 81 15.161 9.537 -9.172 593 HE ARG 81 HE ARG 81 17.027 10.211 -10.357 594 HH11 ARG 81 1HH1 ARG 81 14.407 12.452 -10.840 595 HH12 ARG 81 2HH1 ARG 81 15.404 13.660 -11.581 596 HH21 ARG 81 1HH2 ARG 81 18.350 11.794 -11.331 597 HH22 ARG 81 2HH2 ARG 81 17.647 13.284 -11.861 598 H GLY 82 H GLY 82 9.764 11.022 -10.092 599 HA2 GLY 82 1HA GLY 82 7.727 11.589 -10.985 600 HA3 GLY 82 2HA GLY 82 8.584 12.832 -11.883 601 H LEU 83 H LEU 83 9.031 9.333 -12.106 602 HA LEU 83 HA LEU 83 8.491 9.509 -14.972 603 HB2 LEU 83 1HB LEU 83 9.546 7.157 -13.418 604 HB3 LEU 83 2HB LEU 83 9.576 7.385 -15.165 605 HG LEU 83 HG LEU 83 11.031 9.335 -13.442 606 HD11 LEU 83 1HD1 LEU 83 11.594 6.480 -13.575 607 HD12 LEU 83 2HD1 LEU 83 12.236 7.715 -12.493 608 HD13 LEU 83 3HD1 LEU 83 12.951 7.484 -14.088 609 HD21 LEU 83 3HD2 LEU 83 11.305 8.212 -16.213 610 HD22 LEU 83 1HD2 LEU 83 12.604 9.119 -15.439 611 HD23 LEU 83 2HD2 LEU 83 11.041 9.885 -15.720 612 H LEU 84 H LEU 84 7.103 8.329 -12.054 613 HA LEU 84 HA LEU 84 5.489 6.258 -13.024 614 HB2 LEU 84 1HB LEU 84 5.952 7.056 -10.605 615 HB3 LEU 84 2HB LEU 84 4.579 8.129 -10.870 616 HG LEU 84 HG LEU 84 3.295 5.975 -11.477 617 HD11 LEU 84 1HD1 LEU 84 5.343 4.672 -9.725 618 HD12 LEU 84 2HD1 LEU 84 5.517 4.672 -11.480 619 HD13 LEU 84 3HD1 LEU 84 4.102 3.928 -10.734 620 HD21 LEU 84 3HD2 LEU 84 2.979 5.496 -8.990 621 HD22 LEU 84 1HD2 LEU 84 2.659 7.139 -9.545 622 HD23 LEU 84 2HD2 LEU 84 4.170 6.767 -8.716 623 H SER 85 H SER 85 3.819 6.253 -14.367 624 HA SER 85 HA SER 85 2.677 8.776 -15.242 625 HB2 SER 85 1HB SER 85 2.429 5.931 -16.211 626 HB3 SER 85 2HB SER 85 1.410 7.223 -16.844 627 HG SER 85 HG SER 85 3.554 8.324 -17.187 628 H ASP 86 H ASP 86 0.473 9.286 -15.176 629 HA ASP 86 HA ASP 86 -0.889 8.858 -12.839 630 HB2 ASP 86 1HB ASP 86 -2.148 9.349 -15.547 631 HB3 ASP 86 2HB ASP 86 -2.895 9.666 -13.984 632 H GLU 87 H GLU 87 -1.117 6.986 -15.832 633 HA GLU 87 HA GLU 87 -3.248 5.329 -15.137 634 HB2 GLU 87 1HB GLU 87 -0.838 4.760 -16.867 635 HB3 GLU 87 2HB GLU 87 -2.244 3.710 -16.765 636 HG2 GLU 87 1HG GLU 87 -2.736 4.914 -18.640 637 HG3 GLU 87 2HG GLU 87 -3.548 5.877 -17.407 638 H ASP 88 H ASP 88 0.150 5.162 -14.290 639 HA ASP 88 HA ASP 88 0.126 2.533 -13.236 640 HB2 ASP 88 1HB ASP 88 1.950 4.807 -12.432 641 HB3 ASP 88 2HB ASP 88 2.265 3.083 -12.260 642 H LEU 89 H LEU 89 -0.543 5.698 -11.854 643 HA LEU 89 HA LEU 89 -0.552 5.042 -9.150 644 HB2 LEU 89 1HB LEU 89 -2.159 7.043 -10.716 645 HB3 LEU 89 2HB LEU 89 -2.239 6.922 -8.959 646 HG LEU 89 HG LEU 89 0.392 7.354 -10.322 647 HD11 LEU 89 1HD1 LEU 89 -1.812 9.110 -10.549 648 HD12 LEU 89 2HD1 LEU 89 -0.136 9.388 -11.022 649 HD13 LEU 89 3HD1 LEU 89 -0.679 9.825 -9.402 650 HD21 LEU 89 3HD2 LEU 89 -0.522 8.498 -7.715 651 HD22 LEU 89 1HD2 LEU 89 1.109 8.095 -8.255 652 HD23 LEU 89 2HD2 LEU 89 -0.017 6.810 -7.815 653 H ARG 90 H ARG 90 -3.452 5.360 -11.207 654 HA ARG 90 HA ARG 90 -5.241 4.194 -9.425 655 HB2 ARG 90 1HB ARG 90 -6.736 3.925 -11.313 656 HB3 ARG 90 2HB ARG 90 -5.898 5.465 -11.441 657 HG2 ARG 90 1HG ARG 90 -5.685 4.762 -13.584 658 HG3 ARG 90 2HG ARG 90 -4.236 4.016 -12.907 659 HD2 ARG 90 1HD ARG 90 -5.338 2.362 -14.216 660 HD3 ARG 90 2HD ARG 90 -5.592 1.946 -12.522 661 HE ARG 90 HE ARG 90 -7.838 2.256 -12.823 662 HH11 ARG 90 1HH1 ARG 90 -6.123 3.740 -15.464 663 HH12 ARG 90 2HH1 ARG 90 -7.558 4.094 -16.368 664 HH21 ARG 90 1HH2 ARG 90 -9.734 2.717 -14.004 665 HH22 ARG 90 2HH2 ARG 90 -9.611 3.512 -15.536 666 H GLY 91 H GLY 91 -3.207 2.705 -11.902 667 HA2 GLY 91 1HA GLY 91 -2.464 0.529 -12.078 668 HA3 GLY 91 2HA GLY 91 -3.229 0.195 -10.531 669 HA PRO 92 HA PRO 92 -6.433 -0.500 -14.138 670 HB2 PRO 92 1HB PRO 92 -5.273 -1.189 -16.493 671 HB3 PRO 92 2HB PRO 92 -5.678 0.479 -16.074 672 HG2 PRO 92 1HG PRO 92 -3.040 -0.926 -15.913 673 HG3 PRO 92 2HG PRO 92 -3.403 0.709 -16.495 674 HD2 PRO 92 1HD PRO 92 -2.401 0.230 -14.025 675 HD3 PRO 92 2HD PRO 92 -3.502 1.581 -14.364 676 H GLY 93 H GLY 93 -7.184 -2.417 -13.476 677 HA2 GLY 93 1HA GLY 93 -5.416 -4.746 -13.469 678 HA3 GLY 93 2HA GLY 93 -6.991 -4.636 -12.698 679 H SER 94 H SER 94 -5.467 -4.687 -15.909 680 HA SER 94 HA SER 94 -7.719 -5.214 -17.434 681 HB2 SER 94 1HB SER 94 -5.567 -4.686 -18.450 682 HB3 SER 94 2HB SER 94 -4.887 -6.200 -17.856 683 HG SER 94 HG SER 94 -6.951 -6.975 -19.150 684 H GLY 95 H GLY 95 -8.957 -6.959 -17.839 685 HA2 GLY 95 1HA GLY 95 -8.518 -9.315 -16.180 686 HA3 GLY 95 2HA GLY 95 -9.974 -8.937 -17.089 687 HA PRO 96 HA PRO 96 -6.896 -11.868 -19.368 688 HB2 PRO 96 1HB PRO 96 -7.648 -14.295 -18.411 689 HB3 PRO 96 2HB PRO 96 -6.338 -13.345 -17.699 690 HG2 PRO 96 1HG PRO 96 -9.183 -13.615 -16.808 691 HG3 PRO 96 2HG PRO 96 -7.701 -13.619 -15.834 692 HD2 PRO 96 1HD PRO 96 -9.286 -11.436 -16.067 693 HD3 PRO 96 2HD PRO 96 -7.526 -11.321 -15.864 694 H SER 97 H SER 97 -10.102 -11.222 -18.988 695 HA SER 97 HA SER 97 -11.951 -11.523 -20.278 696 HB2 SER 97 1HB SER 97 -10.002 -12.684 -22.285 697 HB3 SER 97 2HB SER 97 -11.642 -12.134 -22.629 698 HG SER 97 HG SER 97 -9.379 -10.704 -22.520 699 H SER 98 H SER 98 -11.845 -13.323 -18.378 700 HA SER 98 HA SER 98 -12.399 -15.911 -19.675 701 HB2 SER 98 1HB SER 98 -11.819 -16.992 -17.568 702 HB3 SER 98 2HB SER 98 -10.489 -15.959 -18.092 703 HG SER 98 HG SER 98 -11.294 -14.364 -16.632 704 H GLY 99 H GLY 99 -14.042 -17.254 -18.504 705 HA2 GLY 99 1HA GLY 99 -15.854 -16.700 -16.663 706 HA3 GLY 99 2HA GLY 99 -16.351 -15.565 -17.909 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 12.553 -4.648 13.111 2 HA2 GLY 1 1HA GLY 1 10.338 -4.788 11.514 3 HA3 GLY 1 2HA GLY 1 11.584 -5.607 10.584 4 H SER 2 H SER 2 10.136 -5.571 13.833 5 HA SER 2 HA SER 2 10.267 -8.508 13.816 6 HB2 SER 2 1HB SER 2 10.876 -6.785 16.229 7 HB3 SER 2 2HB SER 2 10.937 -8.545 16.150 8 HG SER 2 HG SER 2 12.612 -6.689 14.815 9 H SER 3 H SER 3 8.832 -9.452 15.565 10 HA SER 3 HA SER 3 6.194 -8.705 15.153 11 HB2 SER 3 1HB SER 3 5.647 -10.183 17.055 12 HB3 SER 3 2HB SER 3 6.827 -10.923 15.974 13 HG SER 3 HG SER 3 8.452 -10.348 17.440 14 H GLY 4 H GLY 4 4.676 -7.556 16.334 15 HA2 GLY 4 1HA GLY 4 3.904 -5.844 17.654 16 HA3 GLY 4 2HA GLY 4 5.049 -6.417 18.859 17 H SER 5 H SER 5 4.796 -4.411 15.945 18 HA SER 5 HA SER 5 7.190 -3.186 15.799 19 HB2 SER 5 1HB SER 5 6.041 -1.159 15.005 20 HB3 SER 5 2HB SER 5 5.297 -2.613 14.341 21 HG SER 5 HG SER 5 3.691 -1.232 15.090 22 H SER 6 H SER 6 8.488 -2.121 17.128 23 HA SER 6 HA SER 6 7.310 -0.818 19.496 24 HB2 SER 6 1HB SER 6 8.583 -2.701 20.251 25 HB3 SER 6 2HB SER 6 9.937 -2.285 19.200 26 HG SER 6 HG SER 6 9.055 -0.991 21.549 27 H GLY 7 H GLY 7 7.468 1.318 19.458 28 HA2 GLY 7 1HA GLY 7 8.480 3.400 19.307 29 HA3 GLY 7 2HA GLY 7 9.938 2.614 18.718 30 H SER 8 H SER 8 6.575 2.922 17.564 31 HA SER 8 HA SER 8 7.477 3.142 14.836 32 HB2 SER 8 1HB SER 8 5.429 1.962 15.158 33 HB3 SER 8 2HB SER 8 4.748 3.269 16.126 34 HG SER 8 HG SER 8 3.884 3.509 14.125 35 H GLN 9 H GLN 9 8.217 4.968 14.002 36 HA GLN 9 HA GLN 9 8.450 7.417 15.027 37 HB2 GLN 9 1HB GLN 9 9.240 6.715 12.768 38 HB3 GLN 9 2HB GLN 9 7.610 6.967 12.159 39 HG2 GLN 9 1HG GLN 9 8.990 8.862 11.621 40 HG3 GLN 9 2HG GLN 9 7.756 9.333 12.788 41 HE21 GLN 9 1HE2 GLN 9 11.104 9.035 12.147 42 HE22 GLN 9 2HE2 GLN 9 11.679 9.674 13.645 43 H GLY 10 H GLY 10 7.160 8.923 15.848 44 HA2 GLY 10 1HA GLY 10 4.329 8.932 15.000 45 HA3 GLY 10 2HA GLY 10 4.870 9.347 16.620 46 H ASP 11 H ASP 11 5.573 10.351 13.269 47 HA ASP 11 HA ASP 11 5.168 13.134 14.117 48 HB2 ASP 11 1HB ASP 11 7.589 12.711 14.058 49 HB3 ASP 11 2HB ASP 11 7.453 12.150 12.394 50 H CYS 12 H CYS 12 3.415 13.742 13.025 51 HA CYS 12 HA CYS 12 2.390 12.634 10.712 52 HB2 CYS 12 1HB CYS 12 1.314 14.316 12.332 53 HB3 CYS 12 2HB CYS 12 2.085 15.560 11.357 54 HG CYS 12 HG CYS 12 -0.332 15.675 10.280 55 H SER 13 H SER 13 4.035 12.270 9.206 56 HA SER 13 HA SER 13 5.729 14.315 8.211 57 HB2 SER 13 1HB SER 13 4.950 11.632 7.049 58 HB3 SER 13 2HB SER 13 6.194 12.679 6.367 59 HG SER 13 HG SER 13 6.323 11.002 8.500 60 H TYR 14 H TYR 14 5.745 14.727 5.729 61 HA TYR 14 HA TYR 14 3.274 16.069 5.122 62 HB2 TYR 14 1HB TYR 14 4.642 16.548 2.924 63 HB3 TYR 14 2HB TYR 14 5.062 17.353 4.432 64 HD1 TYR 14 2HD TYR 14 5.906 14.277 2.487 65 HD2 TYR 14 1HD TYR 14 7.270 17.324 5.124 66 HE1 TYR 14 2HE TYR 14 8.196 13.397 2.310 67 HE2 TYR 14 1HE TYR 14 9.564 16.453 4.954 68 HH TYR 14 HH TYR 14 10.329 13.489 3.871 69 H SER 15 H SER 15 2.781 15.941 2.553 70 HA SER 15 HA SER 15 1.605 13.365 2.201 71 HB2 SER 15 1HB SER 15 1.824 15.651 0.227 72 HB3 SER 15 2HB SER 15 0.735 14.270 0.099 73 HG SER 15 HG SER 15 0.635 15.789 2.436 74 H ARG 16 H ARG 16 4.271 15.101 0.640 75 HA ARG 16 HA ARG 16 4.973 13.625 -1.464 76 HB2 ARG 16 1HB ARG 16 6.603 14.878 0.684 77 HB3 ARG 16 2HB ARG 16 7.433 13.808 -0.437 78 HG2 ARG 16 1HG ARG 16 5.661 15.907 -1.563 79 HG3 ARG 16 2HG ARG 16 7.215 16.395 -0.885 80 HD2 ARG 16 1HD ARG 16 8.211 14.525 -2.330 81 HD3 ARG 16 2HD ARG 16 6.664 14.536 -3.176 82 HE ARG 16 HE ARG 16 7.371 16.399 -4.269 83 HH11 ARG 16 1HH1 ARG 16 9.098 16.181 -1.254 84 HH12 ARG 16 2HH1 ARG 16 10.080 17.573 -1.565 85 HH21 ARG 16 1HH2 ARG 16 8.659 18.234 -4.691 86 HH22 ARG 16 2HH2 ARG 16 9.829 18.741 -3.520 87 H THR 17 H THR 17 5.224 12.564 1.871 88 HA THR 17 HA THR 17 5.904 9.868 0.894 89 HB THR 17 HB THR 17 7.841 10.857 2.049 90 HG1 THR 17 1HG THR 17 6.469 8.633 3.063 91 HG21 THR 17 3HG2 THR 17 6.246 12.218 3.606 92 HG22 THR 17 1HG2 THR 17 7.804 11.663 4.218 93 HG23 THR 17 2HG2 THR 17 6.331 10.785 4.629 94 H ALA 18 H ALA 18 3.300 10.495 1.083 95 HA ALA 18 HA ALA 18 2.225 9.904 3.685 96 HB1 ALA 18 3HB ALA 18 0.855 10.082 1.004 97 HB2 ALA 18 1HB ALA 18 0.048 9.984 2.570 98 HB3 ALA 18 2HB ALA 18 1.033 11.392 2.171 99 H LEU 19 H LEU 19 2.315 8.204 0.556 100 HA LEU 19 HA LEU 19 0.983 5.907 1.133 101 HB2 LEU 19 1HB LEU 19 3.627 5.831 -0.287 102 HB3 LEU 19 2HB LEU 19 2.203 4.831 -0.569 103 HG LEU 19 HG LEU 19 2.698 7.673 -1.400 104 HD11 LEU 19 1HD1 LEU 19 3.425 6.174 -3.038 105 HD12 LEU 19 2HD1 LEU 19 1.811 6.647 -3.567 106 HD13 LEU 19 3HD1 LEU 19 2.060 5.087 -2.781 107 HD21 LEU 19 3HD2 LEU 19 0.039 6.249 -1.427 108 HD22 LEU 19 1HD2 LEU 19 0.382 7.860 -2.060 109 HD23 LEU 19 2HD2 LEU 19 0.479 7.555 -0.325 110 H TYR 20 H TYR 20 3.953 6.963 2.513 111 HA TYR 20 HA TYR 20 4.649 4.334 3.537 112 HB2 TYR 20 1HB TYR 20 5.943 7.007 4.107 113 HB3 TYR 20 2HB TYR 20 6.607 5.420 4.479 114 HD1 TYR 20 2HD TYR 20 5.530 7.558 1.628 115 HD2 TYR 20 1HD TYR 20 7.977 4.332 2.934 116 HE1 TYR 20 2HE TYR 20 6.632 7.512 -0.570 117 HE2 TYR 20 1HE TYR 20 9.087 4.278 0.740 118 HH TYR 20 HH TYR 20 8.195 6.569 -1.827 119 H ASP 21 H ASP 21 3.224 7.335 4.644 120 HA ASP 21 HA ASP 21 3.323 6.739 7.424 121 HB2 ASP 21 1HB ASP 21 3.072 9.024 6.841 122 HB3 ASP 21 2HB ASP 21 1.702 8.684 5.787 123 H LEU 22 H LEU 22 1.233 5.806 4.841 124 HA LEU 22 HA LEU 22 -1.044 5.136 6.414 125 HB2 LEU 22 1HB LEU 22 -0.128 4.449 3.646 126 HB3 LEU 22 2HB LEU 22 -1.551 3.677 4.343 127 HG LEU 22 HG LEU 22 -2.254 6.204 4.755 128 HD11 LEU 22 1HD1 LEU 22 -1.497 7.210 2.368 129 HD12 LEU 22 2HD1 LEU 22 -0.041 6.326 2.823 130 HD13 LEU 22 3HD1 LEU 22 -0.687 7.568 3.894 131 HD21 LEU 22 3HD2 LEU 22 -3.599 6.066 2.785 132 HD22 LEU 22 1HD2 LEU 22 -3.435 4.438 3.444 133 HD23 LEU 22 2HD2 LEU 22 -2.484 4.921 2.038 134 H LEU 23 H LEU 23 1.851 3.428 5.418 135 HA LEU 23 HA LEU 23 0.879 0.931 6.572 136 HB2 LEU 23 1HB LEU 23 3.147 1.724 4.826 137 HB3 LEU 23 2HB LEU 23 3.351 0.298 5.841 138 HG LEU 23 HG LEU 23 1.321 -0.675 4.788 139 HD11 LEU 23 1HD1 LEU 23 0.837 0.488 2.487 140 HD12 LEU 23 2HD1 LEU 23 1.398 1.925 3.341 141 HD13 LEU 23 3HD1 LEU 23 0.019 1.016 3.958 142 HD21 LEU 23 3HD2 LEU 23 3.610 -1.193 4.008 143 HD22 LEU 23 1HD2 LEU 23 3.470 0.105 2.822 144 HD23 LEU 23 2HD2 LEU 23 2.403 -1.296 2.725 145 H GLY 24 H GLY 24 3.619 3.174 6.968 146 HA2 GLY 24 1HA GLY 24 4.184 3.860 9.249 147 HA3 GLY 24 2HA GLY 24 3.848 2.210 9.751 148 H VAL 25 H VAL 25 5.588 2.908 6.811 149 HA VAL 25 HA VAL 25 8.053 1.930 8.101 150 HB VAL 25 HB VAL 25 8.697 0.875 6.035 151 HG11 VAL 25 1HG1 VAL 25 5.864 0.225 6.831 152 HG12 VAL 25 2HG1 VAL 25 6.865 -0.797 5.797 153 HG13 VAL 25 3HG1 VAL 25 7.344 -0.490 7.467 154 HG21 VAL 25 3HG2 VAL 25 7.977 2.111 4.253 155 HG22 VAL 25 1HG2 VAL 25 6.768 0.827 4.228 156 HG23 VAL 25 2HG2 VAL 25 6.381 2.390 4.949 157 HA PRO 26 HA PRO 26 10.097 5.607 6.832 158 HB2 PRO 26 1HB PRO 26 12.627 4.678 6.506 159 HB3 PRO 26 2HB PRO 26 11.880 4.894 8.093 160 HG2 PRO 26 1HG PRO 26 12.197 2.397 6.472 161 HG3 PRO 26 2HG PRO 26 12.441 2.640 8.211 162 HD2 PRO 26 1HD PRO 26 10.191 1.526 7.197 163 HD3 PRO 26 2HD PRO 26 10.186 2.512 8.673 164 H SER 27 H SER 27 11.212 6.622 5.059 165 HA SER 27 HA SER 27 10.328 5.733 2.524 166 HB2 SER 27 1HB SER 27 10.609 8.097 2.928 167 HB3 SER 27 2HB SER 27 12.319 7.877 3.298 168 HG SER 27 HG SER 27 11.286 7.091 0.800 169 H THR 28 H THR 28 12.930 4.765 4.394 170 HA THR 28 HA THR 28 14.389 3.787 2.026 171 HB THR 28 HB THR 28 16.413 3.709 3.372 172 HG1 THR 28 1HG THR 28 14.763 4.745 5.456 173 HG21 THR 28 3HG2 THR 28 14.891 6.262 3.159 174 HG22 THR 28 1HG2 THR 28 16.378 5.766 2.352 175 HG23 THR 28 2HG2 THR 28 16.417 6.265 4.044 176 H ALA 29 H ALA 29 12.096 2.627 3.641 177 HA ALA 29 HA ALA 29 13.084 0.403 5.094 178 HB1 ALA 29 3HB ALA 29 10.496 -0.152 4.029 179 HB2 ALA 29 1HB ALA 29 10.952 0.259 5.683 180 HB3 ALA 29 2HB ALA 29 10.563 1.538 4.531 181 H THR 30 H THR 30 12.195 -1.883 4.349 182 HA THR 30 HA THR 30 13.100 -2.304 1.574 183 HB THR 30 HB THR 30 14.829 -3.265 2.794 184 HG1 THR 30 1HG THR 30 12.984 -5.428 2.619 185 HG21 THR 30 3HG2 THR 30 14.559 -4.555 4.837 186 HG22 THR 30 1HG2 THR 30 12.806 -4.415 4.720 187 HG23 THR 30 2HG2 THR 30 13.787 -2.979 5.012 188 H GLN 31 H GLN 31 12.389 -4.563 0.780 189 HA GLN 31 HA GLN 31 9.680 -4.641 0.428 190 HB2 GLN 31 1HB GLN 31 11.788 -6.764 0.285 191 HB3 GLN 31 2HB GLN 31 10.099 -7.200 0.059 192 HG2 GLN 31 1HG GLN 31 11.372 -6.760 -2.040 193 HG3 GLN 31 2HG GLN 31 9.901 -5.808 -1.845 194 HE21 GLN 31 1HE2 GLN 31 10.102 -3.598 -1.234 195 HE22 GLN 31 2HE2 GLN 31 11.544 -2.717 -1.594 196 H ALA 32 H ALA 32 11.502 -6.629 2.760 197 HA ALA 32 HA ALA 32 9.459 -7.997 3.954 198 HB1 ALA 32 3HB ALA 32 11.858 -6.794 5.330 199 HB2 ALA 32 1HB ALA 32 10.842 -8.083 5.977 200 HB3 ALA 32 2HB ALA 32 11.795 -8.359 4.519 201 H GLN 33 H GLN 33 10.584 -4.731 4.803 202 HA GLN 33 HA GLN 33 8.693 -4.329 6.872 203 HB2 GLN 33 1HB GLN 33 10.196 -2.304 5.205 204 HB3 GLN 33 2HB GLN 33 9.318 -1.945 6.686 205 HG2 GLN 33 1HG GLN 33 10.858 -3.701 7.767 206 HG3 GLN 33 2HG GLN 33 11.854 -3.488 6.329 207 HE21 GLN 33 1HE2 GLN 33 10.004 -1.264 8.384 208 HE22 GLN 33 2HE2 GLN 33 11.322 -0.197 8.711 209 H ILE 34 H ILE 34 8.831 -2.780 3.659 210 HA ILE 34 HA ILE 34 6.420 -1.537 3.602 211 HB ILE 34 HB ILE 34 7.770 -3.023 1.351 212 HG12 ILE 34 1HG1 ILE 34 7.632 -0.076 2.024 213 HG13 ILE 34 2HG1 ILE 34 9.008 -1.125 2.349 214 HG21 ILE 34 1HG2 ILE 34 5.678 -2.876 0.450 215 HG22 ILE 34 2HG2 ILE 34 5.241 -1.465 1.413 216 HG23 ILE 34 3HG2 ILE 34 6.299 -1.285 0.014 217 HD11 ILE 34 3HD1 ILE 34 9.672 -0.141 0.405 218 HD12 ILE 34 1HD1 ILE 34 8.863 -1.573 -0.229 219 HD13 ILE 34 2HD1 ILE 34 8.030 -0.018 -0.226 220 H LYS 35 H LYS 35 6.977 -4.943 3.586 221 HA LYS 35 HA LYS 35 4.266 -5.567 2.733 222 HB2 LYS 35 1HB LYS 35 6.162 -6.967 1.978 223 HB3 LYS 35 2HB LYS 35 6.486 -7.405 3.650 224 HG2 LYS 35 1HG LYS 35 4.195 -8.385 3.760 225 HG3 LYS 35 2HG LYS 35 4.048 -8.090 2.026 226 HD2 LYS 35 1HD LYS 35 6.206 -9.431 1.788 227 HD3 LYS 35 2HD LYS 35 5.939 -9.938 3.458 228 HE2 LYS 35 1HE LYS 35 3.897 -11.001 2.901 229 HE3 LYS 35 2HE LYS 35 3.857 -10.247 1.308 230 HZ1 LYS 35 3HZ LYS 35 5.219 -12.630 2.175 231 HZ2 LYS 35 1HZ LYS 35 6.200 -11.586 1.274 232 HZ3 LYS 35 2HZ LYS 35 4.748 -12.158 0.620 233 H ALA 36 H ALA 36 6.247 -6.605 5.514 234 HA ALA 36 HA ALA 36 4.368 -7.602 7.169 235 HB1 ALA 36 3HB ALA 36 5.892 -6.080 8.917 236 HB2 ALA 36 1HB ALA 36 6.230 -7.726 8.379 237 HB3 ALA 36 2HB ALA 36 6.952 -6.355 7.535 238 H ALA 37 H ALA 37 5.056 -4.154 6.724 239 HA ALA 37 HA ALA 37 3.295 -3.166 8.671 240 HB1 ALA 37 3HB ALA 37 3.364 -1.056 7.324 241 HB2 ALA 37 1HB ALA 37 4.945 -1.714 7.751 242 HB3 ALA 37 2HB ALA 37 4.310 -1.930 6.119 243 H TYR 38 H TYR 38 2.805 -3.662 5.179 244 HA TYR 38 HA TYR 38 0.216 -2.736 4.952 245 HB2 TYR 38 1HB TYR 38 1.337 -3.306 2.954 246 HB3 TYR 38 2HB TYR 38 1.679 -4.940 3.513 247 HD1 TYR 38 1HD TYR 38 -0.851 -2.723 2.065 248 HD2 TYR 38 2HD TYR 38 -0.016 -6.676 3.400 249 HE1 TYR 38 1HE TYR 38 -2.871 -3.530 0.918 250 HE2 TYR 38 2HE TYR 38 -2.033 -7.494 2.255 251 HH TYR 38 HH TYR 38 -4.384 -6.208 1.527 252 H TYR 39 H TYR 39 1.370 -5.777 6.244 253 HA TYR 39 HA TYR 39 -1.108 -7.135 6.293 254 HB2 TYR 39 1HB TYR 39 1.545 -7.490 7.592 255 HB3 TYR 39 2HB TYR 39 0.175 -8.335 8.304 256 HD1 TYR 39 1HD TYR 39 -1.401 -9.121 5.986 257 HD2 TYR 39 2HD TYR 39 2.822 -9.089 6.501 258 HE1 TYR 39 1HE TYR 39 -1.188 -10.896 4.298 259 HE2 TYR 39 2HE TYR 39 3.047 -10.863 4.812 260 HH TYR 39 HH TYR 39 1.972 -12.298 3.495 261 H ARG 40 H ARG 40 0.685 -5.626 8.986 262 HA ARG 40 HA ARG 40 -0.982 -5.830 11.054 263 HB2 ARG 40 1HB ARG 40 0.707 -3.570 10.112 264 HB3 ARG 40 2HB ARG 40 -0.416 -3.245 11.427 265 HG2 ARG 40 1HG ARG 40 1.808 -3.841 12.243 266 HG3 ARG 40 2HG ARG 40 0.586 -5.007 12.755 267 HD2 ARG 40 1HD ARG 40 1.318 -6.615 11.205 268 HD3 ARG 40 2HD ARG 40 2.249 -5.429 10.291 269 HE ARG 40 HE ARG 40 3.155 -6.939 12.504 270 HH11 ARG 40 1HH1 ARG 40 3.368 -3.770 11.080 271 HH12 ARG 40 2HH1 ARG 40 4.933 -3.434 11.744 272 HH21 ARG 40 1HH2 ARG 40 5.215 -6.509 13.384 273 HH22 ARG 40 2HH2 ARG 40 5.983 -4.994 13.054 274 H GLN 41 H GLN 41 -1.416 -3.435 8.463 275 HA GLN 41 HA GLN 41 -3.695 -2.180 9.431 276 HB2 GLN 41 1HB GLN 41 -3.144 -2.747 6.517 277 HB3 GLN 41 2HB GLN 41 -4.085 -1.420 7.186 278 HG2 GLN 41 1HG GLN 41 -1.138 -1.784 7.060 279 HG3 GLN 41 2HG GLN 41 -2.118 -0.367 6.688 280 HE21 GLN 41 1HE2 GLN 41 0.132 -1.418 8.717 281 HE22 GLN 41 2HE2 GLN 41 -0.278 -0.538 10.146 282 H CYS 42 H CYS 42 -3.453 -5.022 7.309 283 HA CYS 42 HA CYS 42 -6.087 -5.499 6.761 284 HB2 CYS 42 1HB CYS 42 -3.865 -7.451 7.363 285 HB3 CYS 42 2HB CYS 42 -5.451 -7.963 6.799 286 HG CYS 42 HG CYS 42 -5.289 -6.777 4.333 287 H PHE 43 H PHE 43 -4.333 -6.846 9.562 288 HA PHE 43 HA PHE 43 -6.641 -7.911 10.796 289 HB2 PHE 43 1HB PHE 43 -4.397 -8.730 11.323 290 HB3 PHE 43 2HB PHE 43 -3.970 -7.164 12.006 291 HD1 PHE 43 1HD PHE 43 -5.125 -6.383 14.080 292 HD2 PHE 43 2HD PHE 43 -5.525 -10.352 12.595 293 HE1 PHE 43 1HE PHE 43 -5.934 -7.122 16.283 294 HE2 PHE 43 2HE PHE 43 -6.336 -11.097 14.795 295 HZ PHE 43 HZ PHE 43 -6.542 -9.482 16.643 296 H LEU 44 H LEU 44 -4.737 -4.992 11.539 297 HA LEU 44 HA LEU 44 -6.173 -3.993 13.645 298 HB2 LEU 44 1HB LEU 44 -4.768 -2.621 11.380 299 HB3 LEU 44 2HB LEU 44 -5.558 -1.699 12.657 300 HG LEU 44 HG LEU 44 -3.570 -3.776 13.432 301 HD11 LEU 44 1HD1 LEU 44 -1.802 -1.983 13.245 302 HD12 LEU 44 2HD1 LEU 44 -2.914 -1.122 12.182 303 HD13 LEU 44 3HD1 LEU 44 -2.321 -2.720 11.729 304 HD21 LEU 44 3HD2 LEU 44 -3.069 -1.867 15.083 305 HD22 LEU 44 1HD2 LEU 44 -4.583 -2.754 15.262 306 HD23 LEU 44 2HD2 LEU 44 -4.579 -1.164 14.501 307 H TYR 45 H TYR 45 -7.086 -4.106 10.293 308 HA TYR 45 HA TYR 45 -9.665 -2.879 11.003 309 HB2 TYR 45 1HB TYR 45 -8.025 -2.411 8.510 310 HB3 TYR 45 2HB TYR 45 -9.722 -1.968 8.647 311 HD1 TYR 45 2HD TYR 45 -6.346 -1.309 10.009 312 HD2 TYR 45 1HD TYR 45 -10.382 0.014 9.764 313 HE1 TYR 45 2HE TYR 45 -5.698 0.838 11.019 314 HE2 TYR 45 1HE TYR 45 -9.745 2.165 10.773 315 HH TYR 45 HH TYR 45 -8.111 3.315 11.779 316 H HIS 46 H HIS 46 -10.281 -5.134 11.321 317 HA HIS 46 HA HIS 46 -10.326 -6.916 9.070 318 HB2 HIS 46 1HB HIS 46 -11.242 -7.007 11.899 319 HB3 HIS 46 2HB HIS 46 -12.027 -8.098 10.761 320 HD2 HIS 46 2HD HIS 46 -9.079 -8.141 13.033 321 HE1 HIS 46 1HE HIS 46 -8.106 -10.855 9.920 322 HE2 HIS 46 2HE HIS 46 -7.563 -10.088 12.257 323 HA PRO 47 HA PRO 47 -14.095 -5.683 7.181 324 HB2 PRO 47 1HB PRO 47 -14.922 -8.054 6.150 325 HB3 PRO 47 2HB PRO 47 -13.564 -7.138 5.484 326 HG2 PRO 47 1HG PRO 47 -13.536 -9.491 7.335 327 HG3 PRO 47 2HG PRO 47 -12.509 -9.163 5.926 328 HD2 PRO 47 1HD PRO 47 -11.678 -8.733 8.467 329 HD3 PRO 47 2HD PRO 47 -11.136 -7.734 7.103 330 H ASP 48 H ASP 48 -14.066 -8.220 9.564 331 HA ASP 48 HA ASP 48 -16.927 -8.420 9.781 332 HB2 ASP 48 1HB ASP 48 -15.321 -10.279 10.340 333 HB3 ASP 48 2HB ASP 48 -14.852 -9.360 11.767 334 H ARG 49 H ARG 49 -14.390 -7.217 11.986 335 HA ARG 49 HA ARG 49 -15.909 -6.168 13.984 336 HB2 ARG 49 1HB ARG 49 -13.321 -5.325 12.758 337 HB3 ARG 49 2HB ARG 49 -14.069 -4.264 13.945 338 HG2 ARG 49 1HG ARG 49 -13.803 -7.133 14.642 339 HG3 ARG 49 2HG ARG 49 -12.339 -6.147 14.621 340 HD2 ARG 49 1HD ARG 49 -12.982 -5.801 16.779 341 HD3 ARG 49 2HD ARG 49 -13.877 -4.494 16.004 342 HE ARG 49 HE ARG 49 -14.971 -6.916 17.166 343 HH11 ARG 49 1HH1 ARG 49 -15.508 -4.115 15.170 344 HH12 ARG 49 2HH1 ARG 49 -17.231 -4.160 15.342 345 HH21 ARG 49 1HH2 ARG 49 -17.239 -6.987 17.401 346 HH22 ARG 49 2HH2 ARG 49 -18.215 -5.794 16.613 347 H ASN 50 H ASN 50 -14.973 -4.423 11.020 348 HA ASN 50 HA ASN 50 -16.879 -2.312 11.639 349 HB2 ASN 50 1HB ASN 50 -14.976 -2.596 9.302 350 HB3 ASN 50 2HB ASN 50 -15.926 -1.165 9.688 351 HD21 ASN 50 1HD2 ASN 50 -13.414 -3.304 10.923 352 HD22 ASN 50 2HD2 ASN 50 -12.615 -2.108 11.881 353 H SER 51 H SER 51 -18.928 -2.558 11.066 354 HA SER 51 HA SER 51 -19.654 -4.369 8.914 355 HB2 SER 51 1HB SER 51 -21.225 -2.857 10.994 356 HB3 SER 51 2HB SER 51 -22.023 -3.675 9.650 357 HG SER 51 HG SER 51 -20.557 -5.521 10.463 358 H GLY 52 H GLY 52 -18.904 -3.248 7.087 359 HA2 GLY 52 1HA GLY 52 -18.960 -1.698 5.384 360 HA3 GLY 52 2HA GLY 52 -20.693 -1.732 5.674 361 H SER 53 H SER 53 -17.767 -0.328 7.155 362 HA SER 53 HA SER 53 -19.327 2.073 7.790 363 HB2 SER 53 1HB SER 53 -17.824 0.744 9.488 364 HB3 SER 53 2HB SER 53 -16.512 1.646 8.730 365 HG SER 53 HG SER 53 -18.107 3.509 9.160 366 H ALA 54 H ALA 54 -18.565 4.152 7.258 367 HA ALA 54 HA ALA 54 -17.410 4.375 4.686 368 HB1 ALA 54 3HB ALA 54 -17.210 6.892 5.716 369 HB2 ALA 54 1HB ALA 54 -18.651 6.220 4.952 370 HB3 ALA 54 2HB ALA 54 -18.490 6.193 6.708 371 H GLU 55 H GLU 55 -16.163 5.385 7.875 372 HA GLU 55 HA GLU 55 -13.680 6.282 7.136 373 HB2 GLU 55 1HB GLU 55 -14.529 4.782 9.611 374 HB3 GLU 55 2HB GLU 55 -12.925 5.477 9.424 375 HG2 GLU 55 1HG GLU 55 -14.286 6.983 10.688 376 HG3 GLU 55 2HG GLU 55 -13.963 7.695 9.108 377 H ALA 56 H ALA 56 -14.381 2.960 8.238 378 HA ALA 56 HA ALA 56 -11.876 1.881 7.653 379 HB1 ALA 56 3HB ALA 56 -13.717 -0.183 7.258 380 HB2 ALA 56 1HB ALA 56 -12.861 0.218 8.746 381 HB3 ALA 56 2HB ALA 56 -14.461 0.894 8.440 382 H ALA 57 H ALA 57 -14.685 2.389 5.610 383 HA ALA 57 HA ALA 57 -13.933 0.794 3.430 384 HB1 ALA 57 3HB ALA 57 -15.556 3.336 3.452 385 HB2 ALA 57 1HB ALA 57 -15.466 2.191 2.114 386 HB3 ALA 57 2HB ALA 57 -16.175 1.697 3.653 387 H GLU 58 H GLU 58 -13.882 4.349 3.340 388 HA GLU 58 HA GLU 58 -12.181 4.653 1.213 389 HB2 GLU 58 1HB GLU 58 -11.687 6.894 2.068 390 HB3 GLU 58 2HB GLU 58 -13.396 6.515 2.227 391 HG2 GLU 58 1HG GLU 58 -13.030 5.971 4.598 392 HG3 GLU 58 2HG GLU 58 -11.339 6.436 4.422 393 H ARG 59 H ARG 59 -11.338 4.157 4.601 394 HA ARG 59 HA ARG 59 -8.576 4.616 4.389 395 HB2 ARG 59 1HB ARG 59 -9.844 4.445 6.527 396 HB3 ARG 59 2HB ARG 59 -9.977 2.710 6.270 397 HG2 ARG 59 1HG ARG 59 -8.177 2.785 7.667 398 HG3 ARG 59 2HG ARG 59 -7.363 2.855 6.103 399 HD2 ARG 59 1HD ARG 59 -7.306 5.319 6.286 400 HD3 ARG 59 2HD ARG 59 -8.033 5.193 7.887 401 HE ARG 59 HE ARG 59 -5.742 3.608 7.869 402 HH11 ARG 59 1HH1 ARG 59 -6.606 6.969 7.600 403 HH12 ARG 59 2HH1 ARG 59 -5.121 7.541 8.285 404 HH21 ARG 59 1HH2 ARG 59 -3.783 4.347 8.773 405 HH22 ARG 59 2HH2 ARG 59 -3.515 6.048 8.951 406 H PHE 60 H PHE 60 -10.154 1.433 4.723 407 HA PHE 60 HA PHE 60 -8.154 -0.263 4.210 408 HB2 PHE 60 1HB PHE 60 -10.732 -0.680 4.397 409 HB3 PHE 60 2HB PHE 60 -10.673 -0.677 2.637 410 HD1 PHE 60 1HD PHE 60 -8.502 -2.093 5.325 411 HD2 PHE 60 2HD PHE 60 -10.749 -2.796 1.779 412 HE1 PHE 60 1HE PHE 60 -7.799 -4.451 5.350 413 HE2 PHE 60 2HE PHE 60 -10.050 -5.154 1.799 414 HZ PHE 60 HZ PHE 60 -8.574 -5.985 3.587 415 H THR 61 H THR 61 -10.011 1.337 1.627 416 HA THR 61 HA THR 61 -8.655 0.314 -0.561 417 HB THR 61 HB THR 61 -9.836 3.084 -0.270 418 HG1 THR 61 1HG THR 61 -11.601 1.954 -1.432 419 HG21 THR 61 3HG2 THR 61 -8.205 2.432 -2.250 420 HG22 THR 61 1HG2 THR 61 -9.663 3.381 -2.537 421 HG23 THR 61 2HG2 THR 61 -9.657 1.650 -2.874 422 H ARG 62 H ARG 62 -8.104 3.564 0.814 423 HA ARG 62 HA ARG 62 -5.871 4.296 -0.541 424 HB2 ARG 62 1HB ARG 62 -6.840 4.838 2.218 425 HB3 ARG 62 2HB ARG 62 -5.189 5.308 1.836 426 HG2 ARG 62 1HG ARG 62 -6.372 6.385 -0.272 427 HG3 ARG 62 2HG ARG 62 -7.756 6.388 0.823 428 HD2 ARG 62 1HD ARG 62 -6.677 7.776 2.367 429 HD3 ARG 62 2HD ARG 62 -5.086 7.454 1.677 430 HE ARG 62 HE ARG 62 -6.411 8.671 -0.346 431 HH11 ARG 62 1HH1 ARG 62 -5.857 9.485 2.993 432 HH12 ARG 62 2HH1 ARG 62 -5.884 11.195 2.716 433 HH21 ARG 62 1HH2 ARG 62 -6.448 10.920 -0.724 434 HH22 ARG 62 2HH2 ARG 62 -6.221 12.010 0.602 435 H ILE 63 H ILE 63 -5.853 2.450 2.508 436 HA ILE 63 HA ILE 63 -3.175 2.082 2.874 437 HB ILE 63 HB ILE 63 -5.345 0.023 3.286 438 HG12 ILE 63 1HG1 ILE 63 -4.052 1.759 5.378 439 HG13 ILE 63 2HG1 ILE 63 -5.446 2.318 4.459 440 HG21 ILE 63 1HG2 ILE 63 -3.259 -1.126 3.277 441 HG22 ILE 63 2HG2 ILE 63 -2.502 0.118 4.271 442 HG23 ILE 63 3HG2 ILE 63 -3.742 -0.928 4.961 443 HD11 ILE 63 3HD1 ILE 63 -6.874 0.978 5.561 444 HD12 ILE 63 1HD1 ILE 63 -5.706 -0.335 5.705 445 HD13 ILE 63 2HD1 ILE 63 -5.625 1.043 6.804 446 H SER 64 H SER 64 -5.292 0.031 0.876 447 HA SER 64 HA SER 64 -3.370 -1.774 -0.005 448 HB2 SER 64 1HB SER 64 -5.633 -2.303 -0.457 449 HB3 SER 64 2HB SER 64 -5.914 -0.765 -1.273 450 HG SER 64 HG SER 64 -4.439 -2.997 -2.186 451 H GLN 65 H GLN 65 -4.329 1.350 -1.370 452 HA GLN 65 HA GLN 65 -2.849 1.303 -3.712 453 HB2 GLN 65 1HB GLN 65 -3.262 3.737 -1.974 454 HB3 GLN 65 2HB GLN 65 -2.993 3.706 -3.711 455 HG2 GLN 65 1HG GLN 65 -5.170 2.288 -3.752 456 HG3 GLN 65 2HG GLN 65 -5.441 3.001 -2.162 457 HE21 GLN 65 1HE2 GLN 65 -7.293 3.582 -3.900 458 HE22 GLN 65 2HE2 GLN 65 -7.138 5.186 -4.523 459 H ALA 66 H ALA 66 -1.845 2.230 -0.449 460 HA ALA 66 HA ALA 66 0.705 3.192 -1.048 461 HB1 ALA 66 3HB ALA 66 -0.505 1.963 1.397 462 HB2 ALA 66 1HB ALA 66 1.211 2.370 1.354 463 HB3 ALA 66 2HB ALA 66 -0.001 3.630 1.115 464 H TYR 67 H TYR 67 -0.505 -0.068 -0.826 465 HA TYR 67 HA TYR 67 2.122 -1.266 -0.756 466 HB2 TYR 67 1HB TYR 67 0.045 -2.269 0.299 467 HB3 TYR 67 2HB TYR 67 -0.499 -2.650 -1.331 468 HD1 TYR 67 1HD TYR 67 2.828 -2.928 0.353 469 HD2 TYR 67 2HD TYR 67 -0.330 -4.925 -1.682 470 HE1 TYR 67 1HE TYR 67 4.117 -5.022 0.419 471 HE2 TYR 67 2HE TYR 67 0.949 -7.024 -1.621 472 HH TYR 67 HH TYR 67 3.039 -7.854 0.182 473 H VAL 68 H VAL 68 0.920 0.454 -3.058 474 HA VAL 68 HA VAL 68 1.455 -1.435 -5.250 475 HB VAL 68 HB VAL 68 0.079 1.253 -5.354 476 HG11 VAL 68 1HG1 VAL 68 -0.383 0.795 -7.652 477 HG12 VAL 68 2HG1 VAL 68 1.353 0.598 -7.406 478 HG13 VAL 68 3HG1 VAL 68 0.311 -0.821 -7.527 479 HG21 VAL 68 3HG2 VAL 68 -1.268 -1.340 -5.949 480 HG22 VAL 68 1HG2 VAL 68 -1.045 -0.852 -4.269 481 HG23 VAL 68 2HG2 VAL 68 -1.953 0.180 -5.374 482 H VAL 69 H VAL 69 1.775 2.096 -4.936 483 HA VAL 69 HA VAL 69 3.923 2.375 -6.669 484 HB VAL 69 HB VAL 69 3.439 4.131 -4.263 485 HG11 VAL 69 1HG1 VAL 69 5.374 4.935 -5.182 486 HG12 VAL 69 2HG1 VAL 69 4.956 4.397 -6.810 487 HG13 VAL 69 3HG1 VAL 69 4.188 5.832 -6.130 488 HG21 VAL 69 3HG2 VAL 69 1.359 4.306 -5.135 489 HG22 VAL 69 1HG2 VAL 69 2.163 5.411 -6.250 490 HG23 VAL 69 2HG2 VAL 69 1.861 3.741 -6.729 491 H LEU 70 H LEU 70 3.865 1.398 -3.331 492 HA LEU 70 HA LEU 70 6.800 1.483 -3.219 493 HB2 LEU 70 1HB LEU 70 4.894 0.971 -0.947 494 HB3 LEU 70 2HB LEU 70 6.616 1.336 -0.843 495 HG LEU 70 HG LEU 70 4.549 3.282 -1.858 496 HD11 LEU 70 1HD1 LEU 70 4.726 2.387 0.726 497 HD12 LEU 70 2HD1 LEU 70 4.081 3.948 0.220 498 HD13 LEU 70 3HD1 LEU 70 5.761 3.816 0.739 499 HD21 LEU 70 3HD2 LEU 70 7.395 3.673 -0.938 500 HD22 LEU 70 1HD2 LEU 70 6.302 4.925 -1.528 501 HD23 LEU 70 2HD2 LEU 70 6.857 3.655 -2.618 502 H GLY 71 H GLY 71 4.138 -0.627 -3.546 503 HA2 GLY 71 1HA GLY 71 4.880 -2.973 -2.341 504 HA3 GLY 71 2HA GLY 71 4.075 -2.901 -3.901 505 H SER 72 H SER 72 6.237 -1.566 -5.267 506 HA SER 72 HA SER 72 8.194 -3.770 -5.334 507 HB2 SER 72 1HB SER 72 6.725 -3.678 -7.334 508 HB3 SER 72 2HB SER 72 7.294 -2.039 -7.650 509 HG SER 72 HG SER 72 8.453 -3.598 -8.860 510 H ALA 73 H ALA 73 10.360 -3.195 -6.049 511 HA ALA 73 HA ALA 73 11.292 -0.822 -4.750 512 HB1 ALA 73 3HB ALA 73 12.406 -3.274 -5.512 513 HB2 ALA 73 1HB ALA 73 13.294 -2.043 -6.411 514 HB3 ALA 73 2HB ALA 73 13.199 -1.954 -4.652 515 H THR 74 H THR 74 10.838 -1.841 -8.090 516 HA THR 74 HA THR 74 12.217 0.222 -9.376 517 HB THR 74 HB THR 74 9.684 -1.043 -10.422 518 HG1 THR 74 1HG THR 74 10.743 -2.864 -10.524 519 HG21 THR 74 3HG2 THR 74 11.555 -0.799 -12.451 520 HG22 THR 74 1HG2 THR 74 11.747 0.685 -11.520 521 HG23 THR 74 2HG2 THR 74 10.168 0.256 -12.178 522 H LEU 75 H LEU 75 8.664 0.012 -9.181 523 HA LEU 75 HA LEU 75 7.885 2.437 -9.956 524 HB2 LEU 75 1HB LEU 75 6.866 1.230 -7.392 525 HB3 LEU 75 2HB LEU 75 6.000 2.319 -8.474 526 HG LEU 75 HG LEU 75 6.659 -0.585 -8.874 527 HD11 LEU 75 1HD1 LEU 75 4.014 0.608 -9.442 528 HD12 LEU 75 2HD1 LEU 75 4.505 0.519 -7.751 529 HD13 LEU 75 3HD1 LEU 75 4.431 -0.949 -8.725 530 HD21 LEU 75 3HD2 LEU 75 5.749 1.409 -10.945 531 HD22 LEU 75 1HD2 LEU 75 5.728 -0.342 -11.151 532 HD23 LEU 75 2HD2 LEU 75 7.262 0.501 -10.941 533 H ARG 76 H ARG 76 9.059 1.771 -6.663 534 HA ARG 76 HA ARG 76 8.805 4.226 -5.499 535 HB2 ARG 76 1HB ARG 76 10.792 2.026 -5.222 536 HB3 ARG 76 2HB ARG 76 11.166 3.561 -4.452 537 HG2 ARG 76 1HG ARG 76 9.341 3.428 -3.016 538 HG3 ARG 76 2HG ARG 76 8.526 2.222 -4.014 539 HD2 ARG 76 1HD ARG 76 9.313 0.885 -2.333 540 HD3 ARG 76 2HD ARG 76 10.670 0.801 -3.456 541 HE ARG 76 HE ARG 76 10.621 2.093 -0.871 542 HH11 ARG 76 1HH1 ARG 76 12.231 1.798 -3.943 543 HH12 ARG 76 2HH1 ARG 76 13.746 2.400 -3.355 544 HH21 ARG 76 1HH2 ARG 76 12.609 2.886 -0.084 545 HH22 ARG 76 2HH2 ARG 76 13.960 3.017 -1.159 546 H ARG 77 H ARG 77 11.562 3.146 -7.479 547 HA ARG 77 HA ARG 77 13.052 5.496 -7.366 548 HB2 ARG 77 1HB ARG 77 14.398 4.550 -8.957 549 HB3 ARG 77 2HB ARG 77 13.529 3.115 -8.429 550 HG2 ARG 77 1HG ARG 77 11.903 3.619 -10.334 551 HG3 ARG 77 2HG ARG 77 13.146 4.722 -10.928 552 HD2 ARG 77 1HD ARG 77 13.876 1.914 -10.223 553 HD3 ARG 77 2HD ARG 77 13.067 2.243 -11.755 554 HE ARG 77 HE ARG 77 15.168 4.023 -11.601 555 HH11 ARG 77 1HH1 ARG 77 14.758 0.566 -11.628 556 HH12 ARG 77 2HH1 ARG 77 16.288 0.259 -12.381 557 HH21 ARG 77 1HH2 ARG 77 17.184 3.632 -12.594 558 HH22 ARG 77 2HH2 ARG 77 17.668 2.004 -12.929 559 H LYS 78 H LYS 78 10.452 4.547 -9.562 560 HA LYS 78 HA LYS 78 10.638 6.720 -11.332 561 HB2 LYS 78 1HB LYS 78 8.159 5.173 -10.553 562 HB3 LYS 78 2HB LYS 78 8.362 6.148 -12.003 563 HG2 LYS 78 1HG LYS 78 10.296 4.582 -12.573 564 HG3 LYS 78 2HG LYS 78 9.646 3.528 -11.315 565 HD2 LYS 78 1HD LYS 78 7.690 3.118 -12.490 566 HD3 LYS 78 2HD LYS 78 7.850 4.582 -13.464 567 HE2 LYS 78 1HE LYS 78 9.319 3.612 -14.926 568 HE3 LYS 78 2HE LYS 78 9.944 2.486 -13.722 569 HZ1 LYS 78 3HZ LYS 78 7.343 1.748 -14.010 570 HZ2 LYS 78 1HZ LYS 78 8.671 0.983 -14.728 571 HZ3 LYS 78 2HZ LYS 78 7.799 2.148 -15.590 572 H TYR 79 H TYR 79 8.843 6.299 -8.316 573 HA TYR 79 HA TYR 79 7.346 8.659 -8.400 574 HB2 TYR 79 1HB TYR 79 7.071 6.743 -6.778 575 HB3 TYR 79 2HB TYR 79 8.454 7.381 -5.897 576 HD1 TYR 79 1HD TYR 79 5.278 8.735 -7.348 577 HD2 TYR 79 2HD TYR 79 7.931 8.606 -4.024 578 HE1 TYR 79 1HE TYR 79 3.783 10.241 -6.104 579 HE2 TYR 79 2HE TYR 79 6.443 10.111 -2.771 580 HH TYR 79 HH TYR 79 4.670 11.904 -3.418 581 H ASP 80 H ASP 80 10.575 8.030 -7.079 582 HA ASP 80 HA ASP 80 10.981 10.660 -6.090 583 HB2 ASP 80 1HB ASP 80 12.237 8.441 -5.532 584 HB3 ASP 80 2HB ASP 80 13.242 8.868 -6.914 585 H ARG 81 H ARG 81 11.064 9.322 -9.222 586 HA ARG 81 HA ARG 81 12.617 11.604 -10.241 587 HB2 ARG 81 1HB ARG 81 12.019 8.911 -11.470 588 HB3 ARG 81 2HB ARG 81 12.791 10.230 -12.340 589 HG2 ARG 81 1HG ARG 81 13.847 8.672 -10.004 590 HG3 ARG 81 2HG ARG 81 14.530 8.824 -11.625 591 HD2 ARG 81 1HD ARG 81 14.852 11.264 -11.161 592 HD3 ARG 81 2HD ARG 81 14.371 10.948 -9.494 593 HE ARG 81 HE ARG 81 16.432 9.187 -10.115 594 HH11 ARG 81 1HH1 ARG 81 15.940 12.619 -9.800 595 HH12 ARG 81 2HH1 ARG 81 17.572 12.940 -9.315 596 HH21 ARG 81 1HH2 ARG 81 18.584 9.597 -9.477 597 HH22 ARG 81 2HH2 ARG 81 19.075 11.221 -9.133 598 H GLY 82 H GLY 82 9.579 11.050 -9.562 599 HA2 GLY 82 1HA GLY 82 7.555 11.783 -10.360 600 HA3 GLY 82 2HA GLY 82 8.491 12.962 -11.266 601 H LEU 83 H LEU 83 9.072 9.606 -11.841 602 HA LEU 83 HA LEU 83 8.132 9.904 -14.565 603 HB2 LEU 83 1HB LEU 83 9.443 7.568 -13.183 604 HB3 LEU 83 2HB LEU 83 9.119 7.687 -14.911 605 HG LEU 83 HG LEU 83 10.918 9.617 -13.464 606 HD11 LEU 83 1HD1 LEU 83 12.784 8.309 -13.931 607 HD12 LEU 83 2HD1 LEU 83 11.900 7.275 -15.053 608 HD13 LEU 83 3HD1 LEU 83 11.607 7.147 -13.318 609 HD21 LEU 83 3HD2 LEU 83 10.517 8.887 -16.361 610 HD22 LEU 83 1HD2 LEU 83 11.815 9.922 -15.764 611 HD23 LEU 83 2HD2 LEU 83 10.133 10.423 -15.581 612 H LEU 84 H LEU 84 6.989 8.614 -11.609 613 HA LEU 84 HA LEU 84 5.274 6.596 -12.611 614 HB2 LEU 84 1HB LEU 84 6.044 6.938 -10.222 615 HB3 LEU 84 2HB LEU 84 4.829 8.210 -10.113 616 HG LEU 84 HG LEU 84 3.178 6.335 -10.835 617 HD11 LEU 84 1HD1 LEU 84 4.248 4.211 -9.538 618 HD12 LEU 84 2HD1 LEU 84 5.670 4.864 -10.350 619 HD13 LEU 84 3HD1 LEU 84 4.247 4.416 -11.290 620 HD21 LEU 84 3HD2 LEU 84 3.968 5.683 -8.123 621 HD22 LEU 84 1HD2 LEU 84 2.502 6.463 -8.717 622 HD23 LEU 84 2HD2 LEU 84 3.949 7.424 -8.410 623 H SER 85 H SER 85 2.990 6.633 -12.847 624 HA SER 85 HA SER 85 1.700 9.242 -13.038 625 HB2 SER 85 1HB SER 85 2.782 8.434 -15.297 626 HB3 SER 85 2HB SER 85 1.368 7.383 -15.365 627 HG SER 85 HG SER 85 0.932 10.066 -14.762 628 H ASP 86 H ASP 86 -0.652 9.063 -13.347 629 HA ASP 86 HA ASP 86 -1.865 7.387 -11.532 630 HB2 ASP 86 1HB ASP 86 -2.900 8.906 -13.901 631 HB3 ASP 86 2HB ASP 86 -3.982 7.851 -12.997 632 H GLU 87 H GLU 87 -1.108 6.791 -14.893 633 HA GLU 87 HA GLU 87 -2.712 4.685 -15.557 634 HB2 GLU 87 1HB GLU 87 -1.096 5.605 -17.113 635 HB3 GLU 87 2HB GLU 87 0.237 5.011 -16.132 636 HG2 GLU 87 1HG GLU 87 0.161 3.429 -17.778 637 HG3 GLU 87 2HG GLU 87 -0.862 2.686 -16.551 638 H ASP 88 H ASP 88 -0.081 4.717 -13.274 639 HA ASP 88 HA ASP 88 0.271 1.913 -13.055 640 HB2 ASP 88 1HB ASP 88 1.767 2.382 -11.371 641 HB3 ASP 88 2HB ASP 88 1.728 3.943 -12.186 642 H LEU 89 H LEU 89 -1.825 4.227 -11.428 643 HA LEU 89 HA LEU 89 -2.889 2.174 -9.666 644 HB2 LEU 89 1HB LEU 89 -3.924 4.977 -9.934 645 HB3 LEU 89 2HB LEU 89 -4.034 3.893 -8.549 646 HG LEU 89 HG LEU 89 -1.335 4.793 -9.425 647 HD11 LEU 89 1HD1 LEU 89 -3.448 6.604 -8.726 648 HD12 LEU 89 2HD1 LEU 89 -1.778 6.950 -9.173 649 HD13 LEU 89 3HD1 LEU 89 -2.190 6.625 -7.490 650 HD21 LEU 89 3HD2 LEU 89 -2.676 3.796 -6.976 651 HD22 LEU 89 1HD2 LEU 89 -1.339 4.928 -6.770 652 HD23 LEU 89 2HD2 LEU 89 -1.085 3.413 -7.637 653 H ARG 90 H ARG 90 -4.420 4.582 -11.811 654 HA ARG 90 HA ARG 90 -6.920 3.572 -12.006 655 HB2 ARG 90 1HB ARG 90 -7.058 4.532 -14.261 656 HB3 ARG 90 2HB ARG 90 -6.221 5.611 -13.153 657 HG2 ARG 90 1HG ARG 90 -4.825 5.761 -14.933 658 HG3 ARG 90 2HG ARG 90 -4.098 4.368 -14.128 659 HD2 ARG 90 1HD ARG 90 -4.279 3.736 -16.380 660 HD3 ARG 90 2HD ARG 90 -5.631 2.940 -15.576 661 HE ARG 90 HE ARG 90 -7.090 4.261 -16.767 662 HH11 ARG 90 1HH1 ARG 90 -3.842 5.457 -17.139 663 HH12 ARG 90 2HH1 ARG 90 -4.255 6.563 -18.407 664 HH21 ARG 90 1HH2 ARG 90 -7.647 5.714 -18.435 665 HH22 ARG 90 2HH2 ARG 90 -6.420 6.709 -19.142 666 H GLY 91 H GLY 91 -4.056 2.351 -13.666 667 HA2 GLY 91 1HA GLY 91 -3.669 0.382 -14.780 668 HA3 GLY 91 2HA GLY 91 -4.999 -0.279 -13.840 669 HA PRO 92 HA PRO 92 -6.041 0.547 -18.476 670 HB2 PRO 92 1HB PRO 92 -5.196 -1.754 -19.641 671 HB3 PRO 92 2HB PRO 92 -4.187 -0.307 -19.529 672 HG2 PRO 92 1HG PRO 92 -4.179 -2.759 -17.812 673 HG3 PRO 92 2HG PRO 92 -2.806 -1.847 -18.466 674 HD2 PRO 92 1HD PRO 92 -3.651 -1.573 -15.908 675 HD3 PRO 92 2HD PRO 92 -2.936 -0.232 -16.827 676 H GLY 93 H GLY 93 -8.168 0.196 -18.555 677 HA2 GLY 93 1HA GLY 93 -9.398 -2.040 -17.244 678 HA3 GLY 93 2HA GLY 93 -10.216 -0.808 -18.194 679 H SER 94 H SER 94 -9.530 -4.019 -18.047 680 HA SER 94 HA SER 94 -9.950 -4.328 -20.944 681 HB2 SER 94 1HB SER 94 -8.480 -6.224 -21.012 682 HB3 SER 94 2HB SER 94 -7.602 -4.911 -20.228 683 HG SER 94 HG SER 94 -8.016 -5.871 -18.239 684 H GLY 95 H GLY 95 -10.703 -6.672 -21.420 685 HA2 GLY 95 1HA GLY 95 -13.093 -7.086 -19.857 686 HA3 GLY 95 2HA GLY 95 -12.622 -7.969 -21.301 687 HA PRO 96 HA PRO 96 -11.958 -10.467 -17.315 688 HB2 PRO 96 1HB PRO 96 -14.013 -12.214 -17.621 689 HB3 PRO 96 2HB PRO 96 -14.171 -10.690 -16.739 690 HG2 PRO 96 1HG PRO 96 -14.972 -11.344 -19.548 691 HG3 PRO 96 2HG PRO 96 -15.855 -10.419 -18.319 692 HD2 PRO 96 1HD PRO 96 -14.462 -9.232 -20.315 693 HD3 PRO 96 2HD PRO 96 -14.636 -8.502 -18.706 694 H SER 97 H SER 97 -10.490 -12.027 -17.541 695 HA SER 97 HA SER 97 -9.626 -13.082 -19.931 696 HB2 SER 97 1HB SER 97 -9.440 -14.321 -17.175 697 HB3 SER 97 2HB SER 97 -8.498 -14.838 -18.574 698 HG SER 97 HG SER 97 -7.785 -12.555 -18.641 699 H SER 98 H SER 98 -9.931 -15.010 -21.040 700 HA SER 98 HA SER 98 -12.580 -16.038 -21.021 701 HB2 SER 98 1HB SER 98 -10.107 -17.051 -22.444 702 HB3 SER 98 2HB SER 98 -11.756 -17.582 -22.773 703 HG SER 98 HG SER 98 -12.052 -15.126 -23.035 704 H GLY 99 H GLY 99 -13.257 -17.228 -19.343 705 HA2 GLY 99 1HA GLY 99 -11.526 -19.462 -18.474 706 HA3 GLY 99 2HA GLY 99 -12.575 -18.575 -17.378 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 20.304 11.905 0.254 2 HA2 GLY 1 1HA GLY 1 20.690 14.414 1.055 3 HA3 GLY 1 2HA GLY 1 19.109 13.664 1.210 4 H SER 2 H SER 2 22.192 14.082 2.917 5 HA SER 2 HA SER 2 20.845 13.615 5.467 6 HB2 SER 2 1HB SER 2 22.932 12.467 5.279 7 HB3 SER 2 2HB SER 2 23.755 13.920 4.713 8 HG SER 2 HG SER 2 24.193 14.248 6.734 9 H SER 3 H SER 3 22.820 16.102 3.872 10 HA SER 3 HA SER 3 22.573 18.007 5.957 11 HB2 SER 3 1HB SER 3 24.314 17.950 4.076 12 HB3 SER 3 2HB SER 3 23.073 18.681 3.059 13 HG SER 3 HG SER 3 23.620 19.838 5.548 14 H GLY 4 H GLY 4 21.001 19.416 6.424 15 HA2 GLY 4 1HA GLY 4 18.426 19.278 5.717 16 HA3 GLY 4 2HA GLY 4 19.180 20.822 6.084 17 H SER 5 H SER 5 17.023 19.999 4.163 18 HA SER 5 HA SER 5 18.011 21.557 1.924 19 HB2 SER 5 1HB SER 5 16.947 18.747 1.544 20 HB3 SER 5 2HB SER 5 17.280 19.891 0.243 21 HG SER 5 HG SER 5 19.013 18.414 0.622 22 H SER 6 H SER 6 16.472 22.864 1.152 23 HA SER 6 HA SER 6 13.661 22.143 1.418 24 HB2 SER 6 1HB SER 6 14.561 23.491 3.480 25 HB3 SER 6 2HB SER 6 14.468 24.867 2.381 26 HG SER 6 HG SER 6 12.426 24.903 2.828 27 H GLY 7 H GLY 7 12.245 23.457 0.126 28 HA2 GLY 7 1HA GLY 7 13.317 25.478 -1.609 29 HA3 GLY 7 2HA GLY 7 13.061 23.949 -2.437 30 H SER 8 H SER 8 11.673 25.830 -3.523 31 HA SER 8 HA SER 8 9.333 26.796 -2.520 32 HB2 SER 8 1HB SER 8 8.546 27.009 -4.748 33 HB3 SER 8 2HB SER 8 10.303 27.103 -4.865 34 HG SER 8 HG SER 8 10.368 25.154 -5.778 35 H GLN 9 H GLN 9 7.059 26.053 -3.105 36 HA GLN 9 HA GLN 9 6.316 23.863 -1.667 37 HB2 GLN 9 1HB GLN 9 4.193 23.888 -2.911 38 HB3 GLN 9 2HB GLN 9 4.711 25.509 -2.467 39 HG2 GLN 9 1HG GLN 9 5.346 26.025 -4.668 40 HG3 GLN 9 2HG GLN 9 5.281 24.336 -5.167 41 HE21 GLN 9 1HE2 GLN 9 3.986 25.648 -6.850 42 HE22 GLN 9 2HE2 GLN 9 2.279 25.698 -6.589 43 H GLY 10 H GLY 10 5.237 21.825 -2.485 44 HA2 GLY 10 1HA GLY 10 5.763 20.627 -4.923 45 HA3 GLY 10 2HA GLY 10 7.163 20.291 -3.915 46 H ASP 11 H ASP 11 5.987 19.933 -1.447 47 HA ASP 11 HA ASP 11 5.022 17.267 -1.685 48 HB2 ASP 11 1HB ASP 11 4.566 17.670 0.864 49 HB3 ASP 11 2HB ASP 11 6.222 17.584 0.270 50 H CYS 12 H CYS 12 3.477 20.187 -0.332 51 HA CYS 12 HA CYS 12 0.967 19.234 0.138 52 HB2 CYS 12 1HB CYS 12 1.876 21.591 0.521 53 HB3 CYS 12 2HB CYS 12 1.416 21.927 -1.144 54 HG CYS 12 HG CYS 12 -1.110 20.577 0.506 55 H SER 13 H SER 13 2.197 20.457 -2.961 56 HA SER 13 HA SER 13 0.056 20.487 -4.572 57 HB2 SER 13 1HB SER 13 2.615 20.618 -5.132 58 HB3 SER 13 2HB SER 13 2.420 18.913 -5.539 59 HG SER 13 HG SER 13 0.717 20.915 -6.581 60 H TYR 14 H TYR 14 1.896 17.478 -4.025 61 HA TYR 14 HA TYR 14 -0.620 15.983 -4.233 62 HB2 TYR 14 1HB TYR 14 0.769 14.223 -5.524 63 HB3 TYR 14 2HB TYR 14 0.191 15.637 -6.398 64 HD1 TYR 14 2HD TYR 14 3.178 14.320 -4.606 65 HD2 TYR 14 1HD TYR 14 1.692 16.964 -7.589 66 HE1 TYR 14 2HE TYR 14 5.484 14.826 -5.298 67 HE2 TYR 14 1HE TYR 14 3.993 17.477 -8.290 68 HH TYR 14 HH TYR 14 6.274 16.249 -8.155 69 H SER 15 H SER 15 -0.716 14.095 -3.034 70 HA SER 15 HA SER 15 1.043 13.978 -0.778 71 HB2 SER 15 1HB SER 15 -1.342 12.382 -1.673 72 HB3 SER 15 2HB SER 15 -0.367 11.848 -0.304 73 HG SER 15 HG SER 15 -1.972 14.133 -0.571 74 H ARG 16 H ARG 16 3.016 13.145 -0.927 75 HA ARG 16 HA ARG 16 3.388 10.707 -2.540 76 HB2 ARG 16 1HB ARG 16 5.631 11.391 -3.019 77 HB3 ARG 16 2HB ARG 16 4.573 12.748 -3.383 78 HG2 ARG 16 1HG ARG 16 5.799 12.617 -0.682 79 HG3 ARG 16 2HG ARG 16 6.823 13.058 -2.050 80 HD2 ARG 16 1HD ARG 16 4.942 14.727 -2.627 81 HD3 ARG 16 2HD ARG 16 4.409 14.465 -0.968 82 HE ARG 16 HE ARG 16 6.221 15.665 -0.219 83 HH11 ARG 16 1HH1 ARG 16 6.602 14.948 -3.605 84 HH12 ARG 16 2HH1 ARG 16 7.963 16.002 -3.808 85 HH21 ARG 16 1HH2 ARG 16 8.012 17.055 -0.474 86 HH22 ARG 16 2HH2 ARG 16 8.764 17.199 -2.027 87 H THR 17 H THR 17 3.944 12.307 0.502 88 HA THR 17 HA THR 17 5.545 10.102 1.529 89 HB THR 17 HB THR 17 5.467 11.490 3.677 90 HG1 THR 17 1HG THR 17 3.613 12.772 2.539 91 HG21 THR 17 3HG2 THR 17 7.366 12.592 3.043 92 HG22 THR 17 1HG2 THR 17 6.665 13.156 1.527 93 HG23 THR 17 2HG2 THR 17 7.218 11.488 1.675 94 H ALA 18 H ALA 18 2.352 10.596 1.051 95 HA ALA 18 HA ALA 18 1.218 9.825 3.538 96 HB1 ALA 18 3HB ALA 18 -0.093 10.989 1.857 97 HB2 ALA 18 1HB ALA 18 0.083 9.627 0.751 98 HB3 ALA 18 2HB ALA 18 -0.833 9.437 2.247 99 H LEU 19 H LEU 19 1.719 7.997 0.514 100 HA LEU 19 HA LEU 19 0.838 5.527 1.295 101 HB2 LEU 19 1HB LEU 19 3.385 5.677 -0.242 102 HB3 LEU 19 2HB LEU 19 1.978 4.647 -0.498 103 HG LEU 19 HG LEU 19 2.387 7.504 -1.326 104 HD11 LEU 19 1HD1 LEU 19 3.068 6.227 -3.083 105 HD12 LEU 19 2HD1 LEU 19 1.343 6.304 -3.439 106 HD13 LEU 19 3HD1 LEU 19 2.018 4.876 -2.655 107 HD21 LEU 19 3HD2 LEU 19 -0.161 6.745 -2.138 108 HD22 LEU 19 1HD2 LEU 19 0.247 7.939 -0.907 109 HD23 LEU 19 2HD2 LEU 19 -0.070 6.268 -0.443 110 H TYR 20 H TYR 20 3.634 7.211 2.398 111 HA TYR 20 HA TYR 20 4.854 4.829 3.536 112 HB2 TYR 20 1HB TYR 20 5.689 7.726 3.777 113 HB3 TYR 20 2HB TYR 20 6.639 6.327 4.264 114 HD1 TYR 20 2HD TYR 20 5.026 7.857 1.272 115 HD2 TYR 20 1HD TYR 20 8.146 5.380 2.766 116 HE1 TYR 20 2HE TYR 20 6.013 7.753 -0.979 117 HE2 TYR 20 1HE TYR 20 9.142 5.270 0.520 118 HH TYR 20 HH TYR 20 8.941 7.045 -1.671 119 H ASP 21 H ASP 21 3.013 7.635 4.540 120 HA ASP 21 HA ASP 21 3.378 7.205 7.347 121 HB2 ASP 21 1HB ASP 21 2.877 9.435 6.551 122 HB3 ASP 21 2HB ASP 21 1.377 8.876 5.816 123 H LEU 22 H LEU 22 1.140 6.096 4.928 124 HA LEU 22 HA LEU 22 -0.950 5.265 6.632 125 HB2 LEU 22 1HB LEU 22 -0.085 4.570 3.861 126 HB3 LEU 22 2HB LEU 22 -1.329 3.602 4.648 127 HG LEU 22 HG LEU 22 -2.444 5.960 5.035 128 HD11 LEU 22 1HD1 LEU 22 -2.041 7.346 2.958 129 HD12 LEU 22 2HD1 LEU 22 -0.568 6.404 2.730 130 HD13 LEU 22 3HD1 LEU 22 -0.772 7.384 4.182 131 HD21 LEU 22 3HD2 LEU 22 -3.360 4.048 3.756 132 HD22 LEU 22 1HD2 LEU 22 -2.475 4.612 2.338 133 HD23 LEU 22 2HD2 LEU 22 -3.748 5.612 3.039 134 H LEU 23 H LEU 23 1.823 3.506 5.271 135 HA LEU 23 HA LEU 23 1.185 1.108 6.733 136 HB2 LEU 23 1HB LEU 23 3.288 1.962 4.820 137 HB3 LEU 23 2HB LEU 23 3.654 0.610 5.890 138 HG LEU 23 HG LEU 23 1.860 -0.685 4.976 139 HD11 LEU 23 1HD1 LEU 23 0.136 0.890 4.656 140 HD12 LEU 23 2HD1 LEU 23 0.525 0.269 3.052 141 HD13 LEU 23 3HD1 LEU 23 1.116 1.854 3.551 142 HD21 LEU 23 3HD2 LEU 23 3.437 0.679 2.796 143 HD22 LEU 23 1HD2 LEU 23 2.552 -0.836 2.617 144 HD23 LEU 23 2HD2 LEU 23 3.927 -0.743 3.718 145 H GLY 24 H GLY 24 3.774 3.551 6.866 146 HA2 GLY 24 1HA GLY 24 4.392 4.379 9.094 147 HA3 GLY 24 2HA GLY 24 4.243 2.723 9.664 148 H VAL 25 H VAL 25 5.711 3.375 6.587 149 HA VAL 25 HA VAL 25 8.327 2.659 7.741 150 HB VAL 25 HB VAL 25 8.936 1.711 5.598 151 HG11 VAL 25 1HG1 VAL 25 6.524 0.797 7.032 152 HG12 VAL 25 2HG1 VAL 25 6.821 0.061 5.456 153 HG13 VAL 25 3HG1 VAL 25 8.046 -0.037 6.722 154 HG21 VAL 25 3HG2 VAL 25 7.429 3.386 4.342 155 HG22 VAL 25 1HG2 VAL 25 7.626 1.766 3.675 156 HG23 VAL 25 2HG2 VAL 25 6.162 2.181 4.565 157 HA PRO 26 HA PRO 26 10.012 6.497 6.424 158 HB2 PRO 26 1HB PRO 26 12.584 5.770 5.946 159 HB3 PRO 26 2HB PRO 26 11.911 5.907 7.575 160 HG2 PRO 26 1HG PRO 26 12.327 3.463 5.897 161 HG3 PRO 26 2HG PRO 26 12.648 3.702 7.625 162 HD2 PRO 26 1HD PRO 26 10.436 2.431 6.715 163 HD3 PRO 26 2HD PRO 26 10.438 3.396 8.205 164 H SER 27 H SER 27 11.477 7.418 4.626 165 HA SER 27 HA SER 27 10.305 6.697 2.118 166 HB2 SER 27 1HB SER 27 10.787 9.033 2.606 167 HB3 SER 27 2HB SER 27 12.503 8.669 2.789 168 HG SER 27 HG SER 27 12.718 8.724 0.699 169 H THR 28 H THR 28 13.152 5.807 3.806 170 HA THR 28 HA THR 28 14.293 4.626 1.360 171 HB THR 28 HB THR 28 16.443 4.589 2.446 172 HG1 THR 28 1HG THR 28 15.053 5.585 4.729 173 HG21 THR 28 3HG2 THR 28 16.412 7.177 3.219 174 HG22 THR 28 1HG2 THR 28 14.906 7.104 2.305 175 HG23 THR 28 2HG2 THR 28 16.429 6.660 1.533 176 H ALA 29 H ALA 29 12.135 3.570 3.165 177 HA ALA 29 HA ALA 29 13.095 1.461 4.741 178 HB1 ALA 29 3HB ALA 29 10.518 1.059 3.352 179 HB2 ALA 29 1HB ALA 29 10.922 0.921 5.064 180 HB3 ALA 29 2HB ALA 29 10.666 2.511 4.344 181 H THR 30 H THR 30 12.140 -0.892 4.049 182 HA THR 30 HA THR 30 13.226 -1.499 1.381 183 HB THR 30 HB THR 30 14.915 -2.110 3.043 184 HG1 THR 30 1HG THR 30 14.159 -3.557 1.143 185 HG21 THR 30 3HG2 THR 30 14.508 -3.759 4.747 186 HG22 THR 30 1HG2 THR 30 12.854 -3.997 4.184 187 HG23 THR 30 2HG2 THR 30 13.321 -2.467 4.927 188 H GLN 31 H GLN 31 12.348 -3.331 0.338 189 HA GLN 31 HA GLN 31 9.674 -3.687 0.348 190 HB2 GLN 31 1HB GLN 31 11.250 -4.676 -1.300 191 HB3 GLN 31 2HB GLN 31 11.653 -5.921 -0.126 192 HG2 GLN 31 1HG GLN 31 10.106 -6.946 -1.514 193 HG3 GLN 31 2HG GLN 31 9.154 -6.457 -0.114 194 HE21 GLN 31 1HE2 GLN 31 10.149 -5.307 -3.312 195 HE22 GLN 31 2HE2 GLN 31 8.655 -4.524 -3.688 196 H ALA 32 H ALA 32 11.975 -5.487 2.352 197 HA ALA 32 HA ALA 32 10.285 -7.333 3.513 198 HB1 ALA 32 3HB ALA 32 12.861 -6.149 4.159 199 HB2 ALA 32 1HB ALA 32 11.946 -6.622 5.592 200 HB3 ALA 32 2HB ALA 32 12.301 -7.811 4.339 201 H GLN 33 H GLN 33 10.976 -4.026 4.635 202 HA GLN 33 HA GLN 33 9.130 -4.166 6.807 203 HB2 GLN 33 1HB GLN 33 10.434 -1.786 5.476 204 HB3 GLN 33 2HB GLN 33 9.512 -1.718 6.972 205 HG2 GLN 33 1HG GLN 33 11.127 -3.182 8.052 206 HG3 GLN 33 2HG GLN 33 12.043 -3.291 6.549 207 HE21 GLN 33 1HE2 GLN 33 13.872 -2.238 6.883 208 HE22 GLN 33 2HE2 GLN 33 14.017 -0.643 7.532 209 H ILE 34 H ILE 34 9.068 -2.398 3.710 210 HA ILE 34 HA ILE 34 6.601 -1.239 3.840 211 HB ILE 34 HB ILE 34 8.012 -2.469 1.485 212 HG12 ILE 34 1HG1 ILE 34 7.447 0.427 2.131 213 HG13 ILE 34 2HG1 ILE 34 8.908 -0.407 2.651 214 HG21 ILE 34 1HG2 ILE 34 5.644 -2.571 0.994 215 HG22 ILE 34 2HG2 ILE 34 5.448 -0.884 1.465 216 HG23 ILE 34 3HG2 ILE 34 6.400 -1.295 0.039 217 HD11 ILE 34 3HD1 ILE 34 8.695 -0.898 -0.091 218 HD12 ILE 34 1HD1 ILE 34 8.301 0.807 0.129 219 HD13 ILE 34 2HD1 ILE 34 9.833 0.170 0.730 220 H LYS 35 H LYS 35 7.342 -4.613 3.240 221 HA LYS 35 HA LYS 35 4.634 -5.310 2.553 222 HB2 LYS 35 1HB LYS 35 6.918 -6.480 1.920 223 HB3 LYS 35 2HB LYS 35 6.639 -7.346 3.425 224 HG2 LYS 35 1HG LYS 35 4.246 -7.699 2.346 225 HG3 LYS 35 2HG LYS 35 5.165 -7.471 0.856 226 HD2 LYS 35 1HD LYS 35 5.386 -9.733 1.105 227 HD3 LYS 35 2HD LYS 35 6.797 -9.196 2.020 228 HE2 LYS 35 1HE LYS 35 5.115 -9.180 4.024 229 HE3 LYS 35 2HE LYS 35 4.191 -10.278 3.000 230 HZ1 LYS 35 3HZ LYS 35 6.026 -11.128 4.677 231 HZ2 LYS 35 1HZ LYS 35 7.031 -10.849 3.345 232 HZ3 LYS 35 2HZ LYS 35 5.723 -11.912 3.209 233 H ALA 36 H ALA 36 6.769 -5.941 5.333 234 HA ALA 36 HA ALA 36 5.004 -7.334 6.938 235 HB1 ALA 36 3HB ALA 36 6.450 -5.729 8.699 236 HB2 ALA 36 1HB ALA 36 6.872 -7.347 8.140 237 HB3 ALA 36 2HB ALA 36 7.496 -5.930 7.294 238 H ALA 37 H ALA 37 5.230 -3.878 6.367 239 HA ALA 37 HA ALA 37 3.533 -3.044 8.471 240 HB1 ALA 37 3HB ALA 37 5.104 -1.586 7.164 241 HB2 ALA 37 1HB ALA 37 3.931 -1.623 5.847 242 HB3 ALA 37 2HB ALA 37 3.488 -0.921 7.403 243 H TYR 38 H TYR 38 2.777 -2.967 4.987 244 HA TYR 38 HA TYR 38 0.125 -2.557 5.017 245 HB2 TYR 38 1HB TYR 38 1.281 -2.846 2.928 246 HB3 TYR 38 2HB TYR 38 1.626 -4.533 3.292 247 HD1 TYR 38 1HD TYR 38 -1.179 -2.173 2.654 248 HD2 TYR 38 2HD TYR 38 0.153 -6.214 2.602 249 HE1 TYR 38 1HE TYR 38 -3.253 -2.836 1.509 250 HE2 TYR 38 2HE TYR 38 -1.916 -6.887 1.456 251 HH TYR 38 HH TYR 38 -3.659 -5.891 0.067 252 H TYR 39 H TYR 39 1.611 -5.769 5.394 253 HA TYR 39 HA TYR 39 -0.627 -7.330 5.639 254 HB2 TYR 39 1HB TYR 39 2.123 -7.479 6.763 255 HB3 TYR 39 2HB TYR 39 0.913 -8.559 7.446 256 HD1 TYR 39 2HD TYR 39 1.387 -7.399 3.933 257 HD2 TYR 39 1HD TYR 39 1.426 -10.679 6.644 258 HE1 TYR 39 2HE TYR 39 1.711 -8.946 2.049 259 HE2 TYR 39 1HE TYR 39 1.751 -12.234 4.766 260 HH TYR 39 HH TYR 39 1.261 -11.390 1.574 261 H ARG 40 H ARG 40 0.984 -5.496 8.221 262 HA ARG 40 HA ARG 40 -0.713 -6.282 10.313 263 HB2 ARG 40 1HB ARG 40 1.197 -4.050 9.852 264 HB3 ARG 40 2HB ARG 40 0.046 -3.868 11.169 265 HG2 ARG 40 1HG ARG 40 0.862 -6.237 11.858 266 HG3 ARG 40 2HG ARG 40 2.254 -5.847 10.846 267 HD2 ARG 40 1HD ARG 40 2.352 -3.657 12.191 268 HD3 ARG 40 2HD ARG 40 1.291 -4.479 13.335 269 HE ARG 40 HE ARG 40 3.063 -5.776 14.007 270 HH11 ARG 40 1HH1 ARG 40 3.894 -4.094 11.074 271 HH12 ARG 40 2HH1 ARG 40 5.568 -4.535 11.142 272 HH21 ARG 40 1HH2 ARG 40 5.265 -6.363 14.107 273 HH22 ARG 40 2HH2 ARG 40 6.347 -5.826 12.867 274 H GLN 41 H GLN 41 -0.841 -3.459 8.161 275 HA GLN 41 HA GLN 41 -3.004 -2.138 9.257 276 HB2 GLN 41 1HB GLN 41 -1.971 -2.365 6.451 277 HB3 GLN 41 2HB GLN 41 -3.442 -1.460 6.780 278 HG2 GLN 41 1HG GLN 41 -1.769 0.148 6.806 279 HG3 GLN 41 2HG GLN 41 -2.061 -0.191 8.511 280 HE21 GLN 41 1HE2 GLN 41 -0.343 -0.547 9.715 281 HE22 GLN 41 2HE2 GLN 41 1.214 -1.035 9.149 282 H CYS 42 H CYS 42 -3.002 -4.783 6.898 283 HA CYS 42 HA CYS 42 -5.647 -4.921 6.222 284 HB2 CYS 42 1HB CYS 42 -3.818 -6.414 5.379 285 HB3 CYS 42 2HB CYS 42 -3.941 -7.329 6.877 286 HG CYS 42 HG CYS 42 -5.369 -8.998 5.456 287 H PHE 43 H PHE 43 -4.149 -6.518 9.033 288 HA PHE 43 HA PHE 43 -6.570 -7.516 10.087 289 HB2 PHE 43 1HB PHE 43 -4.581 -8.561 10.829 290 HB3 PHE 43 2HB PHE 43 -3.852 -7.027 11.291 291 HD1 PHE 43 1HD PHE 43 -5.002 -5.734 13.206 292 HD2 PHE 43 2HD PHE 43 -5.629 -9.869 12.419 293 HE1 PHE 43 1HE PHE 43 -5.799 -6.048 15.512 294 HE2 PHE 43 2HE PHE 43 -6.429 -10.190 14.724 295 HZ PHE 43 HZ PHE 43 -6.515 -8.278 16.273 296 H LEU 44 H LEU 44 -4.627 -4.664 10.950 297 HA LEU 44 HA LEU 44 -6.029 -3.653 13.052 298 HB2 LEU 44 1HB LEU 44 -4.575 -2.383 10.788 299 HB3 LEU 44 2HB LEU 44 -5.515 -1.350 11.863 300 HG LEU 44 HG LEU 44 -3.517 -3.244 13.023 301 HD11 LEU 44 1HD1 LEU 44 -2.909 -0.625 11.675 302 HD12 LEU 44 2HD1 LEU 44 -2.193 -2.204 11.354 303 HD13 LEU 44 3HD1 LEU 44 -1.849 -1.372 12.870 304 HD21 LEU 44 3HD2 LEU 44 -4.691 -2.205 14.708 305 HD22 LEU 44 1HD2 LEU 44 -4.879 -0.704 13.799 306 HD23 LEU 44 2HD2 LEU 44 -3.320 -1.111 14.518 307 H TYR 45 H TYR 45 -6.799 -3.148 9.617 308 HA TYR 45 HA TYR 45 -9.503 -2.316 10.444 309 HB2 TYR 45 1HB TYR 45 -7.782 -1.359 8.163 310 HB3 TYR 45 2HB TYR 45 -9.524 -1.110 8.183 311 HD1 TYR 45 2HD TYR 45 -6.361 -0.287 9.899 312 HD2 TYR 45 1HD TYR 45 -10.513 0.574 9.548 313 HE1 TYR 45 2HE TYR 45 -6.049 1.744 11.252 314 HE2 TYR 45 1HE TYR 45 -10.213 2.607 10.899 315 HH TYR 45 HH TYR 45 -7.267 3.278 12.579 316 H HIS 46 H HIS 46 -8.987 -4.985 10.183 317 HA HIS 46 HA HIS 46 -9.425 -6.034 7.596 318 HB2 HIS 46 1HB HIS 46 -8.636 -7.165 9.861 319 HB3 HIS 46 2HB HIS 46 -10.353 -7.526 10.010 320 HD2 HIS 46 2HD HIS 46 -7.316 -8.489 7.738 321 HE1 HIS 46 1HE HIS 46 -10.536 -11.123 6.908 322 HE2 HIS 46 2HE HIS 46 -8.087 -10.656 6.554 323 HA PRO 47 HA PRO 47 -13.725 -5.265 7.026 324 HB2 PRO 47 1HB PRO 47 -14.233 -7.161 5.150 325 HB3 PRO 47 2HB PRO 47 -13.343 -5.675 4.797 326 HG2 PRO 47 1HG PRO 47 -12.295 -8.424 5.348 327 HG3 PRO 47 2HG PRO 47 -11.778 -7.255 4.120 328 HD2 PRO 47 1HD PRO 47 -10.428 -7.627 6.437 329 HD3 PRO 47 2HD PRO 47 -10.505 -6.053 5.619 330 H ASP 48 H ASP 48 -12.543 -8.481 7.787 331 HA ASP 48 HA ASP 48 -15.032 -9.723 8.247 332 HB2 ASP 48 1HB ASP 48 -13.170 -11.157 8.004 333 HB3 ASP 48 2HB ASP 48 -12.240 -10.291 9.223 334 H ARG 49 H ARG 49 -12.808 -8.004 10.407 335 HA ARG 49 HA ARG 49 -14.780 -8.195 12.568 336 HB2 ARG 49 1HB ARG 49 -11.845 -7.603 12.471 337 HB3 ARG 49 2HB ARG 49 -12.797 -7.058 13.845 338 HG2 ARG 49 1HG ARG 49 -13.604 -9.558 13.866 339 HG3 ARG 49 2HG ARG 49 -12.087 -9.818 13.002 340 HD2 ARG 49 1HD ARG 49 -11.745 -10.115 15.380 341 HD3 ARG 49 2HD ARG 49 -10.881 -8.683 14.822 342 HE ARG 49 HE ARG 49 -13.190 -7.632 15.676 343 HH11 ARG 49 1HH1 ARG 49 -11.004 -9.913 17.140 344 HH12 ARG 49 2HH1 ARG 49 -11.374 -9.425 18.761 345 HH21 ARG 49 1HH2 ARG 49 -13.684 -6.981 17.805 346 HH22 ARG 49 2HH2 ARG 49 -12.899 -7.757 19.138 347 H ASN 50 H ASN 50 -15.788 -6.606 10.729 348 HA ASN 50 HA ASN 50 -16.046 -4.106 12.028 349 HB2 ASN 50 1HB ASN 50 -14.196 -4.278 9.693 350 HB3 ASN 50 2HB ASN 50 -15.236 -2.863 9.824 351 HD21 ASN 50 1HD2 ASN 50 -12.354 -4.276 10.772 352 HD22 ASN 50 2HD2 ASN 50 -11.925 -3.172 12.030 353 H SER 51 H SER 51 -18.132 -3.712 11.760 354 HA SER 51 HA SER 51 -19.317 -4.115 9.097 355 HB2 SER 51 1HB SER 51 -19.886 -5.934 10.832 356 HB3 SER 51 2HB SER 51 -20.849 -4.689 11.628 357 HG SER 51 HG SER 51 -21.154 -5.273 8.881 358 H GLY 52 H GLY 52 -20.326 -2.371 8.342 359 HA2 GLY 52 1HA GLY 52 -21.720 -0.494 8.397 360 HA3 GLY 52 2HA GLY 52 -21.681 -0.544 10.153 361 H SER 53 H SER 53 -18.814 -0.612 10.384 362 HA SER 53 HA SER 53 -18.188 2.022 10.701 363 HB2 SER 53 1HB SER 53 -16.537 -0.424 10.263 364 HB3 SER 53 2HB SER 53 -15.727 1.141 10.200 365 HG SER 53 HG SER 53 -15.790 1.137 12.288 366 H ALA 54 H ALA 54 -18.760 3.423 9.096 367 HA ALA 54 HA ALA 54 -18.364 3.087 6.355 368 HB1 ALA 54 3HB ALA 54 -18.407 5.700 7.859 369 HB2 ALA 54 1HB ALA 54 -18.756 5.458 6.147 370 HB3 ALA 54 2HB ALA 54 -19.838 4.791 7.370 371 H GLU 55 H GLU 55 -16.397 5.022 8.622 372 HA GLU 55 HA GLU 55 -14.397 5.811 6.915 373 HB2 GLU 55 1HB GLU 55 -12.904 5.779 8.964 374 HB3 GLU 55 2HB GLU 55 -14.397 6.697 9.109 375 HG2 GLU 55 1HG GLU 55 -15.356 4.528 10.131 376 HG3 GLU 55 2HG GLU 55 -13.665 4.080 10.349 377 H ALA 56 H ALA 56 -14.292 2.910 8.991 378 HA ALA 56 HA ALA 56 -11.978 1.744 8.383 379 HB1 ALA 56 3HB ALA 56 -13.259 -0.485 8.304 380 HB2 ALA 56 1HB ALA 56 -13.390 0.505 9.758 381 HB3 ALA 56 2HB ALA 56 -14.697 0.499 8.573 382 H ALA 57 H ALA 57 -14.793 1.699 6.218 383 HA ALA 57 HA ALA 57 -13.649 0.145 4.180 384 HB1 ALA 57 3HB ALA 57 -15.935 0.349 3.984 385 HB2 ALA 57 1HB ALA 57 -15.915 2.084 4.300 386 HB3 ALA 57 2HB ALA 57 -15.375 1.465 2.739 387 H GLU 58 H GLU 58 -14.069 3.691 4.284 388 HA GLU 58 HA GLU 58 -12.709 4.368 2.002 389 HB2 GLU 58 1HB GLU 58 -12.775 5.829 4.646 390 HB3 GLU 58 2HB GLU 58 -12.180 6.532 3.149 391 HG2 GLU 58 1HG GLU 58 -14.978 5.526 3.616 392 HG3 GLU 58 2HG GLU 58 -14.472 7.215 3.644 393 H ARG 59 H ARG 59 -11.284 4.178 5.267 394 HA ARG 59 HA ARG 59 -8.660 4.707 4.639 395 HB2 ARG 59 1HB ARG 59 -9.699 4.307 6.933 396 HB3 ARG 59 2HB ARG 59 -9.459 2.591 6.632 397 HG2 ARG 59 1HG ARG 59 -7.603 3.214 7.884 398 HG3 ARG 59 2HG ARG 59 -7.008 3.196 6.222 399 HD2 ARG 59 1HD ARG 59 -7.237 5.602 6.081 400 HD3 ARG 59 2HD ARG 59 -7.944 5.655 7.695 401 HE ARG 59 HE ARG 59 -5.557 4.501 8.146 402 HH11 ARG 59 1HH1 ARG 59 -6.491 7.374 6.416 403 HH12 ARG 59 2HH1 ARG 59 -5.010 8.211 6.745 404 HH21 ARG 59 1HH2 ARG 59 -3.603 5.592 8.586 405 HH22 ARG 59 2HH2 ARG 59 -3.368 7.196 7.979 406 H PHE 60 H PHE 60 -10.090 1.446 4.897 407 HA PHE 60 HA PHE 60 -7.995 -0.096 4.115 408 HB2 PHE 60 1HB PHE 60 -10.503 -0.694 4.646 409 HB3 PHE 60 2HB PHE 60 -10.663 -0.681 2.892 410 HD1 PHE 60 1HD PHE 60 -8.334 -2.042 5.473 411 HD2 PHE 60 2HD PHE 60 -10.427 -2.690 1.824 412 HE1 PHE 60 1HE PHE 60 -7.458 -4.340 5.382 413 HE2 PHE 60 2HE PHE 60 -9.555 -4.989 1.728 414 HZ PHE 60 HZ PHE 60 -8.069 -5.817 3.509 415 H THR 61 H THR 61 -10.329 1.425 1.897 416 HA THR 61 HA THR 61 -9.295 0.577 -0.511 417 HB THR 61 HB THR 61 -10.490 3.287 0.104 418 HG1 THR 61 1HG THR 61 -11.665 1.109 0.407 419 HG21 THR 61 3HG2 THR 61 -10.534 1.943 -2.575 420 HG22 THR 61 1HG2 THR 61 -9.163 2.943 -2.097 421 HG23 THR 61 2HG2 THR 61 -10.779 3.644 -2.178 422 H ARG 62 H ARG 62 -8.318 3.401 1.405 423 HA ARG 62 HA ARG 62 -6.367 4.318 -0.437 424 HB2 ARG 62 1HB ARG 62 -7.084 4.909 2.391 425 HB3 ARG 62 2HB ARG 62 -5.486 5.394 1.841 426 HG2 ARG 62 1HG ARG 62 -6.795 6.459 -0.143 427 HG3 ARG 62 2HG ARG 62 -8.165 6.362 0.966 428 HD2 ARG 62 1HD ARG 62 -7.367 8.437 1.500 429 HD3 ARG 62 2HD ARG 62 -6.453 7.453 2.642 430 HE ARG 62 HE ARG 62 -4.540 8.051 1.551 431 HH11 ARG 62 1HH1 ARG 62 -7.257 8.645 -0.544 432 HH12 ARG 62 2HH1 ARG 62 -6.309 9.424 -1.768 433 HH21 ARG 62 1HH2 ARG 62 -3.282 9.075 -0.053 434 HH22 ARG 62 2HH2 ARG 62 -4.048 9.667 -1.488 435 H ILE 63 H ILE 63 -6.015 2.619 2.681 436 HA ILE 63 HA ILE 63 -3.354 2.257 2.863 437 HB ILE 63 HB ILE 63 -5.405 0.085 3.311 438 HG12 ILE 63 1HG1 ILE 63 -4.186 1.986 5.318 439 HG13 ILE 63 2HG1 ILE 63 -5.732 2.277 4.529 440 HG21 ILE 63 1HG2 ILE 63 -3.824 -1.224 4.224 441 HG22 ILE 63 2HG2 ILE 63 -2.717 -0.265 3.243 442 HG23 ILE 63 3HG2 ILE 63 -2.965 0.138 4.941 443 HD11 ILE 63 3HD1 ILE 63 -5.756 1.244 6.854 444 HD12 ILE 63 1HD1 ILE 63 -6.752 0.484 5.614 445 HD13 ILE 63 2HD1 ILE 63 -5.207 -0.236 6.068 446 H SER 64 H SER 64 -5.495 0.166 0.930 447 HA SER 64 HA SER 64 -3.641 -1.597 -0.078 448 HB2 SER 64 1HB SER 64 -5.896 -2.044 -0.590 449 HB3 SER 64 2HB SER 64 -6.150 -0.441 -1.278 450 HG SER 64 HG SER 64 -4.266 -2.160 -2.447 451 H GLN 65 H GLN 65 -4.508 1.599 -1.351 452 HA GLN 65 HA GLN 65 -3.056 1.652 -3.676 453 HB2 GLN 65 1HB GLN 65 -3.165 3.982 -1.762 454 HB3 GLN 65 2HB GLN 65 -3.045 4.035 -3.516 455 HG2 GLN 65 1HG GLN 65 -5.416 3.203 -1.868 456 HG3 GLN 65 2HG GLN 65 -5.267 4.619 -2.907 457 HE21 GLN 65 1HE2 GLN 65 -7.313 2.676 -3.061 458 HE22 GLN 65 2HE2 GLN 65 -7.191 1.898 -4.599 459 H ALA 66 H ALA 66 -1.883 2.253 -0.390 460 HA ALA 66 HA ALA 66 0.728 3.025 -1.030 461 HB1 ALA 66 3HB ALA 66 -0.337 1.617 1.412 462 HB2 ALA 66 1HB ALA 66 1.287 2.291 1.281 463 HB3 ALA 66 2HB ALA 66 -0.119 3.353 1.188 464 H TYR 67 H TYR 67 -0.745 -0.146 -0.774 465 HA TYR 67 HA TYR 67 1.804 -1.509 -1.018 466 HB2 TYR 67 1HB TYR 67 -0.202 -2.333 0.353 467 HB3 TYR 67 2HB TYR 67 -0.917 -2.793 -1.188 468 HD1 TYR 67 1HD TYR 67 2.511 -3.098 0.285 469 HD2 TYR 67 2HD TYR 67 -0.799 -5.067 -1.522 470 HE1 TYR 67 1HE TYR 67 3.746 -5.224 0.353 471 HE2 TYR 67 2HE TYR 67 0.426 -7.198 -1.457 472 HH TYR 67 HH TYR 67 3.781 -7.366 -0.669 473 H VAL 68 H VAL 68 0.642 0.273 -3.163 474 HA VAL 68 HA VAL 68 0.648 -1.697 -5.357 475 HB VAL 68 HB VAL 68 -0.613 1.049 -5.342 476 HG11 VAL 68 1HG1 VAL 68 -0.603 -1.106 -7.453 477 HG12 VAL 68 2HG1 VAL 68 -1.536 0.391 -7.522 478 HG13 VAL 68 3HG1 VAL 68 0.227 0.447 -7.541 479 HG21 VAL 68 3HG2 VAL 68 -1.649 -0.997 -4.043 480 HG22 VAL 68 1HG2 VAL 68 -2.662 0.086 -4.999 481 HG23 VAL 68 2HG2 VAL 68 -2.166 -1.471 -5.661 482 H VAL 69 H VAL 69 1.520 1.675 -4.595 483 HA VAL 69 HA VAL 69 3.345 1.844 -6.809 484 HB VAL 69 HB VAL 69 2.911 3.704 -4.469 485 HG11 VAL 69 1HG1 VAL 69 4.865 4.602 -5.070 486 HG12 VAL 69 2HG1 VAL 69 4.934 3.666 -6.564 487 HG13 VAL 69 3HG1 VAL 69 4.022 5.175 -6.509 488 HG21 VAL 69 3HG2 VAL 69 1.681 3.414 -7.147 489 HG22 VAL 69 1HG2 VAL 69 0.980 3.980 -5.631 490 HG23 VAL 69 2HG2 VAL 69 2.002 5.054 -6.586 491 H LEU 70 H LEU 70 3.580 1.266 -3.351 492 HA LEU 70 HA LEU 70 6.494 1.218 -3.479 493 HB2 LEU 70 1HB LEU 70 4.679 0.754 -1.119 494 HB3 LEU 70 2HB LEU 70 6.425 0.991 -1.073 495 HG LEU 70 HG LEU 70 4.587 3.124 -2.115 496 HD11 LEU 70 1HD1 LEU 70 3.831 3.637 -0.095 497 HD12 LEU 70 2HD1 LEU 70 5.461 3.605 0.578 498 HD13 LEU 70 3HD1 LEU 70 4.512 2.121 0.495 499 HD21 LEU 70 3HD2 LEU 70 6.623 4.395 -0.960 500 HD22 LEU 70 1HD2 LEU 70 6.684 3.824 -2.628 501 HD23 LEU 70 2HD2 LEU 70 7.437 2.877 -1.344 502 H GLY 71 H GLY 71 3.830 -0.915 -3.628 503 HA2 GLY 71 1HA GLY 71 4.619 -3.253 -2.477 504 HA3 GLY 71 2HA GLY 71 3.789 -3.187 -4.025 505 H SER 72 H SER 72 5.684 -2.082 -5.662 506 HA SER 72 HA SER 72 7.722 -4.200 -5.684 507 HB2 SER 72 1HB SER 72 6.557 -2.519 -7.911 508 HB3 SER 72 2HB SER 72 7.940 -3.593 -8.126 509 HG SER 72 HG SER 72 6.668 -5.303 -7.934 510 H ALA 73 H ALA 73 9.682 -3.628 -5.046 511 HA ALA 73 HA ALA 73 10.657 -1.267 -4.256 512 HB1 ALA 73 3HB ALA 73 12.849 -2.324 -5.607 513 HB2 ALA 73 1HB ALA 73 12.383 -2.629 -3.933 514 HB3 ALA 73 2HB ALA 73 11.843 -3.718 -5.212 515 H THR 74 H THR 74 10.367 -2.289 -7.608 516 HA THR 74 HA THR 74 11.838 -0.191 -8.781 517 HB THR 74 HB THR 74 9.515 -1.706 -9.988 518 HG1 THR 74 1HG THR 74 12.312 -2.261 -9.948 519 HG21 THR 74 3HG2 THR 74 11.642 -0.922 -11.781 520 HG22 THR 74 1HG2 THR 74 10.942 0.481 -10.975 521 HG23 THR 74 2HG2 THR 74 9.910 -0.615 -11.895 522 H LEU 75 H LEU 75 8.305 -0.567 -9.015 523 HA LEU 75 HA LEU 75 7.571 1.882 -9.838 524 HB2 LEU 75 1HB LEU 75 6.169 0.453 -7.587 525 HB3 LEU 75 2HB LEU 75 5.457 1.600 -8.720 526 HG LEU 75 HG LEU 75 6.546 -1.104 -9.495 527 HD11 LEU 75 1HD1 LEU 75 4.244 -0.594 -8.043 528 HD12 LEU 75 2HD1 LEU 75 4.605 -2.050 -8.968 529 HD13 LEU 75 3HD1 LEU 75 3.682 -0.742 -9.708 530 HD21 LEU 75 3HD2 LEU 75 4.884 0.921 -10.991 531 HD22 LEU 75 1HD2 LEU 75 5.304 -0.690 -11.573 532 HD23 LEU 75 2HD2 LEU 75 6.570 0.509 -11.308 533 H ARG 76 H ARG 76 8.629 1.063 -6.592 534 HA ARG 76 HA ARG 76 7.925 3.503 -5.352 535 HB2 ARG 76 1HB ARG 76 8.481 1.402 -4.137 536 HB3 ARG 76 2HB ARG 76 10.163 1.615 -4.602 537 HG2 ARG 76 1HG ARG 76 8.799 3.834 -3.170 538 HG3 ARG 76 2HG ARG 76 9.278 2.401 -2.258 539 HD2 ARG 76 1HD ARG 76 11.121 4.028 -4.005 540 HD3 ARG 76 2HD ARG 76 10.989 4.196 -2.255 541 HE ARG 76 HE ARG 76 12.457 2.218 -3.663 542 HH11 ARG 76 1HH1 ARG 76 10.527 2.717 -0.808 543 HH12 ARG 76 2HH1 ARG 76 11.302 1.458 0.095 544 HH21 ARG 76 1HH2 ARG 76 13.485 0.557 -2.484 545 HH22 ARG 76 2HH2 ARG 76 12.985 0.230 -0.859 546 H ARG 77 H ARG 77 10.925 2.374 -6.872 547 HA ARG 77 HA ARG 77 12.438 4.695 -6.308 548 HB2 ARG 77 1HB ARG 77 14.122 3.702 -7.498 549 HB3 ARG 77 2HB ARG 77 13.125 2.288 -7.180 550 HG2 ARG 77 1HG ARG 77 12.032 2.772 -9.438 551 HG3 ARG 77 2HG ARG 77 13.400 3.851 -9.721 552 HD2 ARG 77 1HD ARG 77 14.912 1.920 -9.220 553 HD3 ARG 77 2HD ARG 77 13.483 0.888 -9.182 554 HE ARG 77 HE ARG 77 13.412 0.959 -11.471 555 HH11 ARG 77 1HH1 ARG 77 15.540 3.457 -10.310 556 HH12 ARG 77 2HH1 ARG 77 16.130 3.868 -11.886 557 HH21 ARG 77 1HH2 ARG 77 14.182 1.490 -13.552 558 HH22 ARG 77 2HH2 ARG 77 15.356 2.749 -13.729 559 H LYS 78 H LYS 78 10.452 3.733 -9.068 560 HA LYS 78 HA LYS 78 11.095 5.769 -10.842 561 HB2 LYS 78 1HB LYS 78 8.448 4.378 -10.400 562 HB3 LYS 78 2HB LYS 78 8.805 5.406 -11.782 563 HG2 LYS 78 1HG LYS 78 10.796 3.807 -12.164 564 HG3 LYS 78 2HG LYS 78 9.910 2.714 -11.099 565 HD2 LYS 78 1HD LYS 78 8.190 2.431 -12.597 566 HD3 LYS 78 2HD LYS 78 8.462 3.995 -13.368 567 HE2 LYS 78 1HE LYS 78 10.239 3.196 -14.641 568 HE3 LYS 78 2HE LYS 78 10.502 1.812 -13.580 569 HZ1 LYS 78 3HZ LYS 78 9.404 0.728 -15.192 570 HZ2 LYS 78 1HZ LYS 78 8.661 2.122 -15.796 571 HZ3 LYS 78 2HZ LYS 78 8.020 1.342 -14.439 572 H TYR 79 H TYR 79 8.346 5.711 -8.566 573 HA TYR 79 HA TYR 79 7.419 8.279 -8.999 574 HB2 TYR 79 1HB TYR 79 6.409 6.414 -7.554 575 HB3 TYR 79 2HB TYR 79 7.447 7.012 -6.265 576 HD1 TYR 79 1HD TYR 79 5.202 8.570 -8.826 577 HD2 TYR 79 2HD TYR 79 6.333 8.314 -4.733 578 HE1 TYR 79 1HE TYR 79 3.511 10.263 -8.260 579 HE2 TYR 79 2HE TYR 79 4.644 10.006 -4.154 580 HH TYR 79 HH TYR 79 2.252 11.059 -6.400 581 H ASP 80 H ASP 80 9.935 7.180 -6.761 582 HA ASP 80 HA ASP 80 10.443 9.489 -5.362 583 HB2 ASP 80 1HB ASP 80 12.129 7.192 -6.235 584 HB3 ASP 80 2HB ASP 80 12.946 8.606 -5.576 585 H ARG 81 H ARG 81 11.473 8.647 -8.625 586 HA ARG 81 HA ARG 81 12.792 11.253 -8.887 587 HB2 ARG 81 1HB ARG 81 12.827 9.184 -11.046 588 HB3 ARG 81 2HB ARG 81 14.047 10.379 -10.626 589 HG2 ARG 81 1HG ARG 81 13.389 7.908 -9.035 590 HG3 ARG 81 2HG ARG 81 14.780 8.115 -10.101 591 HD2 ARG 81 1HD ARG 81 14.356 10.123 -7.953 592 HD3 ARG 81 2HD ARG 81 14.933 8.524 -7.485 593 HE ARG 81 HE ARG 81 16.945 8.959 -8.540 594 HH11 ARG 81 1HH1 ARG 81 14.646 11.486 -9.211 595 HH12 ARG 81 2HH1 ARG 81 15.827 12.561 -9.881 596 HH21 ARG 81 1HH2 ARG 81 18.510 10.366 -9.420 597 HH22 ARG 81 2HH2 ARG 81 18.024 11.923 -10.000 598 H GLY 82 H GLY 82 9.823 9.891 -9.393 599 HA2 GLY 82 1HA GLY 82 7.960 10.923 -10.344 600 HA3 GLY 82 2HA GLY 82 9.031 12.068 -11.138 601 H LEU 83 H LEU 83 10.002 8.853 -11.555 602 HA LEU 83 HA LEU 83 9.467 8.956 -14.363 603 HB2 LEU 83 1HB LEU 83 10.463 6.668 -12.672 604 HB3 LEU 83 2HB LEU 83 10.508 6.748 -14.432 605 HG LEU 83 HG LEU 83 11.913 8.866 -12.878 606 HD11 LEU 83 1HD1 LEU 83 12.647 5.991 -12.944 607 HD12 LEU 83 2HD1 LEU 83 12.927 7.205 -11.697 608 HD13 LEU 83 3HD1 LEU 83 13.934 7.181 -13.144 609 HD21 LEU 83 3HD2 LEU 83 11.844 9.086 -15.264 610 HD22 LEU 83 1HD2 LEU 83 12.399 7.426 -15.481 611 HD23 LEU 83 2HD2 LEU 83 13.484 8.636 -14.795 612 H LEU 84 H LEU 84 7.637 8.030 -11.701 613 HA LEU 84 HA LEU 84 6.116 5.972 -13.064 614 HB2 LEU 84 1HB LEU 84 6.595 5.887 -10.627 615 HB3 LEU 84 2HB LEU 84 5.577 7.310 -10.417 616 HG LEU 84 HG LEU 84 3.789 5.742 -11.594 617 HD11 LEU 84 1HD1 LEU 84 5.521 3.928 -11.842 618 HD12 LEU 84 2HD1 LEU 84 4.013 3.450 -11.062 619 HD13 LEU 84 3HD1 LEU 84 5.454 3.741 -10.089 620 HD21 LEU 84 3HD2 LEU 84 3.667 6.823 -9.357 621 HD22 LEU 84 1HD2 LEU 84 4.520 5.432 -8.686 622 HD23 LEU 84 2HD2 LEU 84 2.928 5.222 -9.417 623 H SER 85 H SER 85 4.313 6.285 -14.200 624 HA SER 85 HA SER 85 3.181 8.992 -14.268 625 HB2 SER 85 1HB SER 85 2.963 6.699 -16.231 626 HB3 SER 85 2HB SER 85 2.140 8.248 -16.415 627 HG SER 85 HG SER 85 4.847 7.621 -16.670 628 H ASP 86 H ASP 86 0.983 9.363 -14.036 629 HA ASP 86 HA ASP 86 -0.421 8.001 -12.132 630 HB2 ASP 86 1HB ASP 86 -2.499 9.021 -13.213 631 HB3 ASP 86 2HB ASP 86 -1.218 10.139 -12.753 632 H GLU 87 H GLU 87 -0.028 7.154 -15.464 633 HA GLU 87 HA GLU 87 -2.195 5.572 -16.019 634 HB2 GLU 87 1HB GLU 87 0.711 5.195 -16.727 635 HB3 GLU 87 2HB GLU 87 -0.555 4.150 -17.357 636 HG2 GLU 87 1HG GLU 87 -1.663 6.152 -18.309 637 HG3 GLU 87 2HG GLU 87 -0.287 7.117 -17.778 638 H ASP 88 H ASP 88 0.476 4.894 -13.872 639 HA ASP 88 HA ASP 88 0.055 2.119 -13.569 640 HB2 ASP 88 1HB ASP 88 2.124 3.301 -12.871 641 HB3 ASP 88 2HB ASP 88 1.223 4.058 -11.561 642 H LEU 89 H LEU 89 -1.217 4.929 -11.842 643 HA LEU 89 HA LEU 89 -2.506 3.627 -9.751 644 HB2 LEU 89 1HB LEU 89 -3.279 6.130 -11.237 645 HB3 LEU 89 2HB LEU 89 -4.035 5.599 -9.736 646 HG LEU 89 HG LEU 89 -1.080 6.043 -9.831 647 HD11 LEU 89 1HD1 LEU 89 -1.206 8.315 -9.653 648 HD12 LEU 89 2HD1 LEU 89 -2.863 8.290 -9.051 649 HD13 LEU 89 3HD1 LEU 89 -2.544 8.025 -10.765 650 HD21 LEU 89 3HD2 LEU 89 -3.029 6.611 -7.619 651 HD22 LEU 89 1HD2 LEU 89 -1.288 6.345 -7.517 652 HD23 LEU 89 2HD2 LEU 89 -2.366 4.999 -7.889 653 H ARG 90 H ARG 90 -4.022 4.763 -12.778 654 HA ARG 90 HA ARG 90 -6.463 3.448 -12.386 655 HB2 ARG 90 1HB ARG 90 -6.830 3.808 -14.798 656 HB3 ARG 90 2HB ARG 90 -6.227 5.252 -13.996 657 HG2 ARG 90 1HG ARG 90 -4.911 5.279 -15.843 658 HG3 ARG 90 2HG ARG 90 -3.900 4.282 -14.795 659 HD2 ARG 90 1HD ARG 90 -3.921 3.032 -16.728 660 HD3 ARG 90 2HD ARG 90 -5.261 2.314 -15.834 661 HE ARG 90 HE ARG 90 -6.033 4.457 -17.595 662 HH11 ARG 90 1HH1 ARG 90 -5.459 1.036 -17.301 663 HH12 ARG 90 2HH1 ARG 90 -6.474 0.618 -18.642 664 HH21 ARG 90 1HH2 ARG 90 -7.373 3.919 -19.362 665 HH22 ARG 90 2HH2 ARG 90 -7.562 2.259 -19.813 666 H GLY 91 H GLY 91 -3.477 2.401 -13.948 667 HA2 GLY 91 1HA GLY 91 -3.534 -0.233 -13.439 668 HA3 GLY 91 2HA GLY 91 -4.654 -0.115 -14.788 669 HA PRO 92 HA PRO 92 0.001 -0.030 -16.042 670 HB2 PRO 92 1HB PRO 92 0.561 -2.680 -16.229 671 HB3 PRO 92 2HB PRO 92 0.858 -1.736 -14.764 672 HG2 PRO 92 1HG PRO 92 -1.432 -3.550 -15.417 673 HG3 PRO 92 2HG PRO 92 -0.521 -3.398 -13.903 674 HD2 PRO 92 1HD PRO 92 -2.948 -2.253 -14.264 675 HD3 PRO 92 2HD PRO 92 -1.693 -1.528 -13.239 676 H GLY 93 H GLY 93 -2.766 -1.993 -16.908 677 HA2 GLY 93 1HA GLY 93 -3.502 -1.476 -19.272 678 HA3 GLY 93 2HA GLY 93 -1.872 -1.954 -19.723 679 H SER 94 H SER 94 -3.789 -3.540 -17.245 680 HA SER 94 HA SER 94 -3.492 -6.061 -18.634 681 HB2 SER 94 1HB SER 94 -4.109 -7.094 -16.626 682 HB3 SER 94 2HB SER 94 -3.279 -5.637 -16.080 683 HG SER 94 HG SER 94 -5.075 -5.401 -14.985 684 H GLY 95 H GLY 95 -4.889 -6.654 -20.150 685 HA2 GLY 95 1HA GLY 95 -7.634 -5.623 -20.051 686 HA3 GLY 95 2HA GLY 95 -6.851 -6.337 -21.453 687 HA PRO 96 HA PRO 96 -9.621 -9.419 -19.142 688 HB2 PRO 96 1HB PRO 96 -11.607 -9.576 -20.987 689 HB3 PRO 96 2HB PRO 96 -11.628 -8.422 -19.649 690 HG2 PRO 96 1HG PRO 96 -10.845 -7.995 -22.507 691 HG3 PRO 96 2HG PRO 96 -11.822 -6.961 -21.448 692 HD2 PRO 96 1HD PRO 96 -9.209 -6.468 -21.957 693 HD3 PRO 96 2HD PRO 96 -9.972 -6.064 -20.406 694 H SER 97 H SER 97 -7.749 -9.134 -21.835 695 HA SER 97 HA SER 97 -8.386 -11.767 -22.931 696 HB2 SER 97 1HB SER 97 -6.680 -9.474 -23.867 697 HB3 SER 97 2HB SER 97 -6.493 -11.081 -24.570 698 HG SER 97 HG SER 97 -8.120 -9.405 -25.451 699 H SER 98 H SER 98 -5.530 -10.001 -21.737 700 HA SER 98 HA SER 98 -4.324 -12.602 -21.056 701 HB2 SER 98 1HB SER 98 -3.147 -11.159 -22.794 702 HB3 SER 98 2HB SER 98 -2.809 -10.024 -21.487 703 HG SER 98 HG SER 98 -1.075 -11.316 -21.471 704 H GLY 99 H GLY 99 -5.056 -12.835 -18.977 705 HA2 GLY 99 1HA GLY 99 -3.869 -11.003 -17.026 706 HA3 GLY 99 2HA GLY 99 -5.608 -11.246 -16.959
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