NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
275489 | 2kmp | 16438 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -19.448 3.008 8.676 2 H2 LYS 1 H2 LYS 1 -18.645 3.010 7.259 3 H3 LYS 1 H3 LYS 1 -18.797 4.398 8.116 4 HA LYS 1 HA LYS 1 -21.030 2.921 6.852 5 HB2 LYS 1 HB2 LYS 1 -21.012 5.524 8.434 6 HB3 LYS 1 HB3 LYS 1 -22.357 5.011 7.427 7 HG2 LYS 1 HG2 LYS 1 -21.331 3.434 9.831 8 HG3 LYS 1 HG3 LYS 1 -22.660 4.589 9.841 9 HD2 LYS 1 HD2 LYS 1 -23.820 3.162 8.063 10 HD3 LYS 1 HD3 LYS 1 -22.545 1.962 8.303 11 HE2 LYS 1 HE2 LYS 1 -24.377 1.254 9.635 12 HE3 LYS 1 HE3 LYS 1 -23.160 1.873 10.752 13 HZ1 LYS 1 HZ1 LYS 1 -25.560 3.376 9.828 14 HZ2 LYS 1 HZ2 LYS 1 -24.452 3.947 10.888 15 HZ3 LYS 1 HZ3 LYS 1 -25.396 2.681 11.293 16 H LYS 2 H LYS 2 -19.938 2.890 4.818 17 HA LYS 2 HA LYS 2 -20.362 5.344 3.236 18 HB2 LYS 2 HB2 LYS 2 -17.710 3.813 3.201 19 HB3 LYS 2 HB3 LYS 2 -18.206 5.017 2.013 20 HG2 LYS 2 HG2 LYS 2 -18.338 6.729 3.866 21 HG3 LYS 2 HG3 LYS 2 -17.692 5.511 4.969 22 HD2 LYS 2 HD2 LYS 2 -15.846 6.853 4.325 23 HD3 LYS 2 HD3 LYS 2 -15.662 5.298 3.529 24 HE2 LYS 2 HE2 LYS 2 -15.052 7.012 1.965 25 HE3 LYS 2 HE3 LYS 2 -16.564 6.299 1.410 26 HZ1 LYS 2 HZ1 LYS 2 -16.316 8.869 2.890 27 HZ2 LYS 2 HZ2 LYS 2 -17.729 8.231 2.380 28 HZ3 LYS 2 HZ3 LYS 2 -16.621 8.728 1.297 29 H VAL 3 H VAL 3 -20.571 4.889 0.949 30 HA VAL 3 HA VAL 3 -21.723 2.304 0.294 31 HB VAL 3 HB VAL 3 -21.925 3.283 -1.969 32 HG11 VAL 3 HG11 VAL 3 -22.986 5.074 0.247 33 HG12 VAL 3 HG12 VAL 3 -23.638 4.919 -1.397 34 HG13 VAL 3 HG13 VAL 3 -23.709 3.540 -0.288 35 HG21 VAL 3 HG21 VAL 3 -20.792 5.850 -0.781 36 HG22 VAL 3 HG22 VAL 3 -19.992 4.833 -2.005 37 HG23 VAL 3 HG23 VAL 3 -21.511 5.644 -2.385 38 H CYS 4 H CYS 4 -18.583 3.747 -0.104 39 HA CYS 4 HA CYS 4 -17.563 1.668 -1.932 40 HB2 CYS 4 HB2 CYS 4 -16.140 3.871 -0.382 41 HB3 CYS 4 HB3 CYS 4 -15.415 2.844 -1.613 42 H ALA 5 H ALA 5 -15.981 0.140 -1.385 43 HA ALA 5 HA ALA 5 -15.111 -0.222 1.406 44 HB1 ALA 5 HB1 ALA 5 -15.762 -2.615 1.400 45 HB2 ALA 5 HB2 ALA 5 -17.183 -1.559 1.284 46 HB3 ALA 5 HB3 ALA 5 -16.578 -2.396 -0.164 47 H CYS 6 H CYS 6 -12.963 -0.794 1.454 48 HA CYS 6 HA CYS 6 -11.418 -1.201 -0.887 49 HB2 CYS 6 HB2 CYS 6 -11.032 -1.458 2.120 50 HB3 CYS 6 HB3 CYS 6 -9.767 -1.892 1.009 51 HA PRO 7 HA PRO 7 -11.792 -5.590 -1.377 52 HB2 PRO 7 HB2 PRO 7 -9.440 -6.280 -2.576 53 HB3 PRO 7 HB3 PRO 7 -10.656 -5.233 -3.368 54 HG2 PRO 7 HG2 PRO 7 -8.141 -4.403 -1.908 55 HG3 PRO 7 HG3 PRO 7 -8.753 -3.816 -3.486 56 HD2 PRO 7 HD2 PRO 7 -9.162 -2.520 -1.076 57 HD3 PRO 7 HD3 PRO 7 -10.304 -2.378 -2.437 58 H LYS 8 H LYS 8 -11.206 -7.587 -0.513 59 HA LYS 8 HA LYS 8 -9.492 -7.607 1.897 60 HB2 LYS 8 HB2 LYS 8 -10.903 -9.540 2.506 61 HB3 LYS 8 HB3 LYS 8 -11.810 -8.050 2.293 62 HG2 LYS 8 HG2 LYS 8 -12.610 -8.813 0.094 63 HG3 LYS 8 HG3 LYS 8 -11.637 -10.290 0.222 64 HD2 LYS 8 HD2 LYS 8 -12.920 -11.022 2.164 65 HD3 LYS 8 HD3 LYS 8 -13.838 -9.514 2.201 66 HE2 LYS 8 HE2 LYS 8 -13.853 -11.455 -0.157 67 HE3 LYS 8 HE3 LYS 8 -15.000 -11.542 1.180 68 HZ1 LYS 8 HZ1 LYS 8 -14.709 -9.212 -0.640 69 HZ2 LYS 8 HZ2 LYS 8 -15.742 -9.289 0.627 70 HZ3 LYS 8 HZ3 LYS 8 -15.936 -10.283 -0.648 71 H ILE 9 H ILE 9 -8.886 -8.229 -1.099 72 HA ILE 9 HA ILE 9 -7.796 -10.929 -1.110 73 HB ILE 9 HB ILE 9 -6.929 -8.745 -3.010 74 HG12 ILE 9 HG12 ILE 9 -9.468 -10.425 -3.337 75 HG13 ILE 9 HG13 ILE 9 -9.462 -8.713 -2.925 76 HG21 ILE 9 HG21 ILE 9 -5.769 -10.954 -3.127 77 HG22 ILE 9 HG22 ILE 9 -7.335 -11.748 -3.387 78 HG23 ILE 9 HG23 ILE 9 -6.668 -10.626 -4.589 79 HD11 ILE 9 HD11 ILE 9 -8.296 -8.201 -5.076 80 HD12 ILE 9 HD12 ILE 9 -8.561 -9.898 -5.557 81 HD13 ILE 9 HD13 ILE 9 -9.942 -8.844 -5.228 82 H LEU 10 H LEU 10 -5.755 -11.554 -0.958 83 HA LEU 10 HA LEU 10 -3.921 -10.035 0.772 84 HB2 LEU 10 HB2 LEU 10 -4.674 -12.508 0.951 85 HB3 LEU 10 HB3 LEU 10 -3.498 -12.855 -0.303 86 HG LEU 10 HG LEU 10 -2.894 -11.493 2.365 87 HD11 LEU 10 HD11 LEU 10 -1.992 -13.674 3.084 88 HD12 LEU 10 HD12 LEU 10 -2.509 -14.404 1.546 89 HD13 LEU 10 HD13 LEU 10 -3.716 -13.792 2.701 90 HD21 LEU 10 HD21 LEU 10 -1.121 -11.037 0.730 91 HD22 LEU 10 HD22 LEU 10 -1.014 -12.760 0.320 92 HD23 LEU 10 HD23 LEU 10 -0.536 -12.182 1.934 93 H LYS 11 H LYS 11 -3.574 -8.364 -0.913 94 HA LYS 11 HA LYS 11 -1.237 -9.028 -2.660 95 HB2 LYS 11 HB2 LYS 11 -3.737 -7.469 -3.439 96 HB3 LYS 11 HB3 LYS 11 -2.200 -7.383 -4.307 97 HG2 LYS 11 HG2 LYS 11 -2.281 -9.803 -4.776 98 HG3 LYS 11 HG3 LYS 11 -3.812 -9.917 -3.906 99 HD2 LYS 11 HD2 LYS 11 -4.304 -9.895 -6.220 100 HD3 LYS 11 HD3 LYS 11 -4.866 -8.363 -5.571 101 HE2 LYS 11 HE2 LYS 11 -2.110 -8.604 -6.850 102 HE3 LYS 11 HE3 LYS 11 -3.547 -8.526 -7.867 103 HZ1 LYS 11 HZ1 LYS 11 -2.634 -6.327 -7.533 104 HZ2 LYS 11 HZ2 LYS 11 -2.780 -6.427 -5.914 105 HZ3 LYS 11 HZ3 LYS 11 -4.116 -6.398 -6.861 106 HA PRO 12 HA PRO 12 -0.543 -5.421 0.176 107 HB2 PRO 12 HB2 PRO 12 1.858 -6.205 1.274 108 HB3 PRO 12 HB3 PRO 12 0.258 -6.702 1.899 109 HG2 PRO 12 HG2 PRO 12 2.109 -8.241 0.081 110 HG3 PRO 12 HG3 PRO 12 1.199 -8.815 1.523 111 HD2 PRO 12 HD2 PRO 12 0.307 -9.215 -1.036 112 HD3 PRO 12 HD3 PRO 12 -0.818 -8.920 0.322 113 H VAL 13 H VAL 13 1.249 -3.904 0.264 114 HA VAL 13 HA VAL 13 2.950 -3.715 -2.170 115 HB VAL 13 HB VAL 13 2.146 -1.447 -2.639 116 HG11 VAL 13 HG11 VAL 13 0.121 -1.985 -3.779 117 HG12 VAL 13 HG12 VAL 13 1.138 -3.429 -3.821 118 HG13 VAL 13 HG13 VAL 13 -0.227 -3.345 -2.693 119 HG21 VAL 13 HG21 VAL 13 -0.018 -1.981 -0.553 120 HG22 VAL 13 HG22 VAL 13 1.245 -0.730 -0.491 121 HG23 VAL 13 HG23 VAL 13 -0.022 -0.647 -1.712 122 H CYS 14 H CYS 14 4.618 -2.197 -2.012 123 HA CYS 14 HA CYS 14 5.300 -1.254 0.740 124 HB2 CYS 14 HB2 CYS 14 7.038 -2.476 -0.745 125 HB3 CYS 14 HB3 CYS 14 7.029 -1.030 -1.748 126 H GLY 15 H GLY 15 4.605 0.791 1.219 127 HA2 GLY 15 HA2 GLY 15 3.748 2.725 -0.859 128 HA3 GLY 15 HA3 GLY 15 3.759 2.985 0.876 129 H SER 16 H SER 16 4.664 4.998 -0.900 130 HA SER 16 HA SER 16 7.515 4.896 -1.265 131 HB2 SER 16 HB2 SER 16 7.418 7.177 -1.910 132 HB3 SER 16 HB3 SER 16 6.003 6.345 -2.573 133 HG SER 16 HG SER 16 5.488 8.380 -1.625 134 H ASP 17 H ASP 17 5.749 5.557 1.593 135 HA ASP 17 HA ASP 17 7.936 6.799 3.101 136 HB2 ASP 17 HB2 ASP 17 5.198 5.718 3.689 137 HB3 ASP 17 HB3 ASP 17 6.344 5.689 5.014 138 H GLY 18 H GLY 18 7.593 3.650 1.880 139 HA2 GLY 18 HA2 GLY 18 9.066 1.876 2.086 140 HA3 GLY 18 HA3 GLY 18 9.816 2.616 3.496 141 H ARG 19 H ARG 19 6.566 2.641 4.128 142 HA ARG 19 HA ARG 19 6.527 0.228 5.812 143 HB2 ARG 19 HB2 ARG 19 4.893 2.664 5.437 144 HB3 ARG 19 HB3 ARG 19 3.881 1.250 5.510 145 HG2 ARG 19 HG2 ARG 19 5.962 1.951 7.624 146 HG3 ARG 19 HG3 ARG 19 4.249 2.384 7.697 147 HD2 ARG 19 HD2 ARG 19 3.670 -0.066 7.517 148 HD3 ARG 19 HD3 ARG 19 5.384 -0.449 7.690 149 HE ARG 19 HE ARG 19 3.516 0.489 9.754 150 HH11 ARG 19 HH11 ARG 19 6.936 0.087 9.099 151 HH12 ARG 19 HH12 ARG 19 7.337 0.055 10.794 152 HH21 ARG 19 HH21 ARG 19 4.094 0.443 11.872 153 HH22 ARG 19 HH22 ARG 19 5.765 0.258 12.317 154 H THR 20 H THR 20 4.926 -1.375 5.619 155 HA THR 20 HA THR 20 3.892 -1.946 2.870 156 HB THR 20 HB THR 20 4.777 -3.957 4.970 157 HG1 THR 20 HG1 THR 20 6.436 -3.082 3.722 158 HG21 THR 20 HG21 THR 20 3.531 -4.449 2.227 159 HG22 THR 20 HG22 THR 20 2.772 -4.821 3.794 160 HG23 THR 20 HG23 THR 20 4.226 -5.680 3.304 161 H TYR 21 H TYR 21 1.771 -2.082 2.680 162 HA TYR 21 HA TYR 21 0.052 -2.394 5.092 163 HB2 TYR 21 HB2 TYR 21 -0.692 -0.930 2.557 164 HB3 TYR 21 HB3 TYR 21 -1.504 -0.940 4.121 165 HD1 TYR 21 HD2 TYR 21 1.340 0.453 2.203 166 HD2 TYR 21 HD1 TYR 21 -0.840 0.538 5.929 167 HE1 TYR 21 HE2 TYR 21 2.457 2.599 2.820 168 HE2 TYR 21 HE1 TYR 21 0.274 2.679 6.531 169 HH TYR 21 HH TYR 21 1.764 4.296 5.889 170 H ALA 22 H ALA 22 -2.200 -3.281 4.374 171 HA ALA 22 HA ALA 22 -1.535 -5.942 3.479 172 HB1 ALA 22 HB1 ALA 22 -4.245 -4.675 4.105 173 HB2 ALA 22 HB2 ALA 22 -3.899 -6.412 4.008 174 HB3 ALA 22 HB3 ALA 22 -3.151 -5.437 5.287 175 H ASN 23 H ASN 23 -2.860 -3.225 1.749 176 HA ASN 23 HA ASN 23 -2.654 -4.485 -0.787 177 HB2 ASN 23 HB2 ASN 23 -5.130 -3.995 -1.376 178 HB3 ASN 23 HB3 ASN 23 -4.695 -5.528 -0.632 179 HD21 ASN 23 HD21 ASN 23 -6.864 -2.914 -0.407 180 HD22 ASN 23 HD22 ASN 23 -7.444 -3.367 1.200 181 H SER 24 H SER 24 -3.646 -2.935 -2.534 182 HA SER 24 HA SER 24 -2.304 -0.533 -2.148 183 HB2 SER 24 HB2 SER 24 -4.386 -1.094 -4.297 184 HB3 SER 24 HB3 SER 24 -3.192 0.217 -4.325 185 HG SER 24 HG SER 24 -2.795 -2.559 -4.627 186 H CYS 25 H CYS 25 -5.709 -1.139 -1.803 187 HA CYS 25 HA CYS 25 -6.793 1.460 -1.700 188 HB2 CYS 25 HB2 CYS 25 -7.841 -0.872 -1.729 189 HB3 CYS 25 HB3 CYS 25 -7.772 -0.820 0.019 190 H ILE 26 H ILE 26 -5.605 -0.514 0.860 191 HA ILE 26 HA ILE 26 -6.134 1.397 3.011 192 HB ILE 26 HB ILE 26 -6.002 -1.023 3.439 193 HG12 ILE 26 HG12 ILE 26 -4.739 -1.022 5.569 194 HG13 ILE 26 HG13 ILE 26 -4.020 0.529 5.137 195 HG21 ILE 26 HG21 ILE 26 -3.134 -0.952 2.778 196 HG22 ILE 26 HG22 ILE 26 -3.890 -2.196 3.803 197 HG23 ILE 26 HG23 ILE 26 -4.456 -1.955 2.156 198 HD11 ILE 26 HD11 ILE 26 -5.963 0.713 6.706 199 HD12 ILE 26 HD12 ILE 26 -6.266 1.585 5.197 200 HD13 ILE 26 HD13 ILE 26 -7.015 -0.006 5.473 201 H ALA 27 H ALA 27 -3.300 0.492 1.322 202 HA ALA 27 HA ALA 27 -1.401 2.362 2.355 203 HB1 ALA 27 HB1 ALA 27 -1.608 1.495 -0.560 204 HB2 ALA 27 HB2 ALA 27 -0.181 2.143 0.267 205 HB3 ALA 27 HB3 ALA 27 -0.838 0.565 0.737 206 H ARG 28 H ARG 28 -3.564 2.962 -0.490 207 HA ARG 28 HA ARG 28 -2.971 5.771 -0.627 208 HB2 ARG 28 HB2 ARG 28 -4.841 6.007 -2.114 209 HB3 ARG 28 HB3 ARG 28 -3.870 4.591 -2.529 210 HG2 ARG 28 HG2 ARG 28 -5.537 3.122 -1.480 211 HG3 ARG 28 HG3 ARG 28 -6.494 4.495 -0.958 212 HD2 ARG 28 HD2 ARG 28 -7.519 3.569 -2.929 213 HD3 ARG 28 HD3 ARG 28 -6.847 5.160 -3.323 214 HE ARG 28 HE ARG 28 -4.941 3.074 -3.924 215 HH11 ARG 28 HH11 ARG 28 -7.871 4.457 -5.236 216 HH12 ARG 28 HH12 ARG 28 -7.459 4.026 -6.873 217 HH21 ARG 28 HH21 ARG 28 -4.455 2.567 -6.043 218 HH22 ARG 28 HH22 ARG 28 -5.582 2.973 -7.300 219 H CYS 29 H CYS 29 -5.460 4.145 1.277 220 HA CYS 29 HA CYS 29 -6.823 6.477 2.135 221 HB2 CYS 29 HB2 CYS 29 -6.411 3.762 3.397 222 HB3 CYS 29 HB3 CYS 29 -7.335 5.023 4.201 223 H ASN 30 H ASN 30 -3.593 5.443 3.113 224 HA ASN 30 HA ASN 30 -3.472 7.268 5.409 225 HB2 ASN 30 HB2 ASN 30 -1.590 5.345 3.999 226 HB3 ASN 30 HB3 ASN 30 -0.964 6.577 5.056 227 HD21 ASN 30 HD21 ASN 30 -3.043 3.658 4.971 228 HD22 ASN 30 HD22 ASN 30 -2.967 3.463 6.724 229 H GLY 31 H GLY 31 -3.593 7.853 2.113 230 HA2 GLY 31 HA2 GLY 31 -3.397 9.920 1.075 231 HA3 GLY 31 HA3 GLY 31 -2.435 10.539 2.410 232 H VAL 32 H VAL 32 -1.392 7.517 1.030 233 HA VAL 32 HA VAL 32 0.850 8.862 -0.440 234 HB VAL 32 HB VAL 32 1.337 6.337 1.090 235 HG11 VAL 32 HG11 VAL 32 3.622 7.275 1.237 236 HG12 VAL 32 HG12 VAL 32 3.066 7.132 -0.426 237 HG13 VAL 32 HG13 VAL 32 3.076 8.723 0.369 238 HG21 VAL 32 HG21 VAL 32 2.185 7.643 3.047 239 HG22 VAL 32 HG22 VAL 32 1.466 9.113 2.357 240 HG23 VAL 32 HG23 VAL 32 0.437 7.760 2.887 241 H SER 33 H SER 33 1.822 7.678 -2.141 242 HA SER 33 HA SER 33 0.100 5.746 -3.510 243 HB2 SER 33 HB2 SER 33 2.071 6.096 -5.198 244 HB3 SER 33 HB3 SER 33 0.825 7.321 -5.005 245 HG SER 33 HG SER 33 2.946 8.217 -5.007 246 H ILE 34 H ILE 34 0.954 3.792 -4.425 247 HA ILE 34 HA ILE 34 2.749 2.299 -2.773 248 HB ILE 34 HB ILE 34 2.094 0.522 -4.000 249 HG12 ILE 34 HG12 ILE 34 0.459 0.859 -6.098 250 HG13 ILE 34 HG13 ILE 34 1.466 2.276 -6.341 251 HG21 ILE 34 HG21 ILE 34 0.318 1.535 -2.598 252 HG22 ILE 34 HG22 ILE 34 -0.407 2.213 -4.074 253 HG23 ILE 34 HG23 ILE 34 -0.284 0.462 -3.876 254 HD11 ILE 34 HD11 ILE 34 2.301 0.311 -7.593 255 HD12 ILE 34 HD12 ILE 34 3.488 0.739 -6.349 256 HD13 ILE 34 HD13 ILE 34 2.397 -0.636 -6.095 257 H LYS 35 H LYS 35 4.848 2.128 -2.991 258 HA LYS 35 HA LYS 35 6.350 3.385 -5.195 259 HB2 LYS 35 HB2 LYS 35 6.984 3.304 -2.677 260 HB3 LYS 35 HB3 LYS 35 7.435 1.630 -2.949 261 HG2 LYS 35 HG2 LYS 35 9.392 3.021 -3.040 262 HG3 LYS 35 HG3 LYS 35 9.098 2.390 -4.665 263 HD2 LYS 35 HD2 LYS 35 8.251 4.543 -5.423 264 HD3 LYS 35 HD3 LYS 35 8.122 5.137 -3.766 265 HE2 LYS 35 HE2 LYS 35 10.017 6.185 -4.775 266 HE3 LYS 35 HE3 LYS 35 10.587 5.073 -3.529 267 HZ1 LYS 35 HZ1 LYS 35 10.568 4.495 -6.450 268 HZ2 LYS 35 HZ2 LYS 35 11.135 3.482 -5.296 269 HZ3 LYS 35 HZ3 LYS 35 11.887 4.899 -5.582 270 H SER 36 H SER 36 5.586 0.136 -4.036 271 HA SER 36 HA SER 36 5.672 -0.938 -6.732 272 HB2 SER 36 HB2 SER 36 7.272 -2.806 -6.206 273 HB3 SER 36 HB3 SER 36 8.002 -1.220 -6.352 274 HG SER 36 HG SER 36 7.501 -2.734 -4.001 275 H GLU 37 H GLU 37 5.016 -3.208 -6.845 276 HA GLU 37 HA GLU 37 2.949 -3.936 -4.930 277 HB2 GLU 37 HB2 GLU 37 2.659 -5.852 -6.467 278 HB3 GLU 37 HB3 GLU 37 2.446 -4.285 -7.217 279 HG2 GLU 37 HG2 GLU 37 4.710 -4.467 -8.243 280 HG3 GLU 37 HG3 GLU 37 4.950 -6.021 -7.442 281 H GLY 38 H GLY 38 2.880 -5.819 -3.742 282 HA2 GLY 38 HA2 GLY 38 3.630 -7.627 -2.524 283 HA3 GLY 38 HA3 GLY 38 5.235 -7.502 -3.256 284 H SER 39 H SER 39 4.812 -7.882 -0.581 285 HA SER 39 HA SER 39 5.414 -5.544 1.058 286 HB2 SER 39 HB2 SER 39 4.813 -7.725 2.025 287 HB3 SER 39 HB3 SER 39 6.317 -8.427 1.377 288 HG SER 39 HG SER 39 6.512 -7.819 3.579 289 H CYS 40 H CYS 40 7.406 -4.775 1.708 290 HA CYS 40 HA CYS 40 9.544 -5.106 -0.329 291 HB2 CYS 40 HB2 CYS 40 10.410 -2.889 0.626 292 HB3 CYS 40 HB3 CYS 40 9.056 -2.993 -0.469 293 HA PRO 41 HA PRO 41 12.458 -6.875 2.410 294 HB2 PRO 41 HB2 PRO 41 14.855 -6.054 1.353 295 HB3 PRO 41 HB3 PRO 41 13.755 -7.229 0.578 296 HG2 PRO 41 HG2 PRO 41 13.999 -4.249 0.029 297 HG3 PRO 41 HG3 PRO 41 13.953 -5.589 -1.161 298 HD2 PRO 41 HD2 PRO 41 11.708 -4.138 -0.537 299 HD3 PRO 41 HD3 PRO 41 11.624 -5.882 -0.869 300 H THR 42 H THR 42 12.805 -6.354 4.425 301 HA THR 42 HA THR 42 13.109 -3.671 5.413 302 HB THR 42 HB THR 42 13.772 -6.098 7.087 303 HG1 THR 42 HG1 THR 42 11.167 -5.284 6.307 304 HG21 THR 42 HG21 THR 42 13.780 -3.902 8.232 305 HG22 THR 42 HG22 THR 42 12.433 -4.894 8.797 306 HG23 THR 42 HG23 THR 42 12.136 -3.575 7.644 307 H GLY 43 H GLY 43 15.381 -5.735 4.179 308 HA2 GLY 43 HA2 GLY 43 17.720 -5.028 5.800 309 HA3 GLY 43 HA3 GLY 43 17.706 -6.026 4.353 310 H ILE 44 H ILE 44 16.189 -3.157 3.555 311 HA ILE 44 HA ILE 44 18.684 -1.818 2.578 312 HB ILE 44 HB ILE 44 16.083 -2.087 1.026 313 HG12 ILE 44 HG12 ILE 44 18.775 -3.474 0.583 314 HG13 ILE 44 HG13 ILE 44 17.288 -4.257 1.122 315 HG21 ILE 44 HG21 ILE 44 18.809 -0.925 0.248 316 HG22 ILE 44 HG22 ILE 44 17.367 -0.993 -0.787 317 HG23 ILE 44 HG23 ILE 44 17.365 0.033 0.632 318 HD11 ILE 44 HD11 ILE 44 17.788 -3.060 -1.617 319 HD12 ILE 44 HD12 ILE 44 17.535 -4.755 -1.184 320 HD13 ILE 44 HD13 ILE 44 16.191 -3.604 -1.040 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -13.942 8.801 -8.379 2 H2 LYS 1 H2 LYS 1 -12.901 7.739 -9.051 3 H3 LYS 1 H3 LYS 1 -14.154 7.191 -8.171 4 HA LYS 1 HA LYS 1 -12.098 7.024 -6.888 5 HB2 LYS 1 HB2 LYS 1 -11.984 10.036 -7.339 6 HB3 LYS 1 HB3 LYS 1 -10.952 9.139 -6.217 7 HG2 LYS 1 HG2 LYS 1 -9.850 7.958 -7.999 8 HG3 LYS 1 HG3 LYS 1 -11.034 8.499 -9.183 9 HD2 LYS 1 HD2 LYS 1 -9.141 9.751 -9.623 10 HD3 LYS 1 HD3 LYS 1 -10.249 10.874 -8.864 11 HE2 LYS 1 HE2 LYS 1 -8.010 9.443 -7.351 12 HE3 LYS 1 HE3 LYS 1 -7.742 10.934 -8.248 13 HZ1 LYS 1 HZ1 LYS 1 -9.598 10.674 -5.946 14 HZ2 LYS 1 HZ2 LYS 1 -9.411 12.028 -6.848 15 HZ3 LYS 1 HZ3 LYS 1 -8.172 11.458 -5.961 16 H LYS 2 H LYS 2 -14.287 6.357 -5.934 17 HA LYS 2 HA LYS 2 -15.116 8.075 -3.628 18 HB2 LYS 2 HB2 LYS 2 -16.930 6.985 -5.824 19 HB3 LYS 2 HB3 LYS 2 -17.528 7.629 -4.307 20 HG2 LYS 2 HG2 LYS 2 -15.931 9.256 -6.315 21 HG3 LYS 2 HG3 LYS 2 -17.673 9.201 -6.241 22 HD2 LYS 2 HD2 LYS 2 -15.932 10.116 -3.908 23 HD3 LYS 2 HD3 LYS 2 -16.579 11.206 -5.119 24 HE2 LYS 2 HE2 LYS 2 -18.320 9.408 -3.371 25 HE3 LYS 2 HE3 LYS 2 -17.885 11.066 -2.957 26 HZ1 LYS 2 HZ1 LYS 2 -19.405 10.290 -5.388 27 HZ2 LYS 2 HZ2 LYS 2 -18.980 11.818 -4.992 28 HZ3 LYS 2 HZ3 LYS 2 -20.032 10.996 -4.059 29 H VAL 3 H VAL 3 -13.581 5.625 -3.707 30 HA VAL 3 HA VAL 3 -15.050 3.257 -3.225 31 HB VAL 3 HB VAL 3 -12.398 3.932 -1.945 32 HG11 VAL 3 HG11 VAL 3 -12.019 1.474 -2.071 33 HG12 VAL 3 HG12 VAL 3 -13.363 1.891 -1.015 34 HG13 VAL 3 HG13 VAL 3 -13.683 1.260 -2.651 35 HG21 VAL 3 HG21 VAL 3 -12.188 4.279 -4.378 36 HG22 VAL 3 HG22 VAL 3 -11.365 2.792 -3.913 37 HG23 VAL 3 HG23 VAL 3 -12.964 2.707 -4.684 38 H CYS 4 H CYS 4 -16.386 2.746 -1.753 39 HA CYS 4 HA CYS 4 -16.611 4.102 0.877 40 HB2 CYS 4 HB2 CYS 4 -18.312 1.931 -0.407 41 HB3 CYS 4 HB3 CYS 4 -18.668 2.760 1.105 42 H ALA 5 H ALA 5 -15.763 0.890 -0.375 43 HA ALA 5 HA ALA 5 -14.501 0.132 2.185 44 HB1 ALA 5 HB1 ALA 5 -16.658 -1.536 0.813 45 HB2 ALA 5 HB2 ALA 5 -15.653 -2.061 2.180 46 HB3 ALA 5 HB3 ALA 5 -16.798 -0.722 2.388 47 H CYS 6 H CYS 6 -12.434 -0.283 1.567 48 HA CYS 6 HA CYS 6 -11.582 -1.109 -1.002 49 HB2 CYS 6 HB2 CYS 6 -10.429 -0.841 1.790 50 HB3 CYS 6 HB3 CYS 6 -9.502 -1.626 0.553 51 HA PRO 7 HA PRO 7 -11.992 -5.514 -0.801 52 HB2 PRO 7 HB2 PRO 7 -9.977 -6.415 -2.390 53 HB3 PRO 7 HB3 PRO 7 -11.293 -5.396 -3.027 54 HG2 PRO 7 HG2 PRO 7 -8.512 -4.546 -2.176 55 HG3 PRO 7 HG3 PRO 7 -9.399 -4.105 -3.671 56 HD2 PRO 7 HD2 PRO 7 -9.295 -2.551 -1.399 57 HD3 PRO 7 HD3 PRO 7 -10.676 -2.488 -2.522 58 H LYS 8 H LYS 8 -10.862 -7.574 -0.288 59 HA LYS 8 HA LYS 8 -8.918 -7.279 1.953 60 HB2 LYS 8 HB2 LYS 8 -11.555 -8.017 2.097 61 HB3 LYS 8 HB3 LYS 8 -10.802 -9.602 1.893 62 HG2 LYS 8 HG2 LYS 8 -9.250 -8.991 3.814 63 HG3 LYS 8 HG3 LYS 8 -10.175 -7.487 3.998 64 HD2 LYS 8 HD2 LYS 8 -12.259 -8.917 4.301 65 HD3 LYS 8 HD3 LYS 8 -11.213 -10.339 4.356 66 HE2 LYS 8 HE2 LYS 8 -11.121 -7.944 6.252 67 HE3 LYS 8 HE3 LYS 8 -11.865 -9.502 6.607 68 HZ1 LYS 8 HZ1 LYS 8 -9.655 -9.393 7.553 69 HZ2 LYS 8 HZ2 LYS 8 -8.968 -9.068 6.111 70 HZ3 LYS 8 HZ3 LYS 8 -9.656 -10.529 6.383 71 H ILE 9 H ILE 9 -8.600 -8.133 -1.011 72 HA ILE 9 HA ILE 9 -7.660 -10.850 -1.047 73 HB ILE 9 HB ILE 9 -6.603 -8.725 -2.914 74 HG12 ILE 9 HG12 ILE 9 -9.280 -10.158 -3.295 75 HG13 ILE 9 HG13 ILE 9 -9.120 -8.472 -2.815 76 HG21 ILE 9 HG21 ILE 9 -7.239 -11.687 -3.288 77 HG22 ILE 9 HG22 ILE 9 -6.580 -10.620 -4.538 78 HG23 ILE 9 HG23 ILE 9 -5.615 -10.973 -3.128 79 HD11 ILE 9 HD11 ILE 9 -9.574 -8.444 -5.127 80 HD12 ILE 9 HD12 ILE 9 -7.868 -7.997 -4.938 81 HD13 ILE 9 HD13 ILE 9 -8.318 -9.631 -5.490 82 H LEU 10 H LEU 10 -5.659 -11.653 -0.925 83 HA LEU 10 HA LEU 10 -3.577 -10.319 0.689 84 HB2 LEU 10 HB2 LEU 10 -3.852 -13.093 -0.531 85 HB3 LEU 10 HB3 LEU 10 -2.404 -12.580 0.325 86 HG LEU 10 HG LEU 10 -5.150 -12.541 1.638 87 HD11 LEU 10 HD11 LEU 10 -4.472 -14.662 2.709 88 HD12 LEU 10 HD12 LEU 10 -3.005 -14.706 1.703 89 HD13 LEU 10 HD13 LEU 10 -4.612 -14.839 0.953 90 HD21 LEU 10 HD21 LEU 10 -3.800 -12.563 3.719 91 HD22 LEU 10 HD22 LEU 10 -3.422 -11.140 2.745 92 HD23 LEU 10 HD23 LEU 10 -2.305 -12.521 2.760 93 H LYS 11 H LYS 11 -3.411 -8.575 -0.997 94 HA LYS 11 HA LYS 11 -1.085 -9.176 -2.763 95 HB2 LYS 11 HB2 LYS 11 -3.735 -7.957 -3.576 96 HB3 LYS 11 HB3 LYS 11 -2.254 -7.382 -4.348 97 HG2 LYS 11 HG2 LYS 11 -1.667 -9.533 -5.169 98 HG3 LYS 11 HG3 LYS 11 -2.959 -10.330 -4.255 99 HD2 LYS 11 HD2 LYS 11 -4.675 -9.309 -5.582 100 HD3 LYS 11 HD3 LYS 11 -3.514 -8.238 -6.396 101 HE2 LYS 11 HE2 LYS 11 -2.415 -10.106 -7.473 102 HE3 LYS 11 HE3 LYS 11 -3.346 -11.278 -6.534 103 HZ1 LYS 11 HZ1 LYS 11 -4.228 -10.979 -8.795 104 HZ2 LYS 11 HZ2 LYS 11 -4.534 -9.401 -8.510 105 HZ3 LYS 11 HZ3 LYS 11 -5.345 -10.559 -7.686 106 HA PRO 12 HA PRO 12 -0.606 -5.628 0.205 107 HB2 PRO 12 HB2 PRO 12 1.658 -6.433 1.505 108 HB3 PRO 12 HB3 PRO 12 0.018 -6.985 1.962 109 HG2 PRO 12 HG2 PRO 12 2.052 -8.407 0.252 110 HG3 PRO 12 HG3 PRO 12 1.062 -9.060 1.608 111 HD2 PRO 12 HD2 PRO 12 0.381 -9.381 -1.035 112 HD3 PRO 12 HD3 PRO 12 -0.847 -9.212 0.249 113 H VAL 13 H VAL 13 1.122 -4.071 0.310 114 HA VAL 13 HA VAL 13 3.016 -4.027 -1.979 115 HB VAL 13 HB VAL 13 2.173 -1.996 -2.903 116 HG11 VAL 13 HG11 VAL 13 0.172 -2.672 -3.976 117 HG12 VAL 13 HG12 VAL 13 1.099 -4.149 -3.687 118 HG13 VAL 13 HG13 VAL 13 -0.277 -3.756 -2.646 119 HG21 VAL 13 HG21 VAL 13 0.129 -0.916 -2.239 120 HG22 VAL 13 HG22 VAL 13 -0.078 -2.039 -0.868 121 HG23 VAL 13 HG23 VAL 13 1.270 -0.883 -0.903 122 H CYS 14 H CYS 14 4.374 -2.092 -1.995 123 HA CYS 14 HA CYS 14 5.026 -1.139 0.753 124 HB2 CYS 14 HB2 CYS 14 6.762 -2.351 -0.802 125 HB3 CYS 14 HB3 CYS 14 6.805 -0.825 -1.672 126 H GLY 15 H GLY 15 4.145 0.795 1.208 127 HA2 GLY 15 HA2 GLY 15 3.373 2.760 -0.862 128 HA3 GLY 15 HA3 GLY 15 3.267 2.976 0.871 129 H SER 16 H SER 16 4.122 4.993 -0.802 130 HA SER 16 HA SER 16 6.898 5.364 -1.114 131 HB2 SER 16 HB2 SER 16 5.032 6.744 -2.060 132 HB3 SER 16 HB3 SER 16 4.848 7.514 -0.473 133 HG SER 16 HG SER 16 6.209 8.705 -1.919 134 H ASP 17 H ASP 17 5.033 5.602 1.827 135 HA ASP 17 HA ASP 17 6.982 6.961 3.487 136 HB2 ASP 17 HB2 ASP 17 4.533 6.717 3.955 137 HB3 ASP 17 HB3 ASP 17 4.784 4.999 4.252 138 H GLY 18 H GLY 18 7.027 3.818 2.117 139 HA2 GLY 18 HA2 GLY 18 8.713 2.222 2.239 140 HA3 GLY 18 HA3 GLY 18 9.339 2.941 3.720 141 H ARG 19 H ARG 19 6.121 2.649 4.301 142 HA ARG 19 HA ARG 19 6.350 0.150 5.842 143 HB2 ARG 19 HB2 ARG 19 4.948 2.439 6.300 144 HB3 ARG 19 HB3 ARG 19 3.694 1.517 5.473 145 HG2 ARG 19 HG2 ARG 19 4.197 -0.369 7.187 146 HG3 ARG 19 HG3 ARG 19 5.215 0.819 8.017 147 HD2 ARG 19 HD2 ARG 19 3.159 2.333 8.114 148 HD3 ARG 19 HD3 ARG 19 2.224 0.966 7.491 149 HE ARG 19 HE ARG 19 3.860 0.700 9.991 150 HH11 ARG 19 HH11 ARG 19 0.650 0.588 8.610 151 HH12 ARG 19 HH12 ARG 19 -0.054 -0.017 10.087 152 HH21 ARG 19 HH21 ARG 19 2.920 -0.068 11.818 153 HH22 ARG 19 HH22 ARG 19 1.212 -0.376 11.854 154 H THR 20 H THR 20 4.836 -1.550 5.670 155 HA THR 20 HA THR 20 3.731 -2.110 2.940 156 HB THR 20 HB THR 20 4.476 -4.122 5.094 157 HG1 THR 20 HG1 THR 20 6.255 -4.500 3.972 158 HG21 THR 20 HG21 THR 20 3.672 -4.529 2.176 159 HG22 THR 20 HG22 THR 20 2.674 -4.948 3.585 160 HG23 THR 20 HG23 THR 20 4.194 -5.799 3.304 161 H TYR 21 H TYR 21 1.520 -2.267 2.766 162 HA TYR 21 HA TYR 21 -0.081 -2.797 5.221 163 HB2 TYR 21 HB2 TYR 21 -0.842 -1.208 2.756 164 HB3 TYR 21 HB3 TYR 21 -1.822 -1.532 4.165 165 HD1 TYR 21 HD2 TYR 21 1.182 0.356 2.985 166 HD2 TYR 21 HD1 TYR 21 -1.798 -0.095 6.079 167 HE1 TYR 21 HE2 TYR 21 1.809 2.572 3.912 168 HE2 TYR 21 HE1 TYR 21 -1.155 2.132 7.005 169 HH TYR 21 HH TYR 21 1.382 4.159 5.509 170 H ALA 22 H ALA 22 -2.189 -3.807 4.647 171 HA ALA 22 HA ALA 22 -1.862 -6.323 3.507 172 HB1 ALA 22 HB1 ALA 22 -4.452 -4.741 3.907 173 HB2 ALA 22 HB2 ALA 22 -4.311 -6.506 3.799 174 HB3 ALA 22 HB3 ALA 22 -3.591 -5.651 5.178 175 H ASN 23 H ASN 23 -2.691 -3.393 1.691 176 HA ASN 23 HA ASN 23 -2.341 -4.656 -0.752 177 HB2 ASN 23 HB2 ASN 23 -4.556 -4.237 -1.762 178 HB3 ASN 23 HB3 ASN 23 -4.509 -5.611 -0.643 179 HD21 ASN 23 HD21 ASN 23 -6.196 -5.706 0.748 180 HD22 ASN 23 HD22 ASN 23 -7.278 -4.363 1.071 181 H SER 24 H SER 24 -3.121 -3.085 -2.581 182 HA SER 24 HA SER 24 -1.910 -0.612 -2.164 183 HB2 SER 24 HB2 SER 24 -2.805 -0.058 -4.462 184 HB3 SER 24 HB3 SER 24 -1.910 -1.585 -4.354 185 HG SER 24 HG SER 24 -3.891 -1.839 -5.495 186 H CYS 25 H CYS 25 -5.343 -1.362 -2.382 187 HA CYS 25 HA CYS 25 -6.512 1.179 -2.321 188 HB2 CYS 25 HB2 CYS 25 -7.469 -1.200 -2.554 189 HB3 CYS 25 HB3 CYS 25 -7.621 -1.197 -0.820 190 H ILE 26 H ILE 26 -5.613 -0.826 0.304 191 HA ILE 26 HA ILE 26 -6.322 0.950 2.503 192 HB ILE 26 HB ILE 26 -4.552 -1.512 2.238 193 HG12 ILE 26 HG12 ILE 26 -6.030 -2.762 3.373 194 HG13 ILE 26 HG13 ILE 26 -6.619 -1.454 4.384 195 HG21 ILE 26 HG21 ILE 26 -3.422 -0.152 3.942 196 HG22 ILE 26 HG22 ILE 26 -4.940 -0.011 4.846 197 HG23 ILE 26 HG23 ILE 26 -4.158 -1.604 4.629 198 HD11 ILE 26 HD11 ILE 26 -8.415 -2.288 3.023 199 HD12 ILE 26 HD12 ILE 26 -8.051 -0.607 2.599 200 HD13 ILE 26 HD13 ILE 26 -7.520 -1.934 1.541 201 H ALA 27 H ALA 27 -3.117 0.247 1.043 202 HA ALA 27 HA ALA 27 -1.629 2.099 2.584 203 HB1 ALA 27 HB1 ALA 27 -0.034 1.950 0.599 204 HB2 ALA 27 HB2 ALA 27 -0.530 0.399 1.297 205 HB3 ALA 27 HB3 ALA 27 -1.278 0.938 -0.193 206 H ARG 28 H ARG 28 -3.192 2.620 -0.602 207 HA ARG 28 HA ARG 28 -2.527 5.411 -0.800 208 HB2 ARG 28 HB2 ARG 28 -3.994 5.502 -2.648 209 HB3 ARG 28 HB3 ARG 28 -3.146 3.952 -2.697 210 HG2 ARG 28 HG2 ARG 28 -5.193 2.892 -1.649 211 HG3 ARG 28 HG3 ARG 28 -6.037 4.416 -1.816 212 HD2 ARG 28 HD2 ARG 28 -4.909 2.674 -4.044 213 HD3 ARG 28 HD3 ARG 28 -6.612 2.975 -3.709 214 HE ARG 28 HE ARG 28 -4.798 4.625 -5.249 215 HH11 ARG 28 HH11 ARG 28 -7.710 4.911 -3.328 216 HH12 ARG 28 HH12 ARG 28 -8.115 6.459 -4.013 217 HH21 ARG 28 HH21 ARG 28 -5.369 6.576 -6.089 218 HH22 ARG 28 HH22 ARG 28 -6.818 7.367 -5.546 219 H CYS 29 H CYS 29 -5.224 3.888 0.814 220 HA CYS 29 HA CYS 29 -6.926 6.128 1.174 221 HB2 CYS 29 HB2 CYS 29 -7.352 3.702 1.757 222 HB3 CYS 29 HB3 CYS 29 -6.420 3.943 3.226 223 H ASN 30 H ASN 30 -4.008 5.219 2.955 224 HA ASN 30 HA ASN 30 -4.111 7.303 4.963 225 HB2 ASN 30 HB2 ASN 30 -2.001 5.335 3.966 226 HB3 ASN 30 HB3 ASN 30 -1.694 6.512 5.212 227 HD21 ASN 30 HD21 ASN 30 -3.581 3.524 4.487 228 HD22 ASN 30 HD22 ASN 30 -3.954 3.290 6.185 229 H GLY 31 H GLY 31 -3.632 7.598 1.657 230 HA2 GLY 31 HA2 GLY 31 -3.448 9.644 0.592 231 HA3 GLY 31 HA3 GLY 31 -2.581 10.331 1.959 232 H VAL 32 H VAL 32 -0.822 7.618 1.578 233 HA VAL 32 HA VAL 32 1.203 8.883 -0.110 234 HB VAL 32 HB VAL 32 2.541 6.932 0.697 235 HG11 VAL 32 HG11 VAL 32 1.327 8.736 2.826 236 HG12 VAL 32 HG12 VAL 32 2.882 7.894 2.937 237 HG13 VAL 32 HG13 VAL 32 2.657 9.163 1.727 238 HG21 VAL 32 HG21 VAL 32 0.746 5.339 1.333 239 HG22 VAL 32 HG22 VAL 32 1.866 5.671 2.658 240 HG23 VAL 32 HG23 VAL 32 0.266 6.426 2.654 241 H SER 33 H SER 33 1.876 8.189 -2.129 242 HA SER 33 HA SER 33 0.303 6.344 -3.644 243 HB2 SER 33 HB2 SER 33 2.255 6.805 -5.260 244 HB3 SER 33 HB3 SER 33 1.217 8.144 -4.798 245 HG SER 33 HG SER 33 3.888 7.597 -4.049 246 H ILE 34 H ILE 34 1.337 4.593 -4.876 247 HA ILE 34 HA ILE 34 2.732 2.746 -3.010 248 HB ILE 34 HB ILE 34 1.494 2.109 -5.696 249 HG12 ILE 34 HG12 ILE 34 -0.326 2.825 -4.296 250 HG13 ILE 34 HG13 ILE 34 -0.339 1.068 -4.304 251 HG21 ILE 34 HG21 ILE 34 2.539 0.340 -3.438 252 HG22 ILE 34 HG22 ILE 34 1.447 -0.248 -4.689 253 HG23 ILE 34 HG23 ILE 34 3.045 0.369 -5.139 254 HD11 ILE 34 HD11 ILE 34 0.587 2.922 -2.075 255 HD12 ILE 34 HD12 ILE 34 -0.682 1.691 -2.065 256 HD13 ILE 34 HD13 ILE 34 1.051 1.218 -2.101 257 H LYS 35 H LYS 35 4.777 2.744 -2.974 258 HA LYS 35 HA LYS 35 6.567 3.593 -5.095 259 HB2 LYS 35 HB2 LYS 35 7.167 3.721 -2.709 260 HB3 LYS 35 HB3 LYS 35 7.024 1.977 -2.548 261 HG2 LYS 35 HG2 LYS 35 9.319 2.575 -2.626 262 HG3 LYS 35 HG3 LYS 35 8.954 1.651 -4.071 263 HD2 LYS 35 HD2 LYS 35 8.942 4.700 -4.129 264 HD3 LYS 35 HD3 LYS 35 10.443 3.780 -4.140 265 HE2 LYS 35 HE2 LYS 35 9.652 2.525 -6.163 266 HE3 LYS 35 HE3 LYS 35 8.248 3.591 -6.233 267 HZ1 LYS 35 HZ1 LYS 35 10.013 4.382 -7.679 268 HZ2 LYS 35 HZ2 LYS 35 11.073 4.481 -6.446 269 HZ3 LYS 35 HZ3 LYS 35 9.777 5.477 -6.493 270 H SER 36 H SER 36 5.407 0.441 -3.925 271 HA SER 36 HA SER 36 5.569 -0.686 -6.562 272 HB2 SER 36 HB2 SER 36 8.019 -0.815 -5.905 273 HB3 SER 36 HB3 SER 36 7.555 -2.005 -4.674 274 HG SER 36 HG SER 36 8.220 -2.930 -6.700 275 H GLU 37 H GLU 37 5.187 -3.051 -6.557 276 HA GLU 37 HA GLU 37 3.013 -3.744 -4.679 277 HB2 GLU 37 HB2 GLU 37 2.541 -5.495 -6.386 278 HB3 GLU 37 HB3 GLU 37 2.314 -3.836 -6.925 279 HG2 GLU 37 HG2 GLU 37 4.415 -3.930 -8.202 280 HG3 GLU 37 HG3 GLU 37 4.799 -5.512 -7.518 281 H GLY 38 H GLY 38 2.880 -5.808 -3.731 282 HA2 GLY 38 HA2 GLY 38 3.665 -7.737 -2.718 283 HA3 GLY 38 HA3 GLY 38 5.259 -7.520 -3.451 284 H SER 39 H SER 39 4.689 -8.071 -0.677 285 HA SER 39 HA SER 39 5.243 -5.850 1.024 286 HB2 SER 39 HB2 SER 39 6.422 -8.603 1.370 287 HB3 SER 39 HB3 SER 39 6.008 -7.435 2.621 288 HG SER 39 HG SER 39 4.454 -9.157 2.412 289 H CYS 40 H CYS 40 7.047 -4.662 1.293 290 HA CYS 40 HA CYS 40 9.199 -5.012 -0.639 291 HB2 CYS 40 HB2 CYS 40 10.179 -2.967 0.757 292 HB3 CYS 40 HB3 CYS 40 8.969 -2.845 -0.492 293 HA PRO 41 HA PRO 41 12.222 -7.211 1.630 294 HB2 PRO 41 HB2 PRO 41 14.605 -6.046 0.871 295 HB3 PRO 41 HB3 PRO 41 13.606 -7.079 -0.194 296 HG2 PRO 41 HG2 PRO 41 13.657 -4.049 -0.057 297 HG3 PRO 41 HG3 PRO 41 13.737 -5.096 -1.512 298 HD2 PRO 41 HD2 PRO 41 11.391 -3.970 -0.724 299 HD3 PRO 41 HD3 PRO 41 11.428 -5.632 -1.357 300 H THR 42 H THR 42 13.236 -7.233 3.610 301 HA THR 42 HA THR 42 14.160 -4.899 5.009 302 HB THR 42 HB THR 42 11.923 -4.368 5.358 303 HG1 THR 42 HG1 THR 42 12.598 -5.693 7.741 304 HG21 THR 42 HG21 THR 42 11.326 -7.136 6.486 305 HG22 THR 42 HG22 THR 42 10.743 -6.497 4.934 306 HG23 THR 42 HG23 THR 42 10.234 -5.740 6.446 307 H GLY 43 H GLY 43 15.817 -5.625 5.854 308 HA2 GLY 43 HA2 GLY 43 16.182 -7.071 8.103 309 HA3 GLY 43 HA3 GLY 43 16.206 -8.384 6.928 310 H ILE 44 H ILE 44 17.612 -6.666 4.909 311 HA ILE 44 HA ILE 44 20.201 -5.980 6.081 312 HB ILE 44 HB ILE 44 20.391 -8.401 5.684 313 HG12 ILE 44 HG12 ILE 44 22.441 -8.433 4.306 314 HG13 ILE 44 HG13 ILE 44 22.147 -6.771 3.802 315 HG21 ILE 44 HG21 ILE 44 20.403 -9.363 3.445 316 HG22 ILE 44 HG22 ILE 44 18.830 -8.629 3.767 317 HG23 ILE 44 HG23 ILE 44 20.002 -7.794 2.724 318 HD11 ILE 44 HD11 ILE 44 22.567 -7.692 6.688 319 HD12 ILE 44 HD12 ILE 44 23.813 -6.974 5.648 320 HD13 ILE 44 HD13 ILE 44 22.418 -6.004 6.141 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -17.476 -0.606 -9.071 2 H2 LYS 1 H2 LYS 1 -16.350 -1.154 -8.023 3 H3 LYS 1 H3 LYS 1 -17.942 -1.357 -7.695 4 HA LYS 1 HA LYS 1 -16.543 1.239 -7.843 5 HB2 LYS 1 HB2 LYS 1 -18.916 1.244 -8.652 6 HB3 LYS 1 HB3 LYS 1 -19.440 0.705 -7.057 7 HG2 LYS 1 HG2 LYS 1 -18.559 2.808 -6.057 8 HG3 LYS 1 HG3 LYS 1 -17.895 3.276 -7.629 9 HD2 LYS 1 HD2 LYS 1 -19.921 4.506 -7.343 10 HD3 LYS 1 HD3 LYS 1 -20.226 3.280 -8.578 11 HE2 LYS 1 HE2 LYS 1 -21.282 1.833 -6.779 12 HE3 LYS 1 HE3 LYS 1 -21.042 3.157 -5.634 13 HZ1 LYS 1 HZ1 LYS 1 -22.472 4.541 -7.068 14 HZ2 LYS 1 HZ2 LYS 1 -23.275 3.213 -6.567 15 HZ3 LYS 1 HZ3 LYS 1 -22.709 3.291 -8.094 16 H LYS 2 H LYS 2 -15.053 1.106 -6.241 17 HA LYS 2 HA LYS 2 -15.883 0.269 -3.482 18 HB2 LYS 2 HB2 LYS 2 -13.671 -0.840 -3.235 19 HB3 LYS 2 HB3 LYS 2 -14.858 -1.661 -4.233 20 HG2 LYS 2 HG2 LYS 2 -13.692 -1.235 -6.239 21 HG3 LYS 2 HG3 LYS 2 -12.717 0.062 -5.529 22 HD2 LYS 2 HD2 LYS 2 -11.494 -1.482 -4.146 23 HD3 LYS 2 HD3 LYS 2 -12.503 -2.849 -4.633 24 HE2 LYS 2 HE2 LYS 2 -10.809 -1.220 -6.583 25 HE3 LYS 2 HE3 LYS 2 -10.185 -2.626 -5.718 26 HZ1 LYS 2 HZ1 LYS 2 -11.921 -3.980 -6.758 27 HZ2 LYS 2 HZ2 LYS 2 -11.003 -3.265 -7.897 28 HZ3 LYS 2 HZ3 LYS 2 -12.496 -2.692 -7.586 29 H VAL 3 H VAL 3 -16.142 2.553 -3.356 30 HA VAL 3 HA VAL 3 -13.680 4.171 -2.945 31 HB VAL 3 HB VAL 3 -16.590 4.977 -2.590 32 HG11 VAL 3 HG11 VAL 3 -15.106 6.512 -1.375 33 HG12 VAL 3 HG12 VAL 3 -14.042 6.649 -2.793 34 HG13 VAL 3 HG13 VAL 3 -15.696 7.298 -2.836 35 HG21 VAL 3 HG21 VAL 3 -14.680 5.364 -4.943 36 HG22 VAL 3 HG22 VAL 3 -16.159 4.377 -4.941 37 HG23 VAL 3 HG23 VAL 3 -16.278 6.128 -4.788 38 H CYS 4 H CYS 4 -16.102 2.583 -1.007 39 HA CYS 4 HA CYS 4 -14.723 3.418 1.525 40 HB2 CYS 4 HB2 CYS 4 -16.877 3.035 2.644 41 HB3 CYS 4 HB3 CYS 4 -16.911 4.328 1.456 42 H ALA 5 H ALA 5 -16.617 0.622 0.252 43 HA ALA 5 HA ALA 5 -15.309 -1.266 2.045 44 HB1 ALA 5 HB1 ALA 5 -17.166 -1.681 -0.329 45 HB2 ALA 5 HB2 ALA 5 -16.652 -2.920 0.838 46 HB3 ALA 5 HB3 ALA 5 -17.640 -1.550 1.384 47 H CYS 6 H CYS 6 -13.079 -0.914 1.554 48 HA CYS 6 HA CYS 6 -11.830 -1.480 -0.929 49 HB2 CYS 6 HB2 CYS 6 -11.065 -1.337 1.997 50 HB3 CYS 6 HB3 CYS 6 -9.924 -1.982 0.857 51 HA PRO 7 HA PRO 7 -12.091 -5.814 -1.222 52 HB2 PRO 7 HB2 PRO 7 -9.836 -6.558 -2.563 53 HB3 PRO 7 HB3 PRO 7 -11.069 -5.478 -3.279 54 HG2 PRO 7 HG2 PRO 7 -8.459 -4.706 -1.951 55 HG3 PRO 7 HG3 PRO 7 -9.131 -4.117 -3.505 56 HD2 PRO 7 HD2 PRO 7 -9.390 -2.791 -1.107 57 HD3 PRO 7 HD3 PRO 7 -10.619 -2.658 -2.395 58 H LYS 8 H LYS 8 -11.424 -7.865 -0.485 59 HA LYS 8 HA LYS 8 -9.700 -7.913 1.908 60 HB2 LYS 8 HB2 LYS 8 -10.977 -9.934 2.431 61 HB3 LYS 8 HB3 LYS 8 -12.009 -8.533 2.194 62 HG2 LYS 8 HG2 LYS 8 -12.652 -9.359 -0.054 63 HG3 LYS 8 HG3 LYS 8 -11.516 -10.699 0.098 64 HD2 LYS 8 HD2 LYS 8 -13.762 -11.503 0.537 65 HD3 LYS 8 HD3 LYS 8 -12.786 -11.608 1.995 66 HE2 LYS 8 HE2 LYS 8 -14.955 -10.854 2.643 67 HE3 LYS 8 HE3 LYS 8 -13.849 -9.498 2.842 68 HZ1 LYS 8 HZ1 LYS 8 -14.694 -8.596 0.728 69 HZ2 LYS 8 HZ2 LYS 8 -15.929 -8.838 1.761 70 HZ3 LYS 8 HZ3 LYS 8 -15.690 -9.881 0.533 71 H ILE 9 H ILE 9 -9.027 -8.359 -1.115 72 HA ILE 9 HA ILE 9 -7.754 -10.972 -1.256 73 HB ILE 9 HB ILE 9 -7.097 -8.559 -2.950 74 HG12 ILE 9 HG12 ILE 9 -9.248 -10.645 -3.563 75 HG13 ILE 9 HG13 ILE 9 -9.597 -9.021 -2.984 76 HG21 ILE 9 HG21 ILE 9 -5.505 -10.405 -3.233 77 HG22 ILE 9 HG22 ILE 9 -6.845 -11.543 -3.520 78 HG23 ILE 9 HG23 ILE 9 -6.470 -10.249 -4.673 79 HD11 ILE 9 HD11 ILE 9 -8.467 -8.063 -5.003 80 HD12 ILE 9 HD12 ILE 9 -8.375 -9.715 -5.665 81 HD13 ILE 9 HD13 ILE 9 -9.946 -8.988 -5.320 82 H LEU 10 H LEU 10 -5.679 -11.456 -1.085 83 HA LEU 10 HA LEU 10 -3.855 -9.793 0.597 84 HB2 LEU 10 HB2 LEU 10 -3.810 -12.710 -0.260 85 HB3 LEU 10 HB3 LEU 10 -2.465 -11.944 0.579 86 HG LEU 10 HG LEU 10 -5.280 -12.049 1.747 87 HD11 LEU 10 HD11 LEU 10 -4.424 -14.332 1.420 88 HD12 LEU 10 HD12 LEU 10 -4.439 -13.906 3.138 89 HD13 LEU 10 HD13 LEU 10 -2.904 -13.898 2.235 90 HD21 LEU 10 HD21 LEU 10 -3.824 -10.306 2.740 91 HD22 LEU 10 HD22 LEU 10 -2.539 -11.510 2.992 92 HD23 LEU 10 HD23 LEU 10 -4.073 -11.632 3.879 93 H LYS 11 H LYS 11 -3.595 -8.225 -1.107 94 HA LYS 11 HA LYS 11 -1.316 -8.925 -2.886 95 HB2 LYS 11 HB2 LYS 11 -2.273 -7.438 -4.613 96 HB3 LYS 11 HB3 LYS 11 -3.128 -8.954 -4.371 97 HG2 LYS 11 HG2 LYS 11 -4.892 -7.773 -3.089 98 HG3 LYS 11 HG3 LYS 11 -4.081 -6.232 -3.351 99 HD2 LYS 11 HD2 LYS 11 -4.976 -8.069 -5.613 100 HD3 LYS 11 HD3 LYS 11 -6.037 -6.848 -4.929 101 HE2 LYS 11 HE2 LYS 11 -3.286 -6.086 -5.978 102 HE3 LYS 11 HE3 LYS 11 -4.632 -6.326 -7.092 103 HZ1 LYS 11 HZ1 LYS 11 -4.695 -4.405 -4.834 104 HZ2 LYS 11 HZ2 LYS 11 -5.874 -4.615 -5.950 105 HZ3 LYS 11 HZ3 LYS 11 -4.431 -4.003 -6.396 106 HA PRO 12 HA PRO 12 -0.624 -5.342 -0.019 107 HB2 PRO 12 HB2 PRO 12 1.701 -6.172 1.185 108 HB3 PRO 12 HB3 PRO 12 0.069 -6.671 1.718 109 HG2 PRO 12 HG2 PRO 12 1.991 -8.191 -0.045 110 HG3 PRO 12 HG3 PRO 12 1.031 -8.782 1.357 111 HD2 PRO 12 HD2 PRO 12 0.225 -9.136 -1.235 112 HD3 PRO 12 HD3 PRO 12 -0.939 -8.866 0.092 113 H VAL 13 H VAL 13 1.202 -3.857 0.153 114 HA VAL 13 HA VAL 13 3.006 -3.708 -2.208 115 HB VAL 13 HB VAL 13 2.283 -1.417 -2.692 116 HG11 VAL 13 HG11 VAL 13 1.281 -3.370 -3.925 117 HG12 VAL 13 HG12 VAL 13 -0.130 -3.255 -2.857 118 HG13 VAL 13 HG13 VAL 13 0.301 -1.900 -3.922 119 HG21 VAL 13 HG21 VAL 13 1.314 -0.680 -0.587 120 HG22 VAL 13 HG22 VAL 13 0.087 -0.578 -1.852 121 HG23 VAL 13 HG23 VAL 13 0.032 -1.910 -0.693 122 H CYS 14 H CYS 14 4.705 -2.243 -1.983 123 HA CYS 14 HA CYS 14 5.328 -1.318 0.788 124 HB2 CYS 14 HB2 CYS 14 7.094 -2.546 -0.639 125 HB3 CYS 14 HB3 CYS 14 7.099 -1.125 -1.675 126 H GLY 15 H GLY 15 4.511 0.688 1.247 127 HA2 GLY 15 HA2 GLY 15 3.725 2.599 -0.872 128 HA3 GLY 15 HA3 GLY 15 3.603 2.845 0.861 129 H SER 16 H SER 16 4.532 4.843 -0.924 130 HA SER 16 HA SER 16 7.390 4.954 -1.058 131 HB2 SER 16 HB2 SER 16 5.649 6.296 -2.386 132 HB3 SER 16 HB3 SER 16 5.641 7.418 -1.014 133 HG SER 16 HG SER 16 7.926 7.637 -1.307 134 H ASP 17 H ASP 17 5.403 5.457 1.684 135 HA ASP 17 HA ASP 17 7.277 7.017 3.289 136 HB2 ASP 17 HB2 ASP 17 4.801 6.828 3.678 137 HB3 ASP 17 HB3 ASP 17 5.034 5.140 4.134 138 H GLY 18 H GLY 18 7.321 3.766 2.175 139 HA2 GLY 18 HA2 GLY 18 9.037 2.209 2.469 140 HA3 GLY 18 HA3 GLY 18 9.548 2.989 3.961 141 H ARG 19 H ARG 19 6.335 2.752 4.393 142 HA ARG 19 HA ARG 19 6.340 0.272 5.966 143 HB2 ARG 19 HB2 ARG 19 4.629 2.668 5.604 144 HB3 ARG 19 HB3 ARG 19 3.678 1.210 5.674 145 HG2 ARG 19 HG2 ARG 19 5.756 1.926 7.785 146 HG3 ARG 19 HG3 ARG 19 4.055 2.402 7.863 147 HD2 ARG 19 HD2 ARG 19 3.412 -0.044 7.705 148 HD3 ARG 19 HD3 ARG 19 5.124 -0.450 7.815 149 HE ARG 19 HE ARG 19 5.136 0.060 10.081 150 HH11 ARG 19 HH11 ARG 19 2.063 1.156 8.823 151 HH12 ARG 19 HH12 ARG 19 1.398 1.408 10.415 152 HH21 ARG 19 HH21 ARG 19 4.234 0.381 12.071 153 HH22 ARG 19 HH22 ARG 19 2.606 0.972 12.201 154 H THR 20 H THR 20 4.734 -1.346 5.699 155 HA THR 20 HA THR 20 3.757 -1.862 2.917 156 HB THR 20 HB THR 20 4.633 -3.886 5.012 157 HG1 THR 20 HG1 THR 20 6.287 -3.010 3.768 158 HG21 THR 20 HG21 THR 20 2.634 -4.770 3.849 159 HG22 THR 20 HG22 THR 20 4.091 -5.618 3.360 160 HG23 THR 20 HG23 THR 20 3.385 -4.402 2.277 161 H TYR 21 H TYR 21 1.638 -2.169 2.677 162 HA TYR 21 HA TYR 21 -0.108 -2.531 5.056 163 HB2 TYR 21 HB2 TYR 21 -0.871 -0.938 2.613 164 HB3 TYR 21 HB3 TYR 21 -1.607 -0.964 4.212 165 HD1 TYR 21 HD2 TYR 21 -0.610 0.314 6.103 166 HD2 TYR 21 HD1 TYR 21 1.002 0.508 2.105 167 HE1 TYR 21 HE2 TYR 21 0.561 2.450 6.666 168 HE2 TYR 21 HE1 TYR 21 2.155 2.638 2.671 169 HH TYR 21 HH TYR 21 2.485 4.255 4.251 170 H ALA 22 H ALA 22 -2.362 -3.343 4.278 171 HA ALA 22 HA ALA 22 -1.750 -5.965 3.314 172 HB1 ALA 22 HB1 ALA 22 -4.137 -6.393 3.755 173 HB2 ALA 22 HB2 ALA 22 -3.420 -5.444 5.069 174 HB3 ALA 22 HB3 ALA 22 -4.455 -4.649 3.858 175 H ASN 23 H ASN 23 -2.936 -3.204 1.560 176 HA ASN 23 HA ASN 23 -2.517 -4.415 -0.947 177 HB2 ASN 23 HB2 ASN 23 -4.845 -4.060 -1.863 178 HB3 ASN 23 HB3 ASN 23 -4.644 -5.472 -0.824 179 HD21 ASN 23 HD21 ASN 23 -6.363 -5.749 0.533 180 HD22 ASN 23 HD22 ASN 23 -7.377 -4.445 1.117 181 H SER 24 H SER 24 -3.564 -2.829 -2.718 182 HA SER 24 HA SER 24 -2.353 -0.322 -2.234 183 HB2 SER 24 HB2 SER 24 -4.270 -1.085 -4.471 184 HB3 SER 24 HB3 SER 24 -3.299 0.395 -4.430 185 HG SER 24 HG SER 24 -2.240 -2.263 -4.385 186 H CYS 25 H CYS 25 -5.704 -1.313 -1.926 187 HA CYS 25 HA CYS 25 -7.007 1.226 -2.044 188 HB2 CYS 25 HB2 CYS 25 -7.848 -1.220 -2.166 189 HB3 CYS 25 HB3 CYS 25 -7.944 -1.161 -0.430 190 H ILE 26 H ILE 26 -5.796 -0.639 0.573 191 HA ILE 26 HA ILE 26 -6.464 1.303 2.684 192 HB ILE 26 HB ILE 26 -6.106 -1.116 3.179 193 HG12 ILE 26 HG12 ILE 26 -4.886 -0.798 5.341 194 HG13 ILE 26 HG13 ILE 26 -4.454 0.833 4.825 195 HG21 ILE 26 HG21 ILE 26 -4.307 -1.756 1.930 196 HG22 ILE 26 HG22 ILE 26 -3.203 -0.683 2.820 197 HG23 ILE 26 HG23 ILE 26 -3.974 -2.058 3.632 198 HD11 ILE 26 HD11 ILE 26 -6.847 1.471 4.814 199 HD12 ILE 26 HD12 ILE 26 -7.311 -0.214 5.154 200 HD13 ILE 26 HD13 ILE 26 -6.428 0.733 6.366 201 H ALA 27 H ALA 27 -3.475 0.434 1.122 202 HA ALA 27 HA ALA 27 -1.701 2.294 2.194 203 HB1 ALA 27 HB1 ALA 27 -1.047 0.459 0.671 204 HB2 ALA 27 HB2 ALA 27 -1.701 1.365 -0.708 205 HB3 ALA 27 HB3 ALA 27 -0.317 2.005 0.199 206 H ARG 28 H ARG 28 -3.592 2.892 -0.786 207 HA ARG 28 HA ARG 28 -2.900 5.644 -1.138 208 HB2 ARG 28 HB2 ARG 28 -4.787 5.749 -2.669 209 HB3 ARG 28 HB3 ARG 28 -3.854 4.277 -2.889 210 HG2 ARG 28 HG2 ARG 28 -5.881 3.273 -2.956 211 HG3 ARG 28 HG3 ARG 28 -5.717 3.280 -1.218 212 HD2 ARG 28 HD2 ARG 28 -7.909 4.038 -1.667 213 HD3 ARG 28 HD3 ARG 28 -7.013 5.496 -1.213 214 HE ARG 28 HE ARG 28 -6.909 5.137 -4.064 215 HH11 ARG 28 HH11 ARG 28 -9.238 6.104 -1.645 216 HH12 ARG 28 HH12 ARG 28 -10.174 7.032 -2.786 217 HH21 ARG 28 HH21 ARG 28 -8.143 6.305 -5.472 218 HH22 ARG 28 HH22 ARG 28 -9.564 7.126 -4.903 219 H CYS 29 H CYS 29 -5.363 4.224 0.915 220 HA CYS 29 HA CYS 29 -6.819 6.615 1.526 221 HB2 CYS 29 HB2 CYS 29 -7.402 4.134 1.941 222 HB3 CYS 29 HB3 CYS 29 -6.462 4.276 3.417 223 H ASN 30 H ASN 30 -3.833 5.254 2.933 224 HA ASN 30 HA ASN 30 -3.585 7.050 5.140 225 HB2 ASN 30 HB2 ASN 30 -1.419 5.604 3.552 226 HB3 ASN 30 HB3 ASN 30 -1.297 6.231 5.172 227 HD21 ASN 30 HD21 ASN 30 -3.311 5.267 6.680 228 HD22 ASN 30 HD22 ASN 30 -3.339 3.510 6.515 229 H GLY 31 H GLY 31 -3.451 7.828 1.826 230 HA2 GLY 31 HA2 GLY 31 -3.183 9.980 0.971 231 HA3 GLY 31 HA3 GLY 31 -2.312 10.483 2.413 232 H VAL 32 H VAL 32 -1.104 7.569 1.021 233 HA VAL 32 HA VAL 32 1.023 8.985 -0.533 234 HB VAL 32 HB VAL 32 1.704 6.536 1.059 235 HG11 VAL 32 HG11 VAL 32 3.321 7.257 -0.614 236 HG12 VAL 32 HG12 VAL 32 3.337 8.902 0.064 237 HG13 VAL 32 HG13 VAL 32 3.978 7.535 0.996 238 HG21 VAL 32 HG21 VAL 32 1.872 9.384 2.147 239 HG22 VAL 32 HG22 VAL 32 0.906 8.053 2.829 240 HG23 VAL 32 HG23 VAL 32 2.664 7.968 2.871 241 H SER 33 H SER 33 1.972 7.754 -2.232 242 HA SER 33 HA SER 33 0.226 5.810 -3.524 243 HB2 SER 33 HB2 SER 33 2.182 6.079 -5.233 244 HB3 SER 33 HB3 SER 33 1.006 7.370 -5.025 245 HG SER 33 HG SER 33 3.171 8.156 -5.044 246 H ILE 34 H ILE 34 1.068 3.834 -4.445 247 HA ILE 34 HA ILE 34 2.808 2.292 -2.780 248 HB ILE 34 HB ILE 34 2.149 0.549 -4.023 249 HG12 ILE 34 HG12 ILE 34 0.660 0.883 -6.211 250 HG13 ILE 34 HG13 ILE 34 1.667 2.311 -6.400 251 HG21 ILE 34 HG21 ILE 34 0.315 1.609 -2.731 252 HG22 ILE 34 HG22 ILE 34 -0.313 2.279 -4.254 253 HG23 ILE 34 HG23 ILE 34 -0.223 0.530 -4.029 254 HD11 ILE 34 HD11 ILE 34 2.615 -0.592 -6.088 255 HD12 ILE 34 HD12 ILE 34 2.582 0.341 -7.598 256 HD13 ILE 34 HD13 ILE 34 3.701 0.793 -6.302 257 H LYS 35 H LYS 35 4.917 2.076 -2.955 258 HA LYS 35 HA LYS 35 6.438 3.393 -5.120 259 HB2 LYS 35 HB2 LYS 35 6.992 3.370 -2.572 260 HB3 LYS 35 HB3 LYS 35 7.561 1.730 -2.826 261 HG2 LYS 35 HG2 LYS 35 9.404 3.299 -2.870 262 HG3 LYS 35 HG3 LYS 35 9.234 2.587 -4.479 263 HD2 LYS 35 HD2 LYS 35 8.279 4.599 -5.377 264 HD3 LYS 35 HD3 LYS 35 7.939 5.247 -3.761 265 HE2 LYS 35 HE2 LYS 35 10.385 5.408 -3.328 266 HE3 LYS 35 HE3 LYS 35 10.705 4.828 -4.970 267 HZ1 LYS 35 HZ1 LYS 35 10.747 7.265 -4.838 268 HZ2 LYS 35 HZ2 LYS 35 9.206 7.309 -4.297 269 HZ3 LYS 35 HZ3 LYS 35 9.532 6.791 -5.817 270 H SER 36 H SER 36 5.713 0.146 -3.969 271 HA SER 36 HA SER 36 5.925 -0.913 -6.655 272 HB2 SER 36 HB2 SER 36 7.483 -2.810 -6.049 273 HB3 SER 36 HB3 SER 36 8.235 -1.237 -6.249 274 HG SER 36 HG SER 36 8.389 -1.028 -4.023 275 H GLU 37 H GLU 37 5.275 -3.189 -6.818 276 HA GLU 37 HA GLU 37 3.108 -3.906 -5.020 277 HB2 GLU 37 HB2 GLU 37 2.921 -5.837 -6.589 278 HB3 GLU 37 HB3 GLU 37 2.682 -4.254 -7.304 279 HG2 GLU 37 HG2 GLU 37 4.915 -4.335 -8.330 280 HG3 GLU 37 HG3 GLU 37 5.289 -5.831 -7.476 281 H GLY 38 H GLY 38 2.957 -5.749 -3.806 282 HA2 GLY 38 HA2 GLY 38 3.614 -7.571 -2.552 283 HA3 GLY 38 HA3 GLY 38 5.248 -7.495 -3.226 284 H SER 39 H SER 39 4.687 -7.826 -0.549 285 HA SER 39 HA SER 39 5.271 -5.492 1.089 286 HB2 SER 39 HB2 SER 39 4.594 -7.651 2.047 287 HB3 SER 39 HB3 SER 39 6.103 -8.390 1.452 288 HG SER 39 HG SER 39 6.238 -7.788 3.658 289 H CYS 40 H CYS 40 7.248 -4.754 1.834 290 HA CYS 40 HA CYS 40 9.509 -5.199 -0.045 291 HB2 CYS 40 HB2 CYS 40 10.387 -2.991 0.893 292 HB3 CYS 40 HB3 CYS 40 9.088 -3.065 -0.270 293 HA PRO 41 HA PRO 41 12.139 -6.942 3.007 294 HB2 PRO 41 HB2 PRO 41 14.627 -6.282 2.070 295 HB3 PRO 41 HB3 PRO 41 13.537 -7.441 1.255 296 HG2 PRO 41 HG2 PRO 41 13.944 -4.500 0.613 297 HG3 PRO 41 HG3 PRO 41 13.931 -5.889 -0.520 298 HD2 PRO 41 HD2 PRO 41 11.702 -4.329 -0.118 299 HD3 PRO 41 HD3 PRO 41 11.578 -6.079 -0.401 300 H THR 42 H THR 42 12.634 -6.362 5.019 301 HA THR 42 HA THR 42 12.712 -3.634 5.864 302 HB THR 42 HB THR 42 13.596 -5.755 7.779 303 HG1 THR 42 HG1 THR 42 11.509 -6.593 7.924 304 HG21 THR 42 HG21 THR 42 12.925 -3.459 8.531 305 HG22 THR 42 HG22 THR 42 11.879 -4.714 9.208 306 HG23 THR 42 HG23 THR 42 11.309 -3.728 7.845 307 H GLY 43 H GLY 43 15.196 -5.311 4.565 308 HA2 GLY 43 HA2 GLY 43 17.358 -4.917 6.421 309 HA3 GLY 43 HA3 GLY 43 17.508 -5.421 4.745 310 H ILE 44 H ILE 44 16.034 -2.674 4.169 311 HA ILE 44 HA ILE 44 18.334 -0.795 4.555 312 HB ILE 44 HB ILE 44 16.835 -1.072 1.910 313 HG12 ILE 44 HG12 ILE 44 19.375 -1.515 1.169 314 HG13 ILE 44 HG13 ILE 44 19.531 -2.155 2.795 315 HG21 ILE 44 HG21 ILE 44 19.202 0.661 2.779 316 HG22 ILE 44 HG22 ILE 44 18.510 0.590 1.142 317 HG23 ILE 44 HG23 ILE 44 17.547 1.237 2.467 318 HD11 ILE 44 HD11 ILE 44 17.536 -3.066 0.659 319 HD12 ILE 44 HD12 ILE 44 19.041 -3.893 1.096 320 HD13 ILE 44 HD13 ILE 44 17.713 -3.811 2.261 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -13.993 9.531 -8.263 2 H2 LYS 1 H2 LYS 1 -15.494 10.187 -8.295 3 H3 LYS 1 H3 LYS 1 -14.530 10.411 -6.995 4 HA LYS 1 HA LYS 1 -16.213 8.775 -6.466 5 HB2 LYS 1 HB2 LYS 1 -15.041 7.338 -8.891 6 HB3 LYS 1 HB3 LYS 1 -16.007 6.526 -7.650 7 HG2 LYS 1 HG2 LYS 1 -17.929 7.986 -8.106 8 HG3 LYS 1 HG3 LYS 1 -16.990 8.906 -9.282 9 HD2 LYS 1 HD2 LYS 1 -18.434 7.397 -10.461 10 HD3 LYS 1 HD3 LYS 1 -16.765 6.887 -10.702 11 HE2 LYS 1 HE2 LYS 1 -17.042 5.106 -9.000 12 HE3 LYS 1 HE3 LYS 1 -18.695 5.664 -8.672 13 HZ1 LYS 1 HZ1 LYS 1 -17.747 4.581 -11.278 14 HZ2 LYS 1 HZ2 LYS 1 -19.272 5.085 -10.968 15 HZ3 LYS 1 HZ3 LYS 1 -18.673 3.777 -10.205 16 H LYS 2 H LYS 2 -15.703 7.606 -4.717 17 HA LYS 2 HA LYS 2 -13.042 6.317 -4.386 18 HB2 LYS 2 HB2 LYS 2 -12.842 8.650 -3.533 19 HB3 LYS 2 HB3 LYS 2 -14.186 8.354 -2.420 20 HG2 LYS 2 HG2 LYS 2 -12.848 6.502 -1.363 21 HG3 LYS 2 HG3 LYS 2 -11.501 6.891 -2.438 22 HD2 LYS 2 HD2 LYS 2 -12.754 8.801 -0.408 23 HD3 LYS 2 HD3 LYS 2 -11.301 7.834 -0.127 24 HE2 LYS 2 HE2 LYS 2 -10.171 8.979 -2.036 25 HE3 LYS 2 HE3 LYS 2 -11.609 9.978 -2.275 26 HZ1 LYS 2 HZ1 LYS 2 -11.289 10.860 -0.021 27 HZ2 LYS 2 HZ2 LYS 2 -9.962 11.136 -0.927 28 HZ3 LYS 2 HZ3 LYS 2 -9.948 9.949 0.191 29 H VAL 3 H VAL 3 -13.489 4.251 -3.838 30 HA VAL 3 HA VAL 3 -15.983 3.346 -2.778 31 HB VAL 3 HB VAL 3 -14.786 1.199 -2.474 32 HG11 VAL 3 HG11 VAL 3 -14.546 0.735 -4.858 33 HG12 VAL 3 HG12 VAL 3 -15.948 1.775 -4.568 34 HG13 VAL 3 HG13 VAL 3 -14.447 2.471 -5.214 35 HG21 VAL 3 HG21 VAL 3 -12.380 2.551 -3.750 36 HG22 VAL 3 HG22 VAL 3 -12.466 1.964 -2.069 37 HG23 VAL 3 HG23 VAL 3 -12.575 0.825 -3.409 38 H CYS 4 H CYS 4 -16.704 3.042 -0.783 39 HA CYS 4 HA CYS 4 -15.187 3.945 1.549 40 HB2 CYS 4 HB2 CYS 4 -17.624 4.313 1.184 41 HB3 CYS 4 HB3 CYS 4 -17.896 2.577 1.340 42 H ALA 5 H ALA 5 -15.893 0.840 0.072 43 HA ALA 5 HA ALA 5 -14.621 -0.654 2.328 44 HB1 ALA 5 HB1 ALA 5 -16.844 -1.520 0.442 45 HB2 ALA 5 HB2 ALA 5 -16.087 -2.520 1.700 46 HB3 ALA 5 HB3 ALA 5 -17.019 -1.080 2.156 47 H CYS 6 H CYS 6 -12.507 -0.709 1.623 48 HA CYS 6 HA CYS 6 -11.574 -1.326 -0.949 49 HB2 CYS 6 HB2 CYS 6 -10.523 -1.441 1.903 50 HB3 CYS 6 HB3 CYS 6 -9.533 -1.963 0.574 51 HA PRO 7 HA PRO 7 -12.053 -5.728 -1.196 52 HB2 PRO 7 HB2 PRO 7 -9.928 -6.518 -2.745 53 HB3 PRO 7 HB3 PRO 7 -11.285 -5.535 -3.370 54 HG2 PRO 7 HG2 PRO 7 -8.552 -4.596 -2.491 55 HG3 PRO 7 HG3 PRO 7 -9.496 -4.095 -3.926 56 HD2 PRO 7 HD2 PRO 7 -9.375 -2.699 -1.534 57 HD3 PRO 7 HD3 PRO 7 -10.759 -2.574 -2.641 58 H LYS 8 H LYS 8 -11.474 -7.600 -0.122 59 HA LYS 8 HA LYS 8 -9.450 -7.499 1.965 60 HB2 LYS 8 HB2 LYS 8 -10.440 -9.610 2.644 61 HB3 LYS 8 HB3 LYS 8 -11.684 -8.407 2.368 62 HG2 LYS 8 HG2 LYS 8 -12.277 -9.434 0.223 63 HG3 LYS 8 HG3 LYS 8 -10.934 -10.582 0.355 64 HD2 LYS 8 HD2 LYS 8 -11.917 -11.556 2.380 65 HD3 LYS 8 HD3 LYS 8 -13.258 -10.411 2.332 66 HE2 LYS 8 HE2 LYS 8 -12.625 -12.400 0.101 67 HE3 LYS 8 HE3 LYS 8 -13.715 -12.757 1.444 68 HZ1 LYS 8 HZ1 LYS 8 -15.111 -10.890 0.742 69 HZ2 LYS 8 HZ2 LYS 8 -14.957 -11.969 -0.465 70 HZ3 LYS 8 HZ3 LYS 8 -14.128 -10.569 -0.527 71 H ILE 9 H ILE 9 -8.818 -7.879 -1.070 72 HA ILE 9 HA ILE 9 -7.708 -10.422 -1.492 73 HB ILE 9 HB ILE 9 -8.331 -9.009 -3.258 74 HG12 ILE 9 HG12 ILE 9 -5.367 -9.476 -3.479 75 HG13 ILE 9 HG13 ILE 9 -6.609 -10.732 -3.620 76 HG21 ILE 9 HG21 ILE 9 -7.551 -6.769 -2.245 77 HG22 ILE 9 HG22 ILE 9 -5.912 -7.202 -2.749 78 HG23 ILE 9 HG23 ILE 9 -7.189 -6.966 -3.958 79 HD11 ILE 9 HD11 ILE 9 -5.903 -10.087 -5.837 80 HD12 ILE 9 HD12 ILE 9 -7.571 -9.530 -5.590 81 HD13 ILE 9 HD13 ILE 9 -6.214 -8.375 -5.508 82 H LEU 10 H LEU 10 -5.853 -11.250 -1.441 83 HA LEU 10 HA LEU 10 -3.755 -10.200 0.424 84 HB2 LEU 10 HB2 LEU 10 -4.221 -12.944 -0.794 85 HB3 LEU 10 HB3 LEU 10 -2.769 -12.542 0.119 86 HG LEU 10 HG LEU 10 -5.561 -12.274 1.292 87 HD11 LEU 10 HD11 LEU 10 -3.563 -14.545 1.553 88 HD12 LEU 10 HD12 LEU 10 -5.125 -14.617 0.710 89 HD13 LEU 10 HD13 LEU 10 -5.080 -14.386 2.466 90 HD21 LEU 10 HD21 LEU 10 -4.331 -12.314 3.450 91 HD22 LEU 10 HD22 LEU 10 -3.854 -10.933 2.473 92 HD23 LEU 10 HD23 LEU 10 -2.799 -12.349 2.569 93 H LYS 11 H LYS 11 -3.395 -8.487 -1.151 94 HA LYS 11 HA LYS 11 -0.980 -9.172 -2.734 95 HB2 LYS 11 HB2 LYS 11 -2.930 -9.090 -4.326 96 HB3 LYS 11 HB3 LYS 11 -3.164 -7.397 -3.882 97 HG2 LYS 11 HG2 LYS 11 -0.702 -7.029 -4.599 98 HG3 LYS 11 HG3 LYS 11 -0.736 -8.663 -5.245 99 HD2 LYS 11 HD2 LYS 11 -2.561 -6.349 -6.049 100 HD3 LYS 11 HD3 LYS 11 -1.154 -6.884 -6.956 101 HE2 LYS 11 HE2 LYS 11 -3.622 -8.602 -6.420 102 HE3 LYS 11 HE3 LYS 11 -3.360 -7.647 -7.880 103 HZ1 LYS 11 HZ1 LYS 11 -1.353 -8.967 -8.312 104 HZ2 LYS 11 HZ2 LYS 11 -2.669 -9.923 -8.243 105 HZ3 LYS 11 HZ3 LYS 11 -1.623 -9.891 -6.991 106 HA PRO 12 HA PRO 12 -0.565 -5.569 0.153 107 HB2 PRO 12 HB2 PRO 12 1.754 -6.343 1.425 108 HB3 PRO 12 HB3 PRO 12 0.112 -6.836 1.935 109 HG2 PRO 12 HG2 PRO 12 2.097 -8.391 0.286 110 HG3 PRO 12 HG3 PRO 12 1.056 -8.953 1.640 111 HD2 PRO 12 HD2 PRO 12 0.423 -9.343 -1.008 112 HD3 PRO 12 HD3 PRO 12 -0.822 -9.112 0.249 113 H VAL 13 H VAL 13 1.243 -4.052 0.362 114 HA VAL 13 HA VAL 13 3.012 -3.817 -2.018 115 HB VAL 13 HB VAL 13 2.147 -1.576 -2.503 116 HG11 VAL 13 HG11 VAL 13 0.216 -2.195 -3.732 117 HG12 VAL 13 HG12 VAL 13 1.257 -3.622 -3.697 118 HG13 VAL 13 HG13 VAL 13 -0.161 -3.541 -2.638 119 HG21 VAL 13 HG21 VAL 13 -0.068 -2.207 -0.500 120 HG22 VAL 13 HG22 VAL 13 1.147 -0.914 -0.374 121 HG23 VAL 13 HG23 VAL 13 -0.075 -0.863 -1.644 122 H CYS 14 H CYS 14 4.616 -2.204 -1.826 123 HA CYS 14 HA CYS 14 5.167 -1.239 0.951 124 HB2 CYS 14 HB2 CYS 14 6.959 -2.448 -0.526 125 HB3 CYS 14 HB3 CYS 14 7.021 -0.942 -1.428 126 H GLY 15 H GLY 15 4.330 0.761 1.377 127 HA2 GLY 15 HA2 GLY 15 3.546 2.672 -0.726 128 HA3 GLY 15 HA3 GLY 15 3.469 2.926 1.006 129 H SER 16 H SER 16 4.376 4.882 -0.865 130 HA SER 16 HA SER 16 7.214 4.985 -1.103 131 HB2 SER 16 HB2 SER 16 5.408 6.339 -2.330 132 HB3 SER 16 HB3 SER 16 5.479 7.450 -0.946 133 HG SER 16 HG SER 16 6.911 8.048 -2.651 134 H ASP 17 H ASP 17 5.271 5.700 1.670 135 HA ASP 17 HA ASP 17 7.276 7.145 3.224 136 HB2 ASP 17 HB2 ASP 17 4.604 5.852 3.739 137 HB3 ASP 17 HB3 ASP 17 5.667 6.087 5.111 138 H GLY 18 H GLY 18 7.316 3.932 2.164 139 HA2 GLY 18 HA2 GLY 18 9.002 2.379 2.565 140 HA3 GLY 18 HA3 GLY 18 9.532 3.285 3.981 141 H ARG 19 H ARG 19 6.184 2.405 3.738 142 HA ARG 19 HA ARG 19 6.484 0.213 5.770 143 HB2 ARG 19 HB2 ARG 19 5.615 2.454 6.593 144 HB3 ARG 19 HB3 ARG 19 4.189 2.199 5.585 145 HG2 ARG 19 HG2 ARG 19 3.476 0.321 6.891 146 HG3 ARG 19 HG3 ARG 19 5.029 0.219 7.741 147 HD2 ARG 19 HD2 ARG 19 3.109 2.578 7.928 148 HD3 ARG 19 HD3 ARG 19 3.137 1.220 9.066 149 HE ARG 19 HE ARG 19 5.774 2.206 8.954 150 HH11 ARG 19 HH11 ARG 19 2.705 3.421 10.092 151 HH12 ARG 19 HH12 ARG 19 3.449 4.458 11.278 152 HH21 ARG 19 HH21 ARG 19 6.670 3.544 10.463 153 HH22 ARG 19 HH22 ARG 19 5.646 4.517 11.474 154 H THR 20 H THR 20 4.667 -1.240 5.850 155 HA THR 20 HA THR 20 3.680 -1.983 3.114 156 HB THR 20 HB THR 20 4.396 -3.858 5.391 157 HG1 THR 20 HG1 THR 20 6.166 -4.360 4.153 158 HG21 THR 20 HG21 THR 20 2.683 -4.808 3.846 159 HG22 THR 20 HG22 THR 20 4.230 -5.629 3.695 160 HG23 THR 20 HG23 THR 20 3.741 -4.442 2.467 161 H TYR 21 H TYR 21 1.527 -2.156 2.812 162 HA TYR 21 HA TYR 21 -0.247 -2.596 5.135 163 HB2 TYR 21 HB2 TYR 21 -0.935 -1.061 2.634 164 HB3 TYR 21 HB3 TYR 21 -1.728 -1.113 4.204 165 HD1 TYR 21 HD2 TYR 21 1.130 0.336 2.339 166 HD2 TYR 21 HD1 TYR 21 -1.171 0.373 5.995 167 HE1 TYR 21 HE2 TYR 21 2.174 2.501 2.976 168 HE2 TYR 21 HE1 TYR 21 -0.123 2.553 6.619 169 HH TYR 21 HH TYR 21 2.222 4.217 4.496 170 H ALA 22 H ALA 22 -2.419 -3.490 4.357 171 HA ALA 22 HA ALA 22 -1.816 -6.102 3.432 172 HB1 ALA 22 HB1 ALA 22 -4.241 -6.471 3.741 173 HB2 ALA 22 HB2 ALA 22 -3.584 -5.511 5.078 174 HB3 ALA 22 HB3 ALA 22 -4.523 -4.726 3.786 175 H ASN 23 H ASN 23 -3.095 -3.367 1.608 176 HA ASN 23 HA ASN 23 -2.612 -4.589 -0.913 177 HB2 ASN 23 HB2 ASN 23 -5.024 -4.302 -1.728 178 HB3 ASN 23 HB3 ASN 23 -4.600 -5.779 -0.839 179 HD21 ASN 23 HD21 ASN 23 -6.905 -3.250 -1.001 180 HD22 ASN 23 HD22 ASN 23 -7.629 -3.716 0.538 181 H SER 24 H SER 24 -3.405 -3.160 -2.731 182 HA SER 24 HA SER 24 -2.253 -0.753 -2.325 183 HB2 SER 24 HB2 SER 24 -4.214 -1.363 -4.581 184 HB3 SER 24 HB3 SER 24 -3.021 -0.044 -4.577 185 HG SER 24 HG SER 24 -2.635 -2.804 -4.887 186 H CYS 25 H CYS 25 -5.699 -1.297 -2.442 187 HA CYS 25 HA CYS 25 -6.805 1.272 -2.300 188 HB2 CYS 25 HB2 CYS 25 -7.844 -1.037 -2.502 189 HB3 CYS 25 HB3 CYS 25 -7.784 -1.153 -0.760 190 H ILE 26 H ILE 26 -5.765 -0.758 0.256 191 HA ILE 26 HA ILE 26 -6.409 1.094 2.436 192 HB ILE 26 HB ILE 26 -5.945 -1.650 2.379 193 HG12 ILE 26 HG12 ILE 26 -6.032 -1.528 4.902 194 HG13 ILE 26 HG13 ILE 26 -5.867 0.219 4.791 195 HG21 ILE 26 HG21 ILE 26 -3.486 -1.362 2.449 196 HG22 ILE 26 HG22 ILE 26 -3.701 -0.515 4.009 197 HG23 ILE 26 HG23 ILE 26 -4.162 -2.223 3.832 198 HD11 ILE 26 HD11 ILE 26 -8.231 -0.506 5.139 199 HD12 ILE 26 HD12 ILE 26 -8.071 0.337 3.594 200 HD13 ILE 26 HD13 ILE 26 -8.173 -1.436 3.631 201 H ALA 27 H ALA 27 -3.421 0.263 0.793 202 HA ALA 27 HA ALA 27 -1.662 1.979 2.247 203 HB1 ALA 27 HB1 ALA 27 -0.924 0.239 0.654 204 HB2 ALA 27 HB2 ALA 27 -1.520 1.215 -0.700 205 HB3 ALA 27 HB3 ALA 27 -0.189 1.815 0.306 206 H ARG 28 H ARG 28 -3.441 2.701 -0.789 207 HA ARG 28 HA ARG 28 -2.738 5.468 -0.933 208 HB2 ARG 28 HB2 ARG 28 -4.484 5.740 -2.533 209 HB3 ARG 28 HB3 ARG 28 -3.647 4.216 -2.840 210 HG2 ARG 28 HG2 ARG 28 -5.483 2.942 -1.925 211 HG3 ARG 28 HG3 ARG 28 -6.265 4.375 -1.295 212 HD2 ARG 28 HD2 ARG 28 -6.442 5.207 -3.731 213 HD3 ARG 28 HD3 ARG 28 -5.969 3.572 -4.204 214 HE ARG 28 HE ARG 28 -8.115 2.845 -3.712 215 HH11 ARG 28 HH11 ARG 28 -7.792 5.966 -2.169 216 HH12 ARG 28 HH12 ARG 28 -9.391 5.905 -1.489 217 HH21 ARG 28 HH21 ARG 28 -10.142 2.825 -2.816 218 HH22 ARG 28 HH22 ARG 28 -10.688 4.167 -1.860 219 H CYS 29 H CYS 29 -5.228 3.978 0.950 220 HA CYS 29 HA CYS 29 -6.868 6.175 1.579 221 HB2 CYS 29 HB2 CYS 29 -7.097 3.685 2.149 222 HB3 CYS 29 HB3 CYS 29 -6.096 4.006 3.561 223 H ASN 30 H ASN 30 -3.701 5.368 2.919 224 HA ASN 30 HA ASN 30 -3.687 7.401 5.014 225 HB2 ASN 30 HB2 ASN 30 -1.742 5.397 3.823 226 HB3 ASN 30 HB3 ASN 30 -1.116 6.745 4.748 227 HD21 ASN 30 HD21 ASN 30 -2.965 3.734 4.999 228 HD22 ASN 30 HD22 ASN 30 -3.016 3.788 6.753 229 H GLY 31 H GLY 31 -3.614 7.836 1.681 230 HA2 GLY 31 HA2 GLY 31 -3.462 9.886 0.605 231 HA3 GLY 31 HA3 GLY 31 -2.613 10.583 1.980 232 H VAL 32 H VAL 32 -1.230 7.634 0.889 233 HA VAL 32 HA VAL 32 0.808 8.998 -0.817 234 HB VAL 32 HB VAL 32 1.633 6.784 1.007 235 HG11 VAL 32 HG11 VAL 32 3.832 7.896 0.834 236 HG12 VAL 32 HG12 VAL 32 3.187 7.439 -0.740 237 HG13 VAL 32 HG13 VAL 32 3.112 9.134 -0.209 238 HG21 VAL 32 HG21 VAL 32 0.723 8.405 2.624 239 HG22 VAL 32 HG22 VAL 32 2.484 8.447 2.673 240 HG23 VAL 32 HG23 VAL 32 1.599 9.728 1.811 241 H SER 33 H SER 33 1.790 7.709 -2.412 242 HA SER 33 HA SER 33 0.093 5.606 -3.526 243 HB2 SER 33 HB2 SER 33 1.994 5.836 -5.303 244 HB3 SER 33 HB3 SER 33 0.792 7.110 -5.131 245 HG SER 33 HG SER 33 2.938 7.941 -5.256 246 H ILE 34 H ILE 34 1.032 3.613 -4.395 247 HA ILE 34 HA ILE 34 2.812 2.235 -2.648 248 HB ILE 34 HB ILE 34 2.320 0.402 -3.896 249 HG12 ILE 34 HG12 ILE 34 0.685 0.614 -5.994 250 HG13 ILE 34 HG13 ILE 34 1.576 2.115 -6.238 251 HG21 ILE 34 HG21 ILE 34 -0.266 1.968 -3.964 252 HG22 ILE 34 HG22 ILE 34 -0.062 0.223 -3.790 253 HG23 ILE 34 HG23 ILE 34 0.489 1.304 -2.497 254 HD11 ILE 34 HD11 ILE 34 3.707 0.708 -6.237 255 HD12 ILE 34 HD12 ILE 34 2.683 -0.729 -6.042 256 HD13 ILE 34 HD13 ILE 34 2.560 0.259 -7.508 257 H LYS 35 H LYS 35 4.964 2.200 -2.752 258 HA LYS 35 HA LYS 35 6.537 3.482 -4.847 259 HB2 LYS 35 HB2 LYS 35 7.032 3.156 -2.285 260 HB3 LYS 35 HB3 LYS 35 7.501 1.530 -2.725 261 HG2 LYS 35 HG2 LYS 35 8.871 3.167 -4.591 262 HG3 LYS 35 HG3 LYS 35 8.868 4.109 -3.117 263 HD2 LYS 35 HD2 LYS 35 10.833 2.875 -2.922 264 HD3 LYS 35 HD3 LYS 35 9.699 1.968 -1.914 265 HE2 LYS 35 HE2 LYS 35 10.883 0.344 -3.197 266 HE3 LYS 35 HE3 LYS 35 9.271 0.429 -3.920 267 HZ1 LYS 35 HZ1 LYS 35 11.048 0.446 -5.603 268 HZ2 LYS 35 HZ2 LYS 35 11.714 1.799 -4.970 269 HZ3 LYS 35 HZ3 LYS 35 10.235 1.856 -5.668 270 H SER 36 H SER 36 5.713 0.187 -3.875 271 HA SER 36 HA SER 36 5.938 -0.824 -6.593 272 HB2 SER 36 HB2 SER 36 7.454 -2.762 -5.868 273 HB3 SER 36 HB3 SER 36 8.205 -1.187 -6.153 274 HG SER 36 HG SER 36 7.611 -2.432 -3.655 275 H GLU 37 H GLU 37 5.158 -3.000 -6.832 276 HA GLU 37 HA GLU 37 2.950 -3.740 -5.101 277 HB2 GLU 37 HB2 GLU 37 4.261 -5.197 -7.408 278 HB3 GLU 37 HB3 GLU 37 2.704 -5.558 -6.714 279 HG2 GLU 37 HG2 GLU 37 3.379 -3.007 -8.243 280 HG3 GLU 37 HG3 GLU 37 2.604 -4.426 -8.923 281 H GLY 38 H GLY 38 2.863 -5.627 -3.846 282 HA2 GLY 38 HA2 GLY 38 3.588 -7.542 -2.740 283 HA3 GLY 38 HA3 GLY 38 5.195 -7.387 -3.454 284 H SER 39 H SER 39 4.642 -7.877 -0.749 285 HA SER 39 HA SER 39 5.234 -5.592 0.950 286 HB2 SER 39 HB2 SER 39 4.533 -7.765 1.860 287 HB3 SER 39 HB3 SER 39 6.066 -8.490 1.301 288 HG SER 39 HG SER 39 6.165 -7.879 3.502 289 H CYS 40 H CYS 40 7.178 -4.850 1.689 290 HA CYS 40 HA CYS 40 9.407 -5.117 -0.256 291 HB2 CYS 40 HB2 CYS 40 10.284 -3.009 0.978 292 HB3 CYS 40 HB3 CYS 40 9.010 -2.963 -0.212 293 HA PRO 41 HA PRO 41 12.186 -7.137 2.492 294 HB2 PRO 41 HB2 PRO 41 14.630 -6.197 1.673 295 HB3 PRO 41 HB3 PRO 41 13.617 -7.292 0.686 296 HG2 PRO 41 HG2 PRO 41 13.821 -4.267 0.498 297 HG3 PRO 41 HG3 PRO 41 13.913 -5.469 -0.831 298 HD2 PRO 41 HD2 PRO 41 11.584 -4.157 -0.257 299 HD3 PRO 41 HD3 PRO 41 11.578 -5.865 -0.754 300 H THR 42 H THR 42 13.035 -6.877 4.502 301 HA THR 42 HA THR 42 12.770 -4.386 5.876 302 HB THR 42 HB THR 42 14.211 -6.679 7.170 303 HG1 THR 42 HG1 THR 42 12.249 -7.795 7.384 304 HG21 THR 42 HG21 THR 42 11.742 -5.050 7.959 305 HG22 THR 42 HG22 THR 42 13.398 -4.709 8.500 306 HG23 THR 42 HG23 THR 42 12.607 -6.212 8.987 307 H GLY 43 H GLY 43 15.187 -4.931 3.861 308 HA2 GLY 43 HA2 GLY 43 17.234 -3.700 3.707 309 HA3 GLY 43 HA3 GLY 43 17.313 -3.571 5.459 310 H ILE 44 H ILE 44 16.605 -6.668 4.066 311 HA ILE 44 HA ILE 44 18.699 -8.116 5.273 312 HB ILE 44 HB ILE 44 18.030 -9.986 3.842 313 HG12 ILE 44 HG12 ILE 44 16.082 -8.070 2.474 314 HG13 ILE 44 HG13 ILE 44 17.559 -8.698 1.741 315 HG21 ILE 44 HG21 ILE 44 16.808 -9.328 5.937 316 HG22 ILE 44 HG22 ILE 44 15.614 -8.470 4.940 317 HG23 ILE 44 HG23 ILE 44 15.812 -10.225 4.793 318 HD11 ILE 44 HD11 ILE 44 15.150 -10.347 2.579 319 HD12 ILE 44 HD12 ILE 44 15.708 -9.994 0.938 320 HD13 ILE 44 HD13 ILE 44 16.692 -11.023 1.996 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -11.346 11.782 -4.686 2 H2 LYS 1 H2 LYS 1 -12.821 12.402 -5.033 3 H3 LYS 1 H3 LYS 1 -12.440 12.019 -3.493 4 HA LYS 1 HA LYS 1 -13.910 10.346 -4.404 5 HB2 LYS 1 HB2 LYS 1 -13.125 10.788 -6.777 6 HB3 LYS 1 HB3 LYS 1 -11.692 9.816 -6.429 7 HG2 LYS 1 HG2 LYS 1 -13.280 7.897 -5.827 8 HG3 LYS 1 HG3 LYS 1 -14.608 8.901 -6.417 9 HD2 LYS 1 HD2 LYS 1 -12.200 7.938 -8.032 10 HD3 LYS 1 HD3 LYS 1 -13.835 7.269 -8.096 11 HE2 LYS 1 HE2 LYS 1 -14.696 9.465 -8.917 12 HE3 LYS 1 HE3 LYS 1 -13.049 10.108 -8.896 13 HZ1 LYS 1 HZ1 LYS 1 -12.434 8.397 -10.527 14 HZ2 LYS 1 HZ2 LYS 1 -13.639 9.331 -11.107 15 HZ3 LYS 1 HZ3 LYS 1 -13.966 7.828 -10.563 16 H LYS 2 H LYS 2 -13.852 8.718 -2.955 17 HA LYS 2 HA LYS 2 -11.452 7.080 -2.601 18 HB2 LYS 2 HB2 LYS 2 -11.412 7.181 -0.180 19 HB3 LYS 2 HB3 LYS 2 -11.000 8.722 -0.889 20 HG2 LYS 2 HG2 LYS 2 -13.771 8.113 0.252 21 HG3 LYS 2 HG3 LYS 2 -12.421 8.710 1.210 22 HD2 LYS 2 HD2 LYS 2 -12.268 10.699 -0.382 23 HD3 LYS 2 HD3 LYS 2 -13.838 10.177 -1.038 24 HE2 LYS 2 HE2 LYS 2 -14.827 10.312 1.235 25 HE3 LYS 2 HE3 LYS 2 -13.264 10.825 1.884 26 HZ1 LYS 2 HZ1 LYS 2 -14.862 12.342 -0.113 27 HZ2 LYS 2 HZ2 LYS 2 -13.401 12.808 0.462 28 HZ3 LYS 2 HZ3 LYS 2 -14.688 12.733 1.458 29 H VAL 3 H VAL 3 -11.818 5.088 -1.591 30 HA VAL 3 HA VAL 3 -14.451 3.954 -2.283 31 HB VAL 3 HB VAL 3 -11.977 2.534 -1.253 32 HG11 VAL 3 HG11 VAL 3 -14.430 1.503 -2.744 33 HG12 VAL 3 HG12 VAL 3 -12.982 0.548 -2.361 34 HG13 VAL 3 HG13 VAL 3 -13.989 1.158 -1.055 35 HG21 VAL 3 HG21 VAL 3 -11.564 1.928 -3.642 36 HG22 VAL 3 HG22 VAL 3 -12.882 3.013 -4.132 37 HG23 VAL 3 HG23 VAL 3 -11.408 3.662 -3.377 38 H CYS 4 H CYS 4 -15.975 3.431 -0.894 39 HA CYS 4 HA CYS 4 -15.810 4.116 1.923 40 HB2 CYS 4 HB2 CYS 4 -17.990 2.672 0.367 41 HB3 CYS 4 HB3 CYS 4 -18.147 3.332 1.991 42 H ALA 5 H ALA 5 -15.692 1.047 0.179 43 HA ALA 5 HA ALA 5 -14.827 -0.383 2.637 44 HB1 ALA 5 HB1 ALA 5 -17.230 -0.817 2.443 45 HB2 ALA 5 HB2 ALA 5 -17.028 -1.334 0.753 46 HB3 ALA 5 HB3 ALA 5 -16.300 -2.283 2.069 47 H CYS 6 H CYS 6 -12.681 -0.459 1.920 48 HA CYS 6 HA CYS 6 -11.796 -1.150 -0.650 49 HB2 CYS 6 HB2 CYS 6 -10.659 -1.075 2.163 50 HB3 CYS 6 HB3 CYS 6 -9.704 -1.743 0.880 51 HA PRO 7 HA PRO 7 -12.121 -5.591 -0.736 52 HB2 PRO 7 HB2 PRO 7 -10.096 -6.312 -2.406 53 HB3 PRO 7 HB3 PRO 7 -11.485 -5.348 -2.970 54 HG2 PRO 7 HG2 PRO 7 -8.731 -4.380 -2.172 55 HG3 PRO 7 HG3 PRO 7 -9.704 -3.911 -3.603 56 HD2 PRO 7 HD2 PRO 7 -9.580 -2.490 -1.231 57 HD3 PRO 7 HD3 PRO 7 -10.984 -2.403 -2.322 58 H LYS 8 H LYS 8 -10.854 -7.603 -0.339 59 HA LYS 8 HA LYS 8 -8.865 -7.283 1.864 60 HB2 LYS 8 HB2 LYS 8 -11.464 -8.038 2.141 61 HB3 LYS 8 HB3 LYS 8 -10.751 -9.613 1.812 62 HG2 LYS 8 HG2 LYS 8 -9.004 -8.942 3.668 63 HG3 LYS 8 HG3 LYS 8 -10.093 -7.594 3.984 64 HD2 LYS 8 HD2 LYS 8 -10.950 -9.022 5.520 65 HD3 LYS 8 HD3 LYS 8 -11.920 -9.583 4.164 66 HE2 LYS 8 HE2 LYS 8 -9.296 -10.799 5.174 67 HE3 LYS 8 HE3 LYS 8 -10.909 -11.420 5.522 68 HZ1 LYS 8 HZ1 LYS 8 -9.906 -12.658 3.724 69 HZ2 LYS 8 HZ2 LYS 8 -9.651 -11.318 2.831 70 HZ3 LYS 8 HZ3 LYS 8 -11.182 -11.841 3.126 71 H ILE 9 H ILE 9 -8.434 -7.907 -1.047 72 HA ILE 9 HA ILE 9 -7.546 -10.635 -1.352 73 HB ILE 9 HB ILE 9 -6.436 -8.268 -2.862 74 HG12 ILE 9 HG12 ILE 9 -8.955 -9.793 -3.692 75 HG13 ILE 9 HG13 ILE 9 -9.002 -8.223 -2.904 76 HG21 ILE 9 HG21 ILE 9 -6.180 -9.903 -4.716 77 HG22 ILE 9 HG22 ILE 9 -5.288 -10.390 -3.299 78 HG23 ILE 9 HG23 ILE 9 -6.844 -11.175 -3.674 79 HD11 ILE 9 HD11 ILE 9 -7.632 -7.250 -4.768 80 HD12 ILE 9 HD12 ILE 9 -7.848 -8.785 -5.646 81 HD13 ILE 9 HD13 ILE 9 -9.257 -7.808 -5.218 82 H LEU 10 H LEU 10 -5.562 -11.466 -1.169 83 HA LEU 10 HA LEU 10 -3.534 -10.158 0.581 84 HB2 LEU 10 HB2 LEU 10 -3.779 -12.970 -0.541 85 HB3 LEU 10 HB3 LEU 10 -2.381 -12.420 0.381 86 HG LEU 10 HG LEU 10 -5.217 -12.337 1.501 87 HD11 LEU 10 HD11 LEU 10 -4.593 -14.656 0.985 88 HD12 LEU 10 HD12 LEU 10 -4.604 -14.380 2.734 89 HD13 LEU 10 HD13 LEU 10 -3.057 -14.455 1.858 90 HD21 LEU 10 HD21 LEU 10 -2.461 -12.170 2.813 91 HD22 LEU 10 HD22 LEU 10 -4.010 -12.241 3.678 92 HD23 LEU 10 HD23 LEU 10 -3.634 -10.842 2.669 93 H LYS 11 H LYS 11 -3.343 -8.493 -1.122 94 HA LYS 11 HA LYS 11 -0.910 -9.122 -2.715 95 HB2 LYS 11 HB2 LYS 11 -2.756 -9.225 -4.311 96 HB3 LYS 11 HB3 LYS 11 -3.306 -7.622 -3.840 97 HG2 LYS 11 HG2 LYS 11 -2.053 -7.713 -5.997 98 HG3 LYS 11 HG3 LYS 11 -1.380 -6.571 -4.848 99 HD2 LYS 11 HD2 LYS 11 0.441 -8.128 -4.287 100 HD3 LYS 11 HD3 LYS 11 -0.293 -9.384 -5.314 101 HE2 LYS 11 HE2 LYS 11 -0.002 -7.897 -7.292 102 HE3 LYS 11 HE3 LYS 11 0.746 -6.672 -6.260 103 HZ1 LYS 11 HZ1 LYS 11 2.524 -8.278 -5.765 104 HZ2 LYS 11 HZ2 LYS 11 2.414 -8.062 -7.383 105 HZ3 LYS 11 HZ3 LYS 11 1.817 -9.414 -6.701 106 HA PRO 12 HA PRO 12 -0.511 -5.443 0.036 107 HB2 PRO 12 HB2 PRO 12 1.845 -6.128 1.274 108 HB3 PRO 12 HB3 PRO 12 0.235 -6.681 1.826 109 HG2 PRO 12 HG2 PRO 12 2.244 -8.165 0.155 110 HG3 PRO 12 HG3 PRO 12 1.275 -8.739 1.560 111 HD2 PRO 12 HD2 PRO 12 0.553 -9.219 -1.059 112 HD3 PRO 12 HD3 PRO 12 -0.650 -8.999 0.245 113 H VAL 13 H VAL 13 1.208 -3.857 0.092 114 HA VAL 13 HA VAL 13 3.100 -3.792 -2.183 115 HB VAL 13 HB VAL 13 2.302 -1.655 -3.008 116 HG11 VAL 13 HG11 VAL 13 0.419 -2.377 -4.267 117 HG12 VAL 13 HG12 VAL 13 1.438 -3.800 -4.001 118 HG13 VAL 13 HG13 VAL 13 -0.040 -3.581 -3.049 119 HG21 VAL 13 HG21 VAL 13 1.214 -0.635 -1.150 120 HG22 VAL 13 HG22 VAL 13 -0.018 -0.864 -2.396 121 HG23 VAL 13 HG23 VAL 13 0.031 -1.961 -1.010 122 H CYS 14 H CYS 14 4.763 -2.446 -1.906 123 HA CYS 14 HA CYS 14 5.245 -1.395 0.831 124 HB2 CYS 14 HB2 CYS 14 7.052 -2.660 -0.577 125 HB3 CYS 14 HB3 CYS 14 7.188 -1.156 -1.482 126 H GLY 15 H GLY 15 4.545 0.628 1.296 127 HA2 GLY 15 HA2 GLY 15 3.779 2.538 -0.826 128 HA3 GLY 15 HA3 GLY 15 3.578 2.735 0.909 129 H SER 16 H SER 16 4.468 4.793 -0.747 130 HA SER 16 HA SER 16 7.336 5.054 -0.777 131 HB2 SER 16 HB2 SER 16 5.257 7.265 -0.851 132 HB3 SER 16 HB3 SER 16 6.954 7.388 -1.331 133 HG SER 16 HG SER 16 4.945 5.751 -2.531 134 H ASP 17 H ASP 17 5.217 5.277 1.869 135 HA ASP 17 HA ASP 17 6.748 7.114 3.532 136 HB2 ASP 17 HB2 ASP 17 4.262 6.650 3.657 137 HB3 ASP 17 HB3 ASP 17 4.645 5.068 4.330 138 H GLY 18 H GLY 18 7.337 3.873 2.619 139 HA2 GLY 18 HA2 GLY 18 9.370 2.784 3.180 140 HA3 GLY 18 HA3 GLY 18 9.433 3.623 4.720 141 H ARG 19 H ARG 19 6.402 2.137 4.016 142 HA ARG 19 HA ARG 19 7.043 -0.423 5.390 143 HB2 ARG 19 HB2 ARG 19 6.247 1.412 7.017 144 HB3 ARG 19 HB3 ARG 19 4.670 1.293 6.236 145 HG2 ARG 19 HG2 ARG 19 4.377 -0.977 6.997 146 HG3 ARG 19 HG3 ARG 19 6.070 -1.112 7.496 147 HD2 ARG 19 HD2 ARG 19 4.060 0.817 8.727 148 HD3 ARG 19 HD3 ARG 19 4.402 -0.802 9.362 149 HE ARG 19 HE ARG 19 6.903 0.405 9.182 150 HH11 ARG 19 HH11 ARG 19 3.995 1.149 10.973 151 HH12 ARG 19 HH12 ARG 19 4.874 1.947 12.249 152 HH21 ARG 19 HH21 ARG 19 7.967 1.426 10.823 153 HH22 ARG 19 HH22 ARG 19 7.073 2.089 12.158 154 H THR 20 H THR 20 5.106 -1.916 5.291 155 HA THR 20 HA THR 20 3.719 -1.679 2.644 156 HB THR 20 HB THR 20 5.330 -3.569 2.869 157 HG1 THR 20 HG1 THR 20 2.663 -4.456 2.603 158 HG21 THR 20 HG21 THR 20 4.934 -4.259 5.219 159 HG22 THR 20 HG22 THR 20 4.669 -5.587 4.076 160 HG23 THR 20 HG23 THR 20 3.281 -4.765 4.788 161 H TYR 21 H TYR 21 1.526 -2.156 2.436 162 HA TYR 21 HA TYR 21 -0.060 -2.512 4.913 163 HB2 TYR 21 HB2 TYR 21 -0.983 -1.079 2.425 164 HB3 TYR 21 HB3 TYR 21 -1.642 -1.094 4.060 165 HD1 TYR 21 HD2 TYR 21 1.017 0.328 1.897 166 HD2 TYR 21 HD1 TYR 21 -0.998 0.520 5.712 167 HE1 TYR 21 HE2 TYR 21 1.983 2.593 2.315 168 HE2 TYR 21 HE1 TYR 21 -0.005 2.764 6.123 169 HH TYR 21 HH TYR 21 1.316 4.441 5.288 170 H ALA 22 H ALA 22 -2.367 -3.376 4.192 171 HA ALA 22 HA ALA 22 -1.767 -6.031 3.332 172 HB1 ALA 22 HB1 ALA 22 -4.468 -4.653 3.763 173 HB2 ALA 22 HB2 ALA 22 -4.181 -6.404 3.733 174 HB3 ALA 22 HB3 ALA 22 -3.478 -5.420 5.032 175 H ASN 23 H ASN 23 -3.299 -3.368 1.558 176 HA ASN 23 HA ASN 23 -2.728 -4.556 -0.967 177 HB2 ASN 23 HB2 ASN 23 -5.240 -4.338 -1.702 178 HB3 ASN 23 HB3 ASN 23 -4.608 -5.843 -1.043 179 HD21 ASN 23 HD21 ASN 23 -6.292 -2.834 0.138 180 HD22 ASN 23 HD22 ASN 23 -7.309 -3.794 1.223 181 H SER 24 H SER 24 -3.496 -3.183 -2.810 182 HA SER 24 HA SER 24 -2.456 -0.775 -2.363 183 HB2 SER 24 HB2 SER 24 -4.302 -1.414 -4.690 184 HB3 SER 24 HB3 SER 24 -3.046 -0.158 -4.670 185 HG SER 24 HG SER 24 -2.321 -2.113 -5.648 186 H CYS 25 H CYS 25 -5.884 -1.372 -2.296 187 HA CYS 25 HA CYS 25 -6.992 1.234 -2.334 188 HB2 CYS 25 HB2 CYS 25 -8.038 -1.081 -2.367 189 HB3 CYS 25 HB3 CYS 25 -7.940 -1.093 -0.630 190 H ILE 26 H ILE 26 -5.821 -0.641 0.279 191 HA ILE 26 HA ILE 26 -6.375 1.357 2.387 192 HB ILE 26 HB ILE 26 -6.029 -1.369 2.584 193 HG12 ILE 26 HG12 ILE 26 -5.736 -0.964 5.092 194 HG13 ILE 26 HG13 ILE 26 -5.569 0.747 4.736 195 HG21 ILE 26 HG21 ILE 26 -4.123 -1.944 3.845 196 HG22 ILE 26 HG22 ILE 26 -3.580 -1.270 2.311 197 HG23 ILE 26 HG23 ILE 26 -3.527 -0.266 3.786 198 HD11 ILE 26 HD11 ILE 26 -8.022 -0.996 4.149 199 HD12 ILE 26 HD12 ILE 26 -7.866 0.169 5.479 200 HD13 ILE 26 HD13 ILE 26 -7.916 0.746 3.805 201 H ALA 27 H ALA 27 -3.546 0.246 0.655 202 HA ALA 27 HA ALA 27 -1.607 1.962 1.814 203 HB1 ALA 27 HB1 ALA 27 -1.140 0.006 0.331 204 HB2 ALA 27 HB2 ALA 27 -1.675 0.973 -1.063 205 HB3 ALA 27 HB3 ALA 27 -0.251 1.470 -0.132 206 H ARG 28 H ARG 28 -3.973 2.705 -0.696 207 HA ARG 28 HA ARG 28 -2.950 5.462 -1.067 208 HB2 ARG 28 HB2 ARG 28 -4.675 5.753 -2.698 209 HB3 ARG 28 HB3 ARG 28 -3.836 4.230 -3.001 210 HG2 ARG 28 HG2 ARG 28 -5.709 2.975 -2.031 211 HG3 ARG 28 HG3 ARG 28 -6.532 4.462 -1.577 212 HD2 ARG 28 HD2 ARG 28 -7.619 3.706 -3.507 213 HD3 ARG 28 HD3 ARG 28 -6.637 5.093 -4.008 214 HE ARG 28 HE ARG 28 -5.125 2.697 -4.406 215 HH11 ARG 28 HH11 ARG 28 -7.908 4.280 -5.814 216 HH12 ARG 28 HH12 ARG 28 -7.694 3.509 -7.360 217 HH21 ARG 28 HH21 ARG 28 -4.891 1.746 -6.418 218 HH22 ARG 28 HH22 ARG 28 -6.033 2.106 -7.675 219 H CYS 29 H CYS 29 -5.541 3.954 0.721 220 HA CYS 29 HA CYS 29 -7.271 6.056 1.181 221 HB2 CYS 29 HB2 CYS 29 -7.538 3.681 1.883 222 HB3 CYS 29 HB3 CYS 29 -6.438 3.961 3.226 223 H ASN 30 H ASN 30 -4.299 5.406 3.006 224 HA ASN 30 HA ASN 30 -4.500 7.562 4.886 225 HB2 ASN 30 HB2 ASN 30 -2.195 6.891 5.371 226 HB3 ASN 30 HB3 ASN 30 -3.243 5.489 5.258 227 HD21 ASN 30 HD21 ASN 30 -2.495 3.794 3.882 228 HD22 ASN 30 HD22 ASN 30 -1.319 4.157 2.613 229 H GLY 31 H GLY 31 -3.793 7.740 1.541 230 HA2 GLY 31 HA2 GLY 31 -3.687 9.837 0.461 231 HA3 GLY 31 HA3 GLY 31 -2.793 10.527 1.804 232 H VAL 32 H VAL 32 -1.176 7.704 1.350 233 HA VAL 32 HA VAL 32 0.897 8.943 -0.405 234 HB VAL 32 HB VAL 32 1.121 6.436 1.276 235 HG11 VAL 32 HG11 VAL 32 2.962 6.535 -0.262 236 HG12 VAL 32 HG12 VAL 32 3.191 8.282 0.023 237 HG13 VAL 32 HG13 VAL 32 3.572 7.088 1.277 238 HG21 VAL 32 HG21 VAL 32 0.603 8.376 2.781 239 HG22 VAL 32 HG22 VAL 32 2.270 7.869 2.966 240 HG23 VAL 32 HG23 VAL 32 1.889 9.313 2.002 241 H SER 33 H SER 33 2.079 7.394 -1.920 242 HA SER 33 HA SER 33 0.242 5.628 -3.425 243 HB2 SER 33 HB2 SER 33 2.117 6.137 -5.181 244 HB3 SER 33 HB3 SER 33 0.785 7.254 -4.923 245 HG SER 33 HG SER 33 3.500 7.439 -4.066 246 H ILE 34 H ILE 34 1.115 3.727 -4.390 247 HA ILE 34 HA ILE 34 2.906 2.231 -2.796 248 HB ILE 34 HB ILE 34 2.305 0.496 -4.047 249 HG12 ILE 34 HG12 ILE 34 0.995 0.776 -6.348 250 HG13 ILE 34 HG13 ILE 34 1.986 2.218 -6.485 251 HG21 ILE 34 HG21 ILE 34 -0.137 2.216 -4.484 252 HG22 ILE 34 HG22 ILE 34 -0.062 0.465 -4.282 253 HG23 ILE 34 HG23 ILE 34 0.364 1.519 -2.923 254 HD11 ILE 34 HD11 ILE 34 3.009 0.234 -7.580 255 HD12 ILE 34 HD12 ILE 34 4.032 0.747 -6.230 256 HD13 ILE 34 HD13 ILE 34 2.964 -0.657 -6.048 257 H LYS 35 H LYS 35 5.023 2.105 -2.847 258 HA LYS 35 HA LYS 35 6.652 3.474 -4.900 259 HB2 LYS 35 HB2 LYS 35 7.128 3.378 -2.347 260 HB3 LYS 35 HB3 LYS 35 7.668 1.719 -2.630 261 HG2 LYS 35 HG2 LYS 35 9.242 2.684 -4.422 262 HG3 LYS 35 HG3 LYS 35 8.755 4.292 -3.857 263 HD2 LYS 35 HD2 LYS 35 9.574 3.644 -1.547 264 HD3 LYS 35 HD3 LYS 35 10.157 2.114 -2.246 265 HE2 LYS 35 HE2 LYS 35 11.497 3.493 -3.912 266 HE3 LYS 35 HE3 LYS 35 11.017 4.941 -3.021 267 HZ1 LYS 35 HZ1 LYS 35 13.178 4.157 -2.278 268 HZ2 LYS 35 HZ2 LYS 35 12.598 2.678 -1.914 269 HZ3 LYS 35 HZ3 LYS 35 12.122 3.982 -1.046 270 H SER 36 H SER 36 5.948 0.183 -3.793 271 HA SER 36 HA SER 36 6.357 -0.896 -6.484 272 HB2 SER 36 HB2 SER 36 7.852 -2.773 -5.607 273 HB3 SER 36 HB3 SER 36 8.590 -1.201 -5.874 274 HG SER 36 HG SER 36 9.239 -2.071 -3.872 275 H GLU 37 H GLU 37 5.643 -3.099 -6.738 276 HA GLU 37 HA GLU 37 3.309 -3.707 -5.099 277 HB2 GLU 37 HB2 GLU 37 4.460 -5.175 -7.490 278 HB3 GLU 37 HB3 GLU 37 2.862 -5.350 -6.793 279 HG2 GLU 37 HG2 GLU 37 2.356 -2.963 -7.401 280 HG3 GLU 37 HG3 GLU 37 3.900 -2.894 -8.259 281 H GLY 38 H GLY 38 3.016 -5.614 -3.947 282 HA2 GLY 38 HA2 GLY 38 3.554 -7.598 -2.841 283 HA3 GLY 38 HA3 GLY 38 5.197 -7.551 -3.493 284 H SER 39 H SER 39 4.617 -8.002 -0.839 285 HA SER 39 HA SER 39 5.197 -5.739 0.886 286 HB2 SER 39 HB2 SER 39 4.437 -7.886 1.774 287 HB3 SER 39 HB3 SER 39 5.944 -8.662 1.231 288 HG SER 39 HG SER 39 7.046 -7.658 2.805 289 H CYS 40 H CYS 40 7.143 -5.066 1.723 290 HA CYS 40 HA CYS 40 9.458 -5.373 -0.111 291 HB2 CYS 40 HB2 CYS 40 10.272 -3.254 1.145 292 HB3 CYS 40 HB3 CYS 40 9.075 -3.220 -0.125 293 HA PRO 41 HA PRO 41 12.067 -7.228 2.995 294 HB2 PRO 41 HB2 PRO 41 14.549 -6.397 2.222 295 HB3 PRO 41 HB3 PRO 41 13.566 -7.523 1.239 296 HG2 PRO 41 HG2 PRO 41 13.829 -4.514 0.908 297 HG3 PRO 41 HG3 PRO 41 13.997 -5.783 -0.348 298 HD2 PRO 41 HD2 PRO 41 11.640 -4.423 0.023 299 HD3 PRO 41 HD3 PRO 41 11.660 -6.143 -0.424 300 H THR 42 H THR 42 13.460 -6.722 4.810 301 HA THR 42 HA THR 42 13.564 -3.874 5.712 302 HB THR 42 HB THR 42 13.061 -4.742 8.000 303 HG1 THR 42 HG1 THR 42 13.280 -6.949 7.618 304 HG21 THR 42 HG21 THR 42 10.633 -4.712 7.713 305 HG22 THR 42 HG22 THR 42 10.805 -5.008 5.971 306 HG23 THR 42 HG23 THR 42 11.391 -3.486 6.680 307 H GLY 43 H GLY 43 15.690 -3.952 4.947 308 HA2 GLY 43 HA2 GLY 43 17.678 -5.413 6.680 309 HA3 GLY 43 HA3 GLY 43 17.956 -4.929 5.018 310 H ILE 44 H ILE 44 16.623 -2.211 5.793 311 HA ILE 44 HA ILE 44 18.525 -0.992 7.643 312 HB ILE 44 HB ILE 44 19.568 -1.062 5.319 313 HG12 ILE 44 HG12 ILE 44 20.540 0.205 7.089 314 HG13 ILE 44 HG13 ILE 44 20.728 0.982 5.530 315 HG21 ILE 44 HG21 ILE 44 17.644 -0.377 3.975 316 HG22 ILE 44 HG22 ILE 44 17.690 1.239 4.705 317 HG23 ILE 44 HG23 ILE 44 19.049 0.670 3.721 318 HD11 ILE 44 HD11 ILE 44 20.332 2.676 7.171 319 HD12 ILE 44 HD12 ILE 44 18.881 2.593 6.158 320 HD13 ILE 44 HD13 ILE 44 18.894 1.863 7.785 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -14.976 8.483 6.754 2 H2 LYS 1 H2 LYS 1 -15.461 9.631 5.700 3 H3 LYS 1 H3 LYS 1 -16.516 8.492 6.192 4 HA LYS 1 HA LYS 1 -15.766 8.017 3.944 5 HB2 LYS 1 HB2 LYS 1 -13.539 9.234 4.425 6 HB3 LYS 1 HB3 LYS 1 -12.976 7.740 5.131 7 HG2 LYS 1 HG2 LYS 1 -12.141 7.768 2.946 8 HG3 LYS 1 HG3 LYS 1 -13.478 6.619 2.862 9 HD2 LYS 1 HD2 LYS 1 -14.892 8.264 1.728 10 HD3 LYS 1 HD3 LYS 1 -13.770 9.569 2.127 11 HE2 LYS 1 HE2 LYS 1 -13.446 9.108 -0.168 12 HE3 LYS 1 HE3 LYS 1 -12.023 8.527 0.695 13 HZ1 LYS 1 HZ1 LYS 1 -12.809 6.929 -0.967 14 HZ2 LYS 1 HZ2 LYS 1 -14.268 6.820 -0.252 15 HZ3 LYS 1 HZ3 LYS 1 -12.926 6.266 0.520 16 H LYS 2 H LYS 2 -17.315 6.445 4.893 17 HA LYS 2 HA LYS 2 -16.036 3.829 5.690 18 HB2 LYS 2 HB2 LYS 2 -18.559 5.068 6.859 19 HB3 LYS 2 HB3 LYS 2 -17.914 3.467 7.231 20 HG2 LYS 2 HG2 LYS 2 -15.812 4.555 8.104 21 HG3 LYS 2 HG3 LYS 2 -16.561 6.129 7.821 22 HD2 LYS 2 HD2 LYS 2 -16.904 5.703 10.120 23 HD3 LYS 2 HD3 LYS 2 -18.458 5.456 9.336 24 HE2 LYS 2 HE2 LYS 2 -18.223 3.707 10.922 25 HE3 LYS 2 HE3 LYS 2 -17.995 2.960 9.342 26 HZ1 LYS 2 HZ1 LYS 2 -15.805 3.757 11.195 27 HZ2 LYS 2 HZ2 LYS 2 -15.579 3.035 9.746 28 HZ3 LYS 2 HZ3 LYS 2 -16.319 2.230 10.955 29 H VAL 3 H VAL 3 -18.435 5.294 3.610 30 HA VAL 3 HA VAL 3 -19.958 2.923 3.065 31 HB VAL 3 HB VAL 3 -20.748 4.212 1.104 32 HG11 VAL 3 HG11 VAL 3 -21.855 4.395 3.288 33 HG12 VAL 3 HG12 VAL 3 -20.805 5.764 3.719 34 HG13 VAL 3 HG13 VAL 3 -21.954 5.906 2.372 35 HG21 VAL 3 HG21 VAL 3 -20.164 6.544 0.782 36 HG22 VAL 3 HG22 VAL 3 -18.974 6.486 2.091 37 HG23 VAL 3 HG23 VAL 3 -18.714 5.552 0.597 38 H CYS 4 H CYS 4 -16.848 3.928 1.953 39 HA CYS 4 HA CYS 4 -16.773 2.437 -0.526 40 HB2 CYS 4 HB2 CYS 4 -14.323 2.766 -0.318 41 HB3 CYS 4 HB3 CYS 4 -15.262 4.248 -0.203 42 H ALA 5 H ALA 5 -16.223 0.382 -0.934 43 HA ALA 5 HA ALA 5 -15.549 -1.464 1.326 44 HB1 ALA 5 HB1 ALA 5 -17.116 -2.020 -1.216 45 HB2 ALA 5 HB2 ALA 5 -16.678 -3.203 0.039 46 HB3 ALA 5 HB3 ALA 5 -17.777 -1.864 0.430 47 H CYS 6 H CYS 6 -13.317 -1.108 1.170 48 HA CYS 6 HA CYS 6 -11.723 -1.448 -1.140 49 HB2 CYS 6 HB2 CYS 6 -11.359 -1.577 1.868 50 HB3 CYS 6 HB3 CYS 6 -10.054 -2.032 0.819 51 HA PRO 7 HA PRO 7 -11.807 -5.795 -1.722 52 HB2 PRO 7 HB2 PRO 7 -9.395 -6.348 -2.868 53 HB3 PRO 7 HB3 PRO 7 -10.621 -5.310 -3.655 54 HG2 PRO 7 HG2 PRO 7 -8.182 -4.462 -2.076 55 HG3 PRO 7 HG3 PRO 7 -8.766 -3.824 -3.644 56 HD2 PRO 7 HD2 PRO 7 -9.290 -2.669 -1.183 57 HD3 PRO 7 HD3 PRO 7 -10.381 -2.481 -2.580 58 H LYS 8 H LYS 8 -11.369 -7.737 -0.754 59 HA LYS 8 HA LYS 8 -9.646 -7.814 1.630 60 HB2 LYS 8 HB2 LYS 8 -10.923 -9.847 2.126 61 HB3 LYS 8 HB3 LYS 8 -11.964 -8.448 1.869 62 HG2 LYS 8 HG2 LYS 8 -12.609 -9.256 -0.337 63 HG3 LYS 8 HG3 LYS 8 -11.396 -10.536 -0.279 64 HD2 LYS 8 HD2 LYS 8 -13.606 -11.429 0.082 65 HD3 LYS 8 HD3 LYS 8 -12.618 -11.687 1.511 66 HE2 LYS 8 HE2 LYS 8 -14.398 -9.235 1.367 67 HE3 LYS 8 HE3 LYS 8 -15.156 -10.809 1.594 68 HZ1 LYS 8 HZ1 LYS 8 -14.684 -9.797 3.725 69 HZ2 LYS 8 HZ2 LYS 8 -13.090 -9.685 3.409 70 HZ3 LYS 8 HZ3 LYS 8 -13.795 -11.152 3.570 71 H ILE 9 H ILE 9 -8.914 -8.289 -1.388 72 HA ILE 9 HA ILE 9 -7.710 -10.924 -1.504 73 HB ILE 9 HB ILE 9 -6.749 -8.564 -3.123 74 HG12 ILE 9 HG12 ILE 9 -9.133 -10.326 -3.882 75 HG13 ILE 9 HG13 ILE 9 -9.278 -8.670 -3.301 76 HG21 ILE 9 HG21 ILE 9 -6.897 -11.545 -3.751 77 HG22 ILE 9 HG22 ILE 9 -6.247 -10.297 -4.831 78 HG23 ILE 9 HG23 ILE 9 -5.425 -10.635 -3.333 79 HD11 ILE 9 HD11 ILE 9 -8.017 -9.529 -5.917 80 HD12 ILE 9 HD12 ILE 9 -9.473 -8.563 -5.655 81 HD13 ILE 9 HD13 ILE 9 -7.884 -7.887 -5.241 82 H LEU 10 H LEU 10 -5.727 -11.548 -1.180 83 HA LEU 10 HA LEU 10 -3.973 -10.063 0.681 84 HB2 LEU 10 HB2 LEU 10 -4.740 -12.547 0.807 85 HB3 LEU 10 HB3 LEU 10 -3.496 -12.878 -0.384 86 HG LEU 10 HG LEU 10 -3.058 -11.525 2.319 87 HD11 LEU 10 HD11 LEU 10 -2.571 -14.421 1.500 88 HD12 LEU 10 HD12 LEU 10 -3.854 -13.842 2.587 89 HD13 LEU 10 HD13 LEU 10 -2.159 -13.695 3.072 90 HD21 LEU 10 HD21 LEU 10 -0.667 -12.158 2.008 91 HD22 LEU 10 HD22 LEU 10 -1.212 -11.022 0.779 92 HD23 LEU 10 HD23 LEU 10 -1.046 -12.741 0.370 93 H LYS 11 H LYS 11 -3.594 -8.394 -0.981 94 HA LYS 11 HA LYS 11 -1.223 -9.079 -2.666 95 HB2 LYS 11 HB2 LYS 11 -3.540 -8.887 -3.918 96 HB3 LYS 11 HB3 LYS 11 -3.289 -7.163 -3.783 97 HG2 LYS 11 HG2 LYS 11 -1.508 -9.246 -5.112 98 HG3 LYS 11 HG3 LYS 11 -2.496 -8.058 -5.931 99 HD2 LYS 11 HD2 LYS 11 -0.042 -7.413 -4.232 100 HD3 LYS 11 HD3 LYS 11 -0.037 -7.572 -5.973 101 HE2 LYS 11 HE2 LYS 11 -1.751 -5.523 -4.504 102 HE3 LYS 11 HE3 LYS 11 -0.107 -5.204 -5.047 103 HZ1 LYS 11 HZ1 LYS 11 -1.709 -4.456 -6.694 104 HZ2 LYS 11 HZ2 LYS 11 -2.365 -5.942 -6.835 105 HZ3 LYS 11 HZ3 LYS 11 -0.831 -5.672 -7.332 106 HA PRO 12 HA PRO 12 -0.586 -5.481 0.167 107 HB2 PRO 12 HB2 PRO 12 1.838 -6.257 1.247 108 HB3 PRO 12 HB3 PRO 12 0.239 -6.740 1.885 109 HG2 PRO 12 HG2 PRO 12 2.068 -8.304 0.068 110 HG3 PRO 12 HG3 PRO 12 1.152 -8.863 1.513 111 HD2 PRO 12 HD2 PRO 12 0.260 -9.272 -1.038 112 HD3 PRO 12 HD3 PRO 12 -0.865 -8.942 0.313 113 H VAL 13 H VAL 13 1.219 -3.974 0.304 114 HA VAL 13 HA VAL 13 2.865 -3.677 -2.153 115 HB VAL 13 HB VAL 13 1.973 -1.403 -2.530 116 HG11 VAL 13 HG11 VAL 13 1.095 -3.322 -3.846 117 HG12 VAL 13 HG12 VAL 13 -0.252 -3.472 -2.695 118 HG13 VAL 13 HG13 VAL 13 -0.074 -2.007 -3.672 119 HG21 VAL 13 HG21 VAL 13 -0.172 -2.152 -0.490 120 HG22 VAL 13 HG22 VAL 13 1.036 -0.856 -0.340 121 HG23 VAL 13 HG23 VAL 13 -0.229 -0.751 -1.562 122 H CYS 14 H CYS 14 4.454 -2.078 -1.989 123 HA CYS 14 HA CYS 14 5.193 -1.262 0.797 124 HB2 CYS 14 HB2 CYS 14 6.848 -2.590 -0.643 125 HB3 CYS 14 HB3 CYS 14 6.940 -1.177 -1.683 126 H GLY 15 H GLY 15 4.517 0.777 1.273 127 HA2 GLY 15 HA2 GLY 15 3.716 2.736 -0.769 128 HA3 GLY 15 HA3 GLY 15 3.749 2.980 0.965 129 H SER 16 H SER 16 4.635 4.855 -1.036 130 HA SER 16 HA SER 16 7.428 5.000 -1.350 131 HB2 SER 16 HB2 SER 16 5.633 6.384 -2.459 132 HB3 SER 16 HB3 SER 16 5.580 7.379 -0.989 133 HG SER 16 HG SER 16 7.006 8.219 -2.611 134 H ASP 17 H ASP 17 5.610 5.697 1.552 135 HA ASP 17 HA ASP 17 7.656 7.086 3.045 136 HB2 ASP 17 HB2 ASP 17 5.206 7.041 3.552 137 HB3 ASP 17 HB3 ASP 17 5.356 5.346 4.016 138 H GLY 18 H GLY 18 7.531 3.824 2.000 139 HA2 GLY 18 HA2 GLY 18 9.263 2.257 2.237 140 HA3 GLY 18 HA3 GLY 18 9.792 3.008 3.737 141 H ARG 19 H ARG 19 6.539 2.738 4.052 142 HA ARG 19 HA ARG 19 6.666 0.326 5.755 143 HB2 ARG 19 HB2 ARG 19 5.407 2.741 6.056 144 HB3 ARG 19 HB3 ARG 19 4.105 1.856 5.291 145 HG2 ARG 19 HG2 ARG 19 3.835 1.773 7.668 146 HG3 ARG 19 HG3 ARG 19 4.267 0.140 7.156 147 HD2 ARG 19 HD2 ARG 19 6.530 0.395 7.962 148 HD3 ARG 19 HD3 ARG 19 6.357 2.137 8.141 149 HE ARG 19 HE ARG 19 5.426 0.043 9.988 150 HH11 ARG 19 HH11 ARG 19 5.177 3.454 9.238 151 HH12 ARG 19 HH12 ARG 19 4.653 3.863 10.848 152 HH21 ARG 19 HH21 ARG 19 4.764 0.628 12.019 153 HH22 ARG 19 HH22 ARG 19 4.427 2.296 12.375 154 H THR 20 H THR 20 4.879 -1.234 5.687 155 HA THR 20 HA THR 20 3.866 -1.848 2.928 156 HB THR 20 HB THR 20 4.715 -3.777 5.113 157 HG1 THR 20 HG1 THR 20 6.332 -2.975 3.726 158 HG21 THR 20 HG21 THR 20 4.110 -5.587 3.564 159 HG22 THR 20 HG22 THR 20 3.371 -4.415 2.450 160 HG23 THR 20 HG23 THR 20 2.678 -4.701 4.066 161 H TYR 21 H TYR 21 1.734 -2.169 2.669 162 HA TYR 21 HA TYR 21 -0.047 -2.379 5.042 163 HB2 TYR 21 HB2 TYR 21 -0.720 -0.973 2.453 164 HB3 TYR 21 HB3 TYR 21 -1.611 -0.987 3.967 165 HD1 TYR 21 HD1 TYR 21 -1.022 0.485 5.832 166 HD2 TYR 21 HD2 TYR 21 1.230 0.502 2.148 167 HE1 TYR 21 HE1 TYR 21 -0.007 2.669 6.459 168 HE2 TYR 21 HE2 TYR 21 2.234 2.700 2.783 169 HH TYR 21 HH TYR 21 1.424 4.346 5.850 170 H ALA 22 H ALA 22 -2.276 -3.294 4.293 171 HA ALA 22 HA ALA 22 -1.594 -5.963 3.425 172 HB1 ALA 22 HB1 ALA 22 -3.232 -5.438 5.215 173 HB2 ALA 22 HB2 ALA 22 -4.314 -4.692 4.011 174 HB3 ALA 22 HB3 ALA 22 -3.963 -6.428 3.936 175 H ASN 23 H ASN 23 -2.893 -3.258 1.672 176 HA ASN 23 HA ASN 23 -2.702 -4.508 -0.863 177 HB2 ASN 23 HB2 ASN 23 -5.185 -3.985 -1.441 178 HB3 ASN 23 HB3 ASN 23 -4.739 -5.538 -0.752 179 HD21 ASN 23 HD21 ASN 23 -6.867 -2.889 -0.399 180 HD22 ASN 23 HD22 ASN 23 -7.463 -3.416 1.177 181 H SER 24 H SER 24 -3.814 -2.888 -2.582 182 HA SER 24 HA SER 24 -2.434 -0.476 -2.193 183 HB2 SER 24 HB2 SER 24 -3.541 0.228 -4.353 184 HB3 SER 24 HB3 SER 24 -2.716 -1.342 -4.411 185 HG SER 24 HG SER 24 -4.828 -1.434 -5.337 186 H CYS 25 H CYS 25 -5.857 -1.127 -2.049 187 HA CYS 25 HA CYS 25 -7.008 1.374 -1.807 188 HB2 CYS 25 HB2 CYS 25 -7.928 -1.058 -1.822 189 HB3 CYS 25 HB3 CYS 25 -7.982 -0.904 -0.080 190 H ILE 26 H ILE 26 -5.737 -0.517 0.757 191 HA ILE 26 HA ILE 26 -6.275 1.363 2.953 192 HB ILE 26 HB ILE 26 -6.077 -0.972 3.483 193 HG12 ILE 26 HG12 ILE 26 -3.723 0.404 4.804 194 HG13 ILE 26 HG13 ILE 26 -5.404 0.835 5.132 195 HG21 ILE 26 HG21 ILE 26 -3.247 -1.039 2.582 196 HG22 ILE 26 HG22 ILE 26 -4.098 -2.302 3.494 197 HG23 ILE 26 HG23 ILE 26 -4.660 -1.871 1.894 198 HD11 ILE 26 HD11 ILE 26 -4.663 -0.643 6.867 199 HD12 ILE 26 HD12 ILE 26 -5.844 -1.517 5.874 200 HD13 ILE 26 HD13 ILE 26 -4.101 -1.852 5.706 201 H ALA 27 H ALA 27 -3.382 0.437 1.293 202 HA ALA 27 HA ALA 27 -1.512 2.267 2.343 203 HB1 ALA 27 HB1 ALA 27 -0.221 2.029 0.298 204 HB2 ALA 27 HB2 ALA 27 -0.960 0.471 0.709 205 HB3 ALA 27 HB3 ALA 27 -1.640 1.457 -0.595 206 H ARG 28 H ARG 28 -3.558 2.927 -0.523 207 HA ARG 28 HA ARG 28 -2.860 5.696 -0.786 208 HB2 ARG 28 HB2 ARG 28 -4.712 5.908 -2.269 209 HB3 ARG 28 HB3 ARG 28 -3.888 4.382 -2.594 210 HG2 ARG 28 HG2 ARG 28 -5.644 3.114 -1.504 211 HG3 ARG 28 HG3 ARG 28 -6.427 4.553 -0.901 212 HD2 ARG 28 HD2 ARG 28 -6.155 3.797 -3.835 213 HD3 ARG 28 HD3 ARG 28 -7.612 3.618 -2.862 214 HE ARG 28 HE ARG 28 -6.662 6.019 -4.155 215 HH11 ARG 28 HH11 ARG 28 -8.547 5.069 -1.361 216 HH12 ARG 28 HH12 ARG 28 -9.244 6.658 -1.190 217 HH21 ARG 28 HH21 ARG 28 -7.605 7.990 -3.903 218 HH22 ARG 28 HH22 ARG 28 -8.746 8.253 -2.621 219 H CYS 29 H CYS 29 -5.201 4.244 1.317 220 HA CYS 29 HA CYS 29 -6.826 6.500 1.901 221 HB2 CYS 29 HB2 CYS 29 -7.126 4.032 2.523 222 HB3 CYS 29 HB3 CYS 29 -6.087 4.347 3.905 223 H ASN 30 H ASN 30 -3.664 5.597 3.192 224 HA ASN 30 HA ASN 30 -3.474 7.723 5.178 225 HB2 ASN 30 HB2 ASN 30 -1.618 5.646 3.954 226 HB3 ASN 30 HB3 ASN 30 -0.986 6.943 4.934 227 HD21 ASN 30 HD21 ASN 30 -2.573 3.859 5.072 228 HD22 ASN 30 HD22 ASN 30 -2.771 3.891 6.821 229 H GLY 31 H GLY 31 -3.514 7.948 1.827 230 HA2 GLY 31 HA2 GLY 31 -3.320 9.874 0.576 231 HA3 GLY 31 HA3 GLY 31 -2.398 10.658 1.853 232 H VAL 32 H VAL 32 -0.761 7.802 1.479 233 HA VAL 32 HA VAL 32 1.222 8.900 -0.403 234 HB VAL 32 HB VAL 32 2.538 6.953 0.478 235 HG11 VAL 32 HG11 VAL 32 2.869 9.256 1.281 236 HG12 VAL 32 HG12 VAL 32 1.630 9.004 2.530 237 HG13 VAL 32 HG13 VAL 32 3.144 8.078 2.573 238 HG21 VAL 32 HG21 VAL 32 0.703 5.550 1.403 239 HG22 VAL 32 HG22 VAL 32 1.976 5.899 2.577 240 HG23 VAL 32 HG23 VAL 32 0.440 6.771 2.669 241 H SER 33 H SER 33 1.935 7.763 -2.266 242 HA SER 33 HA SER 33 0.156 5.735 -3.380 243 HB2 SER 33 HB2 SER 33 1.980 6.027 -5.230 244 HB3 SER 33 HB3 SER 33 0.748 7.259 -4.990 245 HG SER 33 HG SER 33 2.851 8.168 -5.187 246 H ILE 34 H ILE 34 1.059 3.749 -4.316 247 HA ILE 34 HA ILE 34 2.923 2.399 -2.631 248 HB ILE 34 HB ILE 34 2.421 0.558 -3.823 249 HG12 ILE 34 HG12 ILE 34 1.022 2.029 -6.071 250 HG13 ILE 34 HG13 ILE 34 2.639 1.315 -6.171 251 HG21 ILE 34 HG21 ILE 34 0.628 1.482 -2.357 252 HG22 ILE 34 HG22 ILE 34 -0.201 2.086 -3.810 253 HG23 ILE 34 HG23 ILE 34 0.028 0.354 -3.575 254 HD11 ILE 34 HD11 ILE 34 1.148 -0.241 -7.163 255 HD12 ILE 34 HD12 ILE 34 1.699 -0.924 -5.619 256 HD13 ILE 34 HD13 ILE 34 0.064 -0.224 -5.765 257 H LYS 35 H LYS 35 5.027 2.201 -2.872 258 HA LYS 35 HA LYS 35 6.460 3.403 -5.164 259 HB2 LYS 35 HB2 LYS 35 7.114 2.923 -2.437 260 HB3 LYS 35 HB3 LYS 35 8.128 1.812 -3.335 261 HG2 LYS 35 HG2 LYS 35 7.915 4.822 -3.804 262 HG3 LYS 35 HG3 LYS 35 9.212 3.998 -2.927 263 HD2 LYS 35 HD2 LYS 35 9.817 2.762 -5.011 264 HD3 LYS 35 HD3 LYS 35 8.563 3.667 -5.888 265 HE2 LYS 35 HE2 LYS 35 9.679 5.801 -5.282 266 HE3 LYS 35 HE3 LYS 35 10.958 4.896 -4.462 267 HZ1 LYS 35 HZ1 LYS 35 10.318 4.697 -7.361 268 HZ2 LYS 35 HZ2 LYS 35 11.502 3.861 -6.606 269 HZ3 LYS 35 HZ3 LYS 35 11.600 5.484 -6.733 270 H SER 36 H SER 36 5.722 0.192 -3.868 271 HA SER 36 HA SER 36 5.928 -0.943 -6.547 272 HB2 SER 36 HB2 SER 36 8.284 -1.061 -5.631 273 HB3 SER 36 HB3 SER 36 7.691 -2.209 -4.417 274 HG SER 36 HG SER 36 8.549 -3.214 -6.325 275 H GLU 37 H GLU 37 5.560 -3.346 -6.443 276 HA GLU 37 HA GLU 37 3.130 -3.950 -4.880 277 HB2 GLU 37 HB2 GLU 37 2.966 -5.839 -6.503 278 HB3 GLU 37 HB3 GLU 37 2.788 -4.235 -7.155 279 HG2 GLU 37 HG2 GLU 37 3.995 -5.442 -8.760 280 HG3 GLU 37 HG3 GLU 37 5.155 -4.358 -8.030 281 H GLY 38 H GLY 38 2.878 -5.836 -3.704 282 HA2 GLY 38 HA2 GLY 38 3.439 -7.624 -2.393 283 HA3 GLY 38 HA3 GLY 38 5.094 -7.612 -3.013 284 H SER 39 H SER 39 4.421 -7.873 -0.309 285 HA SER 39 HA SER 39 5.135 -5.571 1.264 286 HB2 SER 39 HB2 SER 39 6.081 -8.397 1.763 287 HB3 SER 39 HB3 SER 39 5.801 -7.124 2.944 288 HG SER 39 HG SER 39 4.097 -8.701 2.885 289 H CYS 40 H CYS 40 7.093 -4.568 1.490 290 HA CYS 40 HA CYS 40 9.090 -5.219 -0.523 291 HB2 CYS 40 HB2 CYS 40 10.375 -3.268 0.763 292 HB3 CYS 40 HB3 CYS 40 9.142 -3.046 -0.447 293 HA PRO 41 HA PRO 41 11.930 -7.725 1.646 294 HB2 PRO 41 HB2 PRO 41 14.372 -6.970 0.615 295 HB3 PRO 41 HB3 PRO 41 13.144 -7.918 -0.272 296 HG2 PRO 41 HG2 PRO 41 13.662 -4.935 -0.412 297 HG3 PRO 41 HG3 PRO 41 13.404 -6.080 -1.765 298 HD2 PRO 41 HD2 PRO 41 11.394 -4.500 -0.800 299 HD3 PRO 41 HD3 PRO 41 11.071 -6.151 -1.371 300 H THR 42 H THR 42 12.505 -7.621 3.684 301 HA THR 42 HA THR 42 12.889 -6.828 5.789 302 HB THR 42 HB THR 42 14.936 -4.942 4.650 303 HG1 THR 42 HG1 THR 42 15.168 -6.981 3.655 304 HG21 THR 42 HG21 THR 42 16.276 -5.694 6.620 305 HG22 THR 42 HG22 THR 42 14.928 -6.726 7.142 306 HG23 THR 42 HG23 THR 42 14.763 -4.958 7.150 307 H GLY 43 H GLY 43 10.859 -5.462 4.184 308 HA2 GLY 43 HA2 GLY 43 10.734 -2.657 4.732 309 HA3 GLY 43 HA3 GLY 43 9.390 -3.687 4.252 310 H ILE 44 H ILE 44 10.211 -5.221 6.916 311 HA ILE 44 HA ILE 44 8.516 -3.639 8.801 312 HB ILE 44 HB ILE 44 9.444 -6.525 9.007 313 HG12 ILE 44 HG12 ILE 44 7.900 -6.412 7.149 314 HG13 ILE 44 HG13 ILE 44 7.132 -7.185 8.519 315 HG21 ILE 44 HG21 ILE 44 7.483 -4.892 10.680 316 HG22 ILE 44 HG22 ILE 44 7.696 -6.653 10.799 317 HG23 ILE 44 HG23 ILE 44 9.032 -5.575 11.203 318 HD11 ILE 44 HD11 ILE 44 6.641 -4.312 7.606 319 HD12 ILE 44 HD12 ILE 44 5.568 -5.700 7.370 320 HD13 ILE 44 HD13 ILE 44 5.864 -5.093 9.005 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -15.510 4.574 -10.293 2 H2 LYS 1 H2 LYS 1 -15.319 3.391 -11.412 3 H3 LYS 1 H3 LYS 1 -16.752 4.162 -11.266 4 HA LYS 1 HA LYS 1 -16.941 2.001 -10.298 5 HB2 LYS 1 HB2 LYS 1 -15.593 1.282 -8.427 6 HB3 LYS 1 HB3 LYS 1 -14.566 1.658 -9.802 7 HG2 LYS 1 HG2 LYS 1 -13.948 3.842 -8.739 8 HG3 LYS 1 HG3 LYS 1 -15.018 3.473 -7.382 9 HD2 LYS 1 HD2 LYS 1 -12.796 2.998 -6.690 10 HD3 LYS 1 HD3 LYS 1 -13.634 1.451 -6.867 11 HE2 LYS 1 HE2 LYS 1 -12.551 1.122 -9.086 12 HE3 LYS 1 HE3 LYS 1 -11.769 2.703 -8.945 13 HZ1 LYS 1 HZ1 LYS 1 -10.573 1.865 -6.996 14 HZ2 LYS 1 HZ2 LYS 1 -10.272 0.911 -8.286 15 HZ3 LYS 1 HZ3 LYS 1 -11.296 0.402 -7.123 16 H LYS 2 H LYS 2 -18.258 1.573 -8.462 17 HA LYS 2 HA LYS 2 -19.257 4.009 -6.994 18 HB2 LYS 2 HB2 LYS 2 -20.767 1.580 -8.051 19 HB3 LYS 2 HB3 LYS 2 -21.422 2.695 -6.861 20 HG2 LYS 2 HG2 LYS 2 -22.295 3.682 -8.690 21 HG3 LYS 2 HG3 LYS 2 -20.796 4.575 -8.577 22 HD2 LYS 2 HD2 LYS 2 -20.985 4.081 -10.866 23 HD3 LYS 2 HD3 LYS 2 -19.832 2.890 -10.292 24 HE2 LYS 2 HE2 LYS 2 -21.274 1.692 -11.708 25 HE3 LYS 2 HE3 LYS 2 -21.782 1.243 -10.079 26 HZ1 LYS 2 HZ1 LYS 2 -23.112 3.285 -11.794 27 HZ2 LYS 2 HZ2 LYS 2 -23.617 2.857 -10.299 28 HZ3 LYS 2 HZ3 LYS 2 -23.675 1.781 -11.522 29 H VAL 3 H VAL 3 -17.510 1.262 -6.381 30 HA VAL 3 HA VAL 3 -18.588 0.610 -3.724 31 HB VAL 3 HB VAL 3 -15.925 -0.182 -4.979 32 HG11 VAL 3 HG11 VAL 3 -15.943 -0.530 -2.547 33 HG12 VAL 3 HG12 VAL 3 -17.502 -1.383 -2.656 34 HG13 VAL 3 HG13 VAL 3 -16.034 -2.077 -3.375 35 HG21 VAL 3 HG21 VAL 3 -17.039 -2.350 -5.491 36 HG22 VAL 3 HG22 VAL 3 -18.594 -1.666 -4.966 37 HG23 VAL 3 HG23 VAL 3 -17.758 -1.022 -6.397 38 H CYS 4 H CYS 4 -17.885 1.371 -1.803 39 HA CYS 4 HA CYS 4 -15.745 3.475 -1.732 40 HB2 CYS 4 HB2 CYS 4 -18.043 2.952 0.179 41 HB3 CYS 4 HB3 CYS 4 -16.837 4.226 0.333 42 H ALA 5 H ALA 5 -16.780 0.469 -0.078 43 HA ALA 5 HA ALA 5 -14.664 0.469 1.889 44 HB1 ALA 5 HB1 ALA 5 -16.439 -1.769 0.811 45 HB2 ALA 5 HB2 ALA 5 -15.426 -1.855 2.267 46 HB3 ALA 5 HB3 ALA 5 -16.793 -0.726 2.208 47 H CYS 6 H CYS 6 -12.523 -0.198 1.687 48 HA CYS 6 HA CYS 6 -11.398 -0.993 -0.773 49 HB2 CYS 6 HB2 CYS 6 -10.537 -0.874 2.137 50 HB3 CYS 6 HB3 CYS 6 -9.498 -1.607 0.952 51 HA PRO 7 HA PRO 7 -12.069 -5.355 -0.768 52 HB2 PRO 7 HB2 PRO 7 -10.008 -6.298 -2.291 53 HB3 PRO 7 HB3 PRO 7 -11.284 -5.238 -2.952 54 HG2 PRO 7 HG2 PRO 7 -8.516 -4.469 -2.005 55 HG3 PRO 7 HG3 PRO 7 -9.349 -3.974 -3.511 56 HD2 PRO 7 HD2 PRO 7 -9.281 -2.451 -1.212 57 HD3 PRO 7 HD3 PRO 7 -10.639 -2.364 -2.363 58 H LYS 8 H LYS 8 -11.135 -7.455 -0.215 59 HA LYS 8 HA LYS 8 -9.326 -7.377 2.135 60 HB2 LYS 8 HB2 LYS 8 -10.766 -9.302 2.867 61 HB3 LYS 8 HB3 LYS 8 -11.530 -7.734 2.871 62 HG2 LYS 8 HG2 LYS 8 -11.918 -9.447 0.416 63 HG3 LYS 8 HG3 LYS 8 -12.680 -9.984 1.911 64 HD2 LYS 8 HD2 LYS 8 -13.871 -7.870 2.171 65 HD3 LYS 8 HD3 LYS 8 -13.101 -7.203 0.724 66 HE2 LYS 8 HE2 LYS 8 -14.137 -8.988 -0.658 67 HE3 LYS 8 HE3 LYS 8 -14.895 -9.669 0.786 68 HZ1 LYS 8 HZ1 LYS 8 -15.431 -6.945 -0.287 69 HZ2 LYS 8 HZ2 LYS 8 -16.130 -7.584 1.047 70 HZ3 LYS 8 HZ3 LYS 8 -16.431 -8.226 -0.421 71 H ILE 9 H ILE 9 -8.891 -8.124 -0.847 72 HA ILE 9 HA ILE 9 -7.980 -10.890 -0.822 73 HB ILE 9 HB ILE 9 -6.978 -8.826 -2.776 74 HG12 ILE 9 HG12 ILE 9 -9.631 -10.314 -3.116 75 HG13 ILE 9 HG13 ILE 9 -9.525 -8.619 -2.655 76 HG21 ILE 9 HG21 ILE 9 -7.606 -11.803 -3.025 77 HG22 ILE 9 HG22 ILE 9 -6.929 -10.789 -4.309 78 HG23 ILE 9 HG23 ILE 9 -5.987 -11.090 -2.865 79 HD11 ILE 9 HD11 ILE 9 -8.623 -9.769 -5.308 80 HD12 ILE 9 HD12 ILE 9 -9.977 -8.682 -4.982 81 HD13 ILE 9 HD13 ILE 9 -8.316 -8.099 -4.765 82 H LEU 10 H LEU 10 -5.961 -11.629 -0.615 83 HA LEU 10 HA LEU 10 -4.121 -10.131 1.128 84 HB2 LEU 10 HB2 LEU 10 -5.020 -12.561 1.355 85 HB3 LEU 10 HB3 LEU 10 -3.775 -13.010 0.206 86 HG LEU 10 HG LEU 10 -3.353 -11.648 2.913 87 HD11 LEU 10 HD11 LEU 10 -2.857 -14.524 2.035 88 HD12 LEU 10 HD12 LEU 10 -4.178 -13.968 3.087 89 HD13 LEU 10 HD13 LEU 10 -2.501 -13.840 3.639 90 HD21 LEU 10 HD21 LEU 10 -1.467 -11.101 1.463 91 HD22 LEU 10 HD22 LEU 10 -1.297 -12.805 0.982 92 HD23 LEU 10 HD23 LEU 10 -0.962 -12.298 2.654 93 H LYS 11 H LYS 11 -3.609 -8.569 -0.634 94 HA LYS 11 HA LYS 11 -1.295 -9.443 -2.333 95 HB2 LYS 11 HB2 LYS 11 -3.769 -7.879 -3.167 96 HB3 LYS 11 HB3 LYS 11 -2.256 -7.884 -4.088 97 HG2 LYS 11 HG2 LYS 11 -2.391 -10.255 -4.505 98 HG3 LYS 11 HG3 LYS 11 -3.766 -10.422 -3.417 99 HD2 LYS 11 HD2 LYS 11 -4.579 -10.538 -5.631 100 HD3 LYS 11 HD3 LYS 11 -5.168 -9.039 -4.931 101 HE2 LYS 11 HE2 LYS 11 -2.665 -9.125 -6.673 102 HE3 LYS 11 HE3 LYS 11 -4.276 -9.119 -7.392 103 HZ1 LYS 11 HZ1 LYS 11 -3.222 -6.975 -5.628 104 HZ2 LYS 11 HZ2 LYS 11 -4.739 -7.021 -6.250 105 HZ3 LYS 11 HZ3 LYS 11 -3.452 -6.878 -7.238 106 HA PRO 12 HA PRO 12 -0.456 -5.649 0.208 107 HB2 PRO 12 HB2 PRO 12 1.856 -6.415 1.462 108 HB3 PRO 12 HB3 PRO 12 0.222 -6.856 2.042 109 HG2 PRO 12 HG2 PRO 12 2.114 -8.524 0.389 110 HG3 PRO 12 HG3 PRO 12 1.159 -8.992 1.844 111 HD2 PRO 12 HD2 PRO 12 0.319 -9.544 -0.709 112 HD3 PRO 12 HD3 PRO 12 -0.825 -9.156 0.608 113 H VAL 13 H VAL 13 1.314 -4.167 0.181 114 HA VAL 13 HA VAL 13 3.124 -4.184 -2.160 115 HB VAL 13 HB VAL 13 2.248 -2.065 -2.984 116 HG11 VAL 13 HG11 VAL 13 -0.097 -3.980 -2.859 117 HG12 VAL 13 HG12 VAL 13 0.361 -2.856 -4.151 118 HG13 VAL 13 HG13 VAL 13 1.338 -4.298 -3.842 119 HG21 VAL 13 HG21 VAL 13 0.057 -1.219 -2.280 120 HG22 VAL 13 HG22 VAL 13 -0.006 -2.390 -0.956 121 HG23 VAL 13 HG23 VAL 13 1.232 -1.110 -0.966 122 H CYS 14 H CYS 14 4.522 -2.207 -2.210 123 HA CYS 14 HA CYS 14 5.293 -1.420 0.560 124 HB2 CYS 14 HB2 CYS 14 7.008 -2.398 -1.086 125 HB3 CYS 14 HB3 CYS 14 6.828 -0.902 -2.005 126 H GLY 15 H GLY 15 4.666 0.534 1.291 127 HA2 GLY 15 HA2 GLY 15 3.402 2.602 -0.343 128 HA3 GLY 15 HA3 GLY 15 3.852 2.713 1.343 129 H SER 16 H SER 16 4.173 4.804 -0.510 130 HA SER 16 HA SER 16 6.775 5.092 -1.581 131 HB2 SER 16 HB2 SER 16 4.733 6.511 -2.031 132 HB3 SER 16 HB3 SER 16 5.110 7.384 -0.532 133 HG SER 16 HG SER 16 6.080 8.391 -2.338 134 H ASP 17 H ASP 17 5.728 5.474 1.725 135 HA ASP 17 HA ASP 17 8.179 6.775 2.690 136 HB2 ASP 17 HB2 ASP 17 7.096 6.844 4.777 137 HB3 ASP 17 HB3 ASP 17 5.859 7.232 3.588 138 H GLY 18 H GLY 18 7.440 3.598 1.839 139 HA2 GLY 18 HA2 GLY 18 8.915 1.789 1.969 140 HA3 GLY 18 HA3 GLY 18 9.732 2.505 3.349 141 H ARG 19 H ARG 19 6.403 2.562 4.024 142 HA ARG 19 HA ARG 19 6.521 0.178 5.760 143 HB2 ARG 19 HB2 ARG 19 4.836 2.552 5.507 144 HB3 ARG 19 HB3 ARG 19 3.814 1.141 5.498 145 HG2 ARG 19 HG2 ARG 19 5.936 1.685 7.622 146 HG3 ARG 19 HG3 ARG 19 4.245 2.185 7.746 147 HD2 ARG 19 HD2 ARG 19 3.520 -0.180 7.542 148 HD3 ARG 19 HD3 ARG 19 5.225 -0.690 7.520 149 HE ARG 19 HE ARG 19 4.967 0.858 9.821 150 HH11 ARG 19 HH11 ARG 19 3.444 -2.101 8.726 151 HH12 ARG 19 HH12 ARG 19 3.213 -2.685 10.350 152 HH21 ARG 19 HH21 ARG 19 4.629 0.066 11.857 153 HH22 ARG 19 HH22 ARG 19 3.864 -1.479 12.073 154 H THR 20 H THR 20 4.813 -1.439 5.681 155 HA THR 20 HA THR 20 3.839 -2.176 2.941 156 HB THR 20 HB THR 20 4.830 -3.996 5.165 157 HG1 THR 20 HG1 THR 20 6.433 -4.451 3.811 158 HG21 THR 20 HG21 THR 20 3.642 -4.757 2.460 159 HG22 THR 20 HG22 THR 20 2.865 -5.033 4.037 160 HG23 THR 20 HG23 THR 20 4.369 -5.864 3.659 161 H TYR 21 H TYR 21 1.658 -2.112 2.806 162 HA TYR 21 HA TYR 21 0.004 -2.577 5.216 163 HB2 TYR 21 HB2 TYR 21 -0.729 -1.120 2.662 164 HB3 TYR 21 HB3 TYR 21 -1.587 -1.213 4.196 165 HD1 TYR 21 HD2 TYR 21 1.302 0.373 2.481 166 HD2 TYR 21 HD1 TYR 21 -1.212 0.298 5.993 167 HE1 TYR 21 HE2 TYR 21 2.166 2.616 3.163 168 HE2 TYR 21 HE1 TYR 21 -0.352 2.532 6.654 169 HH TYR 21 HH TYR 21 1.033 4.268 6.128 170 H ALA 22 H ALA 22 -2.260 -3.441 4.456 171 HA ALA 22 HA ALA 22 -1.703 -6.116 3.619 172 HB1 ALA 22 HB1 ALA 22 -3.423 -5.446 5.295 173 HB2 ALA 22 HB2 ALA 22 -4.381 -4.685 3.998 174 HB3 ALA 22 HB3 ALA 22 -4.120 -6.437 3.998 175 H ASN 23 H ASN 23 -3.045 -3.395 1.780 176 HA ASN 23 HA ASN 23 -2.589 -4.700 -0.717 177 HB2 ASN 23 HB2 ASN 23 -5.034 -4.255 -1.473 178 HB3 ASN 23 HB3 ASN 23 -4.595 -5.789 -0.735 179 HD21 ASN 23 HD21 ASN 23 -6.889 -3.278 -0.602 180 HD22 ASN 23 HD22 ASN 23 -7.599 -3.872 0.908 181 H SER 24 H SER 24 -3.276 -3.239 -2.577 182 HA SER 24 HA SER 24 -2.074 -0.865 -2.155 183 HB2 SER 24 HB2 SER 24 -4.050 -1.338 -4.418 184 HB3 SER 24 HB3 SER 24 -2.663 -0.229 -4.434 185 HG SER 24 HG SER 24 -2.185 -2.212 -5.478 186 H CYS 25 H CYS 25 -5.526 -1.344 -2.246 187 HA CYS 25 HA CYS 25 -6.565 1.248 -2.155 188 HB2 CYS 25 HB2 CYS 25 -7.662 -1.048 -2.270 189 HB3 CYS 25 HB3 CYS 25 -7.641 -1.059 -0.522 190 H ILE 26 H ILE 26 -5.559 -0.750 0.458 191 HA ILE 26 HA ILE 26 -6.286 1.141 2.557 192 HB ILE 26 HB ILE 26 -5.865 -1.575 2.605 193 HG12 ILE 26 HG12 ILE 26 -5.859 -1.402 5.134 194 HG13 ILE 26 HG13 ILE 26 -5.649 0.336 4.975 195 HG21 ILE 26 HG21 ILE 26 -4.072 -2.215 3.979 196 HG22 ILE 26 HG22 ILE 26 -3.404 -1.360 2.586 197 HG23 ILE 26 HG23 ILE 26 -3.543 -0.529 4.162 198 HD11 ILE 26 HD11 ILE 26 -7.889 0.497 3.857 199 HD12 ILE 26 HD12 ILE 26 -8.041 -1.274 3.925 200 HD13 ILE 26 HD13 ILE 26 -8.024 -0.318 5.421 201 H ALA 27 H ALA 27 -3.256 0.305 1.059 202 HA ALA 27 HA ALA 27 -1.548 2.140 2.445 203 HB1 ALA 27 HB1 ALA 27 -0.745 0.413 0.844 204 HB2 ALA 27 HB2 ALA 27 -1.399 1.363 -0.500 205 HB3 ALA 27 HB3 ALA 27 -0.094 2.027 0.500 206 H ARG 28 H ARG 28 -3.355 2.747 -0.619 207 HA ARG 28 HA ARG 28 -2.834 5.576 -0.650 208 HB2 ARG 28 HB2 ARG 28 -4.488 5.768 -2.370 209 HB3 ARG 28 HB3 ARG 28 -3.470 4.356 -2.668 210 HG2 ARG 28 HG2 ARG 28 -5.210 2.863 -1.885 211 HG3 ARG 28 HG3 ARG 28 -6.237 4.190 -1.384 212 HD2 ARG 28 HD2 ARG 28 -5.372 3.702 -4.262 213 HD3 ARG 28 HD3 ARG 28 -6.893 3.133 -3.583 214 HE ARG 28 HE ARG 28 -6.252 5.844 -4.423 215 HH11 ARG 28 HH11 ARG 28 -8.415 4.084 -2.301 216 HH12 ARG 28 HH12 ARG 28 -9.562 5.393 -2.247 217 HH21 ARG 28 HH21 ARG 28 -7.743 7.466 -4.298 218 HH22 ARG 28 HH22 ARG 28 -9.183 7.252 -3.352 219 H CYS 29 H CYS 29 -5.373 3.858 0.986 220 HA CYS 29 HA CYS 29 -7.151 5.939 1.594 221 HB2 CYS 29 HB2 CYS 29 -7.320 3.472 2.137 222 HB3 CYS 29 HB3 CYS 29 -6.305 3.764 3.541 223 H ASN 30 H ASN 30 -4.038 5.245 3.141 224 HA ASN 30 HA ASN 30 -4.189 7.323 5.174 225 HB2 ASN 30 HB2 ASN 30 -2.068 5.418 4.097 226 HB3 ASN 30 HB3 ASN 30 -1.662 6.699 5.210 227 HD21 ASN 30 HD21 ASN 30 -3.218 3.542 4.957 228 HD22 ASN 30 HD22 ASN 30 -3.531 3.451 6.688 229 H GLY 31 H GLY 31 -3.877 7.641 1.845 230 HA2 GLY 31 HA2 GLY 31 -3.740 9.642 0.704 231 HA3 GLY 31 HA3 GLY 31 -2.963 10.422 2.076 232 H VAL 32 H VAL 32 -1.054 7.779 1.796 233 HA VAL 32 HA VAL 32 0.972 9.050 0.104 234 HB VAL 32 HB VAL 32 2.288 7.066 0.853 235 HG11 VAL 32 HG11 VAL 32 2.431 9.239 1.997 236 HG12 VAL 32 HG12 VAL 32 1.120 8.753 3.094 237 HG13 VAL 32 HG13 VAL 32 2.674 7.893 3.122 238 HG21 VAL 32 HG21 VAL 32 0.008 6.483 2.777 239 HG22 VAL 32 HG22 VAL 32 0.470 5.469 1.392 240 HG23 VAL 32 HG23 VAL 32 1.595 5.704 2.732 241 H SER 33 H SER 33 1.904 8.027 -1.707 242 HA SER 33 HA SER 33 0.204 6.102 -3.191 243 HB2 SER 33 HB2 SER 33 1.366 7.990 -4.320 244 HB3 SER 33 HB3 SER 33 2.922 7.199 -3.992 245 HG SER 33 HG SER 33 2.024 6.731 -6.087 246 H ILE 34 H ILE 34 1.558 4.327 -4.327 247 HA ILE 34 HA ILE 34 3.028 2.672 -2.380 248 HB ILE 34 HB ILE 34 2.332 0.884 -3.722 249 HG12 ILE 34 HG12 ILE 34 0.138 1.651 -5.285 250 HG13 ILE 34 HG13 ILE 34 1.391 2.797 -5.728 251 HG21 ILE 34 HG21 ILE 34 -0.027 2.581 -2.852 252 HG22 ILE 34 HG22 ILE 34 -0.057 0.835 -3.095 253 HG23 ILE 34 HG23 ILE 34 0.966 1.526 -1.821 254 HD11 ILE 34 HD11 ILE 34 1.463 0.793 -7.162 255 HD12 ILE 34 HD12 ILE 34 2.943 0.866 -6.181 256 HD13 ILE 34 HD13 ILE 34 1.637 -0.253 -5.736 257 H LYS 35 H LYS 35 5.093 2.497 -2.631 258 HA LYS 35 HA LYS 35 6.579 3.736 -4.795 259 HB2 LYS 35 HB2 LYS 35 7.410 3.253 -2.385 260 HB3 LYS 35 HB3 LYS 35 7.600 1.586 -2.879 261 HG2 LYS 35 HG2 LYS 35 9.749 2.590 -3.108 262 HG3 LYS 35 HG3 LYS 35 9.135 2.402 -4.743 263 HD2 LYS 35 HD2 LYS 35 10.069 4.549 -4.729 264 HD3 LYS 35 HD3 LYS 35 8.350 4.882 -4.559 265 HE2 LYS 35 HE2 LYS 35 8.781 4.892 -1.995 266 HE3 LYS 35 HE3 LYS 35 10.495 4.901 -2.393 267 HZ1 LYS 35 HZ1 LYS 35 10.087 6.992 -3.640 268 HZ2 LYS 35 HZ2 LYS 35 9.678 7.139 -2.061 269 HZ3 LYS 35 HZ3 LYS 35 8.507 6.978 -3.173 270 H SER 36 H SER 36 5.676 0.450 -4.073 271 HA SER 36 HA SER 36 5.409 -0.259 -6.843 272 HB2 SER 36 HB2 SER 36 7.911 -0.534 -6.542 273 HB3 SER 36 HB3 SER 36 7.570 -1.866 -5.423 274 HG SER 36 HG SER 36 7.933 -2.531 -7.622 275 H GLU 37 H GLU 37 5.009 -2.679 -7.047 276 HA GLU 37 HA GLU 37 2.937 -3.545 -5.166 277 HB2 GLU 37 HB2 GLU 37 2.710 -5.408 -6.805 278 HB3 GLU 37 HB3 GLU 37 2.378 -3.810 -7.446 279 HG2 GLU 37 HG2 GLU 37 4.581 -3.782 -8.573 280 HG3 GLU 37 HG3 GLU 37 4.995 -5.336 -7.844 281 H GLY 38 H GLY 38 2.961 -5.531 -4.097 282 HA2 GLY 38 HA2 GLY 38 3.851 -7.424 -3.056 283 HA3 GLY 38 HA3 GLY 38 5.415 -7.143 -3.823 284 H SER 39 H SER 39 4.677 -7.670 -0.967 285 HA SER 39 HA SER 39 5.246 -5.373 0.657 286 HB2 SER 39 HB2 SER 39 6.045 -7.182 2.298 287 HB3 SER 39 HB3 SER 39 4.352 -7.156 1.796 288 HG SER 39 HG SER 39 5.283 -9.285 1.754 289 H CYS 40 H CYS 40 7.082 -4.453 1.297 290 HA CYS 40 HA CYS 40 9.388 -5.031 -0.442 291 HB2 CYS 40 HB2 CYS 40 10.288 -2.839 0.650 292 HB3 CYS 40 HB3 CYS 40 9.089 -2.867 -0.611 293 HA PRO 41 HA PRO 41 12.234 -6.614 2.610 294 HB2 PRO 41 HB2 PRO 41 14.624 -5.624 1.705 295 HB3 PRO 41 HB3 PRO 41 13.727 -6.923 0.863 296 HG2 PRO 41 HG2 PRO 41 13.721 -3.954 0.240 297 HG3 PRO 41 HG3 PRO 41 13.939 -5.323 -0.897 298 HD2 PRO 41 HD2 PRO 41 11.513 -4.102 -0.555 299 HD3 PRO 41 HD3 PRO 41 11.631 -5.852 -0.836 300 H THR 42 H THR 42 13.461 -5.897 4.408 301 HA THR 42 HA THR 42 13.869 -4.647 6.248 302 HB THR 42 HB THR 42 14.132 -2.223 4.447 303 HG1 THR 42 HG1 THR 42 16.034 -4.275 4.945 304 HG21 THR 42 HG21 THR 42 14.580 -1.650 6.782 305 HG22 THR 42 HG22 THR 42 16.103 -1.721 5.906 306 HG23 THR 42 HG23 THR 42 15.638 -3.070 6.967 307 H GLY 43 H GLY 43 11.010 -4.290 4.759 308 HA2 GLY 43 HA2 GLY 43 9.895 -2.117 6.466 309 HA3 GLY 43 HA3 GLY 43 9.131 -2.864 5.074 310 H ILE 44 H ILE 44 10.040 -5.533 6.514 311 HA ILE 44 HA ILE 44 7.534 -5.998 8.001 312 HB ILE 44 HB ILE 44 8.281 -8.331 8.129 313 HG12 ILE 44 HG12 ILE 44 10.625 -7.560 6.332 314 HG13 ILE 44 HG13 ILE 44 10.769 -7.898 8.060 315 HG21 ILE 44 HG21 ILE 44 8.345 -7.199 5.293 316 HG22 ILE 44 HG22 ILE 44 7.816 -8.819 5.788 317 HG23 ILE 44 HG23 ILE 44 6.880 -7.409 6.275 318 HD11 ILE 44 HD11 ILE 44 9.849 -9.874 5.938 319 HD12 ILE 44 HD12 ILE 44 11.381 -9.877 6.826 320 HD13 ILE 44 HD13 ILE 44 9.863 -10.188 7.691 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -23.818 -6.713 0.926 2 H2 LYS 1 H2 LYS 1 -25.083 -6.208 1.830 3 H3 LYS 1 H3 LYS 1 -23.864 -5.178 1.495 4 HA LYS 1 HA LYS 1 -23.690 -5.952 3.782 5 HB2 LYS 1 HB2 LYS 1 -23.471 -8.698 2.480 6 HB3 LYS 1 HB3 LYS 1 -23.123 -8.366 4.169 7 HG2 LYS 1 HG2 LYS 1 -25.848 -7.823 2.913 8 HG3 LYS 1 HG3 LYS 1 -25.410 -9.376 3.581 9 HD2 LYS 1 HD2 LYS 1 -25.292 -6.805 5.216 10 HD3 LYS 1 HD3 LYS 1 -26.744 -7.786 5.091 11 HE2 LYS 1 HE2 LYS 1 -24.074 -8.853 6.115 12 HE3 LYS 1 HE3 LYS 1 -25.337 -8.192 7.151 13 HZ1 LYS 1 HZ1 LYS 1 -25.712 -10.545 5.376 14 HZ2 LYS 1 HZ2 LYS 1 -26.840 -9.924 6.380 15 HZ3 LYS 1 HZ3 LYS 1 -25.494 -10.610 6.989 16 H LYS 2 H LYS 2 -21.941 -4.578 3.659 17 HA LYS 2 HA LYS 2 -19.277 -5.802 3.179 18 HB2 LYS 2 HB2 LYS 2 -20.386 -3.309 1.828 19 HB3 LYS 2 HB3 LYS 2 -18.676 -3.409 2.191 20 HG2 LYS 2 HG2 LYS 2 -20.160 -5.391 0.420 21 HG3 LYS 2 HG3 LYS 2 -19.198 -4.016 -0.117 22 HD2 LYS 2 HD2 LYS 2 -17.234 -5.087 1.244 23 HD3 LYS 2 HD3 LYS 2 -18.246 -6.535 1.284 24 HE2 LYS 2 HE2 LYS 2 -16.796 -6.837 -0.547 25 HE3 LYS 2 HE3 LYS 2 -18.361 -6.426 -1.251 26 HZ1 LYS 2 HZ1 LYS 2 -16.108 -4.514 -0.854 27 HZ2 LYS 2 HZ2 LYS 2 -17.538 -4.145 -1.558 28 HZ3 LYS 2 HZ3 LYS 2 -16.520 -5.190 -2.283 29 H VAL 3 H VAL 3 -17.707 -5.068 4.467 30 HA VAL 3 HA VAL 3 -18.396 -3.254 6.728 31 HB VAL 3 HB VAL 3 -15.912 -4.953 6.288 32 HG11 VAL 3 HG11 VAL 3 -15.453 -3.127 7.869 33 HG12 VAL 3 HG12 VAL 3 -16.940 -3.502 8.770 34 HG13 VAL 3 HG13 VAL 3 -15.585 -4.650 8.743 35 HG21 VAL 3 HG21 VAL 3 -17.893 -6.398 6.552 36 HG22 VAL 3 HG22 VAL 3 -16.912 -6.447 8.015 37 HG23 VAL 3 HG23 VAL 3 -18.398 -5.474 7.985 38 H CYS 4 H CYS 4 -16.373 -3.332 3.876 39 HA CYS 4 HA CYS 4 -15.790 -0.448 4.129 40 HB2 CYS 4 HB2 CYS 4 -13.914 -1.733 5.212 41 HB3 CYS 4 HB3 CYS 4 -13.613 -2.524 3.668 42 H ALA 5 H ALA 5 -15.046 0.498 2.127 43 HA ALA 5 HA ALA 5 -16.340 -0.586 -0.248 44 HB1 ALA 5 HB1 ALA 5 -15.627 1.547 -1.255 45 HB2 ALA 5 HB2 ALA 5 -16.379 1.814 0.328 46 HB3 ALA 5 HB3 ALA 5 -14.608 1.893 0.160 47 H CYS 6 H CYS 6 -12.982 -0.555 0.919 48 HA CYS 6 HA CYS 6 -11.663 -0.992 -1.529 49 HB2 CYS 6 HB2 CYS 6 -11.073 -1.418 1.421 50 HB3 CYS 6 HB3 CYS 6 -9.931 -1.923 0.214 51 HA PRO 7 HA PRO 7 -12.249 -5.294 -2.287 52 HB2 PRO 7 HB2 PRO 7 -9.935 -6.062 -3.513 53 HB3 PRO 7 HB3 PRO 7 -11.102 -4.926 -4.243 54 HG2 PRO 7 HG2 PRO 7 -8.512 -4.307 -2.807 55 HG3 PRO 7 HG3 PRO 7 -9.148 -3.578 -4.312 56 HD2 PRO 7 HD2 PRO 7 -9.378 -2.478 -1.778 57 HD3 PRO 7 HD3 PRO 7 -10.510 -2.100 -3.097 58 H LYS 8 H LYS 8 -12.097 -7.195 -1.232 59 HA LYS 8 HA LYS 8 -10.530 -7.437 1.187 60 HB2 LYS 8 HB2 LYS 8 -11.748 -9.544 1.445 61 HB3 LYS 8 HB3 LYS 8 -12.835 -8.211 1.087 62 HG2 LYS 8 HG2 LYS 8 -13.241 -8.988 -1.139 63 HG3 LYS 8 HG3 LYS 8 -11.834 -10.055 -1.119 64 HD2 LYS 8 HD2 LYS 8 -13.885 -11.350 -0.943 65 HD3 LYS 8 HD3 LYS 8 -12.892 -11.532 0.509 66 HE2 LYS 8 HE2 LYS 8 -14.330 -9.876 1.693 67 HE3 LYS 8 HE3 LYS 8 -15.320 -9.696 0.238 68 HZ1 LYS 8 HZ1 LYS 8 -14.977 -12.228 1.761 69 HZ2 LYS 8 HZ2 LYS 8 -15.910 -12.052 0.431 70 HZ3 LYS 8 HZ3 LYS 8 -16.301 -11.278 1.812 71 H ILE 9 H ILE 9 -9.491 -7.885 -1.776 72 HA ILE 9 HA ILE 9 -8.181 -10.462 -1.744 73 HB ILE 9 HB ILE 9 -7.179 -8.138 -3.378 74 HG12 ILE 9 HG12 ILE 9 -9.451 -9.943 -4.333 75 HG13 ILE 9 HG13 ILE 9 -9.757 -8.355 -3.650 76 HG21 ILE 9 HG21 ILE 9 -5.887 -10.256 -3.435 77 HG22 ILE 9 HG22 ILE 9 -7.341 -11.134 -3.942 78 HG23 ILE 9 HG23 ILE 9 -6.599 -9.922 -5.001 79 HD11 ILE 9 HD11 ILE 9 -8.175 -8.881 -6.182 80 HD12 ILE 9 HD12 ILE 9 -9.767 -8.128 -6.021 81 HD13 ILE 9 HD13 ILE 9 -8.334 -7.295 -5.388 82 H LEU 10 H LEU 10 -6.168 -10.982 -1.256 83 HA LEU 10 HA LEU 10 -4.534 -9.253 0.554 84 HB2 LEU 10 HB2 LEU 10 -4.515 -12.226 -0.090 85 HB3 LEU 10 HB3 LEU 10 -3.284 -11.461 0.909 86 HG LEU 10 HG LEU 10 -6.244 -11.294 1.614 87 HD11 LEU 10 HD11 LEU 10 -5.836 -13.160 3.174 88 HD12 LEU 10 HD12 LEU 10 -4.197 -13.365 2.509 89 HD13 LEU 10 HD13 LEU 10 -5.624 -13.662 1.491 90 HD21 LEU 10 HD21 LEU 10 -5.361 -10.875 3.881 91 HD22 LEU 10 HD22 LEU 10 -4.737 -9.669 2.750 92 HD23 LEU 10 HD23 LEU 10 -3.696 -11.010 3.277 93 H LYS 11 H LYS 11 -3.897 -7.820 -1.214 94 HA LYS 11 HA LYS 11 -1.505 -8.908 -2.686 95 HB2 LYS 11 HB2 LYS 11 -3.733 -7.167 -3.783 96 HB3 LYS 11 HB3 LYS 11 -2.119 -7.205 -4.494 97 HG2 LYS 11 HG2 LYS 11 -2.280 -9.594 -4.949 98 HG3 LYS 11 HG3 LYS 11 -3.826 -9.683 -4.117 99 HD2 LYS 11 HD2 LYS 11 -4.295 -9.651 -6.471 100 HD3 LYS 11 HD3 LYS 11 -4.826 -8.125 -5.776 101 HE2 LYS 11 HE2 LYS 11 -3.797 -7.593 -7.848 102 HE3 LYS 11 HE3 LYS 11 -2.682 -7.059 -6.594 103 HZ1 LYS 11 HZ1 LYS 11 -1.385 -9.104 -6.996 104 HZ2 LYS 11 HZ2 LYS 11 -1.537 -8.252 -8.377 105 HZ3 LYS 11 HZ3 LYS 11 -2.442 -9.587 -8.148 106 HA PRO 12 HA PRO 12 -0.677 -5.354 0.160 107 HB2 PRO 12 HB2 PRO 12 1.597 -6.304 1.395 108 HB3 PRO 12 HB3 PRO 12 -0.069 -6.706 1.909 109 HG2 PRO 12 HG2 PRO 12 1.771 -8.322 0.145 110 HG3 PRO 12 HG3 PRO 12 0.789 -8.875 1.546 111 HD2 PRO 12 HD2 PRO 12 -0.060 -9.200 -1.019 112 HD3 PRO 12 HD3 PRO 12 -1.211 -8.797 0.289 113 H VAL 13 H VAL 13 1.163 -3.933 0.352 114 HA VAL 13 HA VAL 13 2.980 -3.782 -2.002 115 HB VAL 13 HB VAL 13 2.193 -1.545 -2.583 116 HG11 VAL 13 HG11 VAL 13 0.165 -2.099 -3.744 117 HG12 VAL 13 HG12 VAL 13 1.188 -3.540 -3.728 118 HG13 VAL 13 HG13 VAL 13 -0.197 -3.419 -2.625 119 HG21 VAL 13 HG21 VAL 13 1.263 -0.722 -0.492 120 HG22 VAL 13 HG22 VAL 13 0.003 -0.692 -1.722 121 HG23 VAL 13 HG23 VAL 13 0.005 -1.975 -0.504 122 H CYS 14 H CYS 14 4.586 -2.134 -1.817 123 HA CYS 14 HA CYS 14 5.117 -1.201 0.977 124 HB2 CYS 14 HB2 CYS 14 6.848 -2.605 -0.327 125 HB3 CYS 14 HB3 CYS 14 7.063 -1.193 -1.343 126 H GLY 15 H GLY 15 4.287 0.828 1.279 127 HA2 GLY 15 HA2 GLY 15 3.898 2.765 -0.919 128 HA3 GLY 15 HA3 GLY 15 3.607 3.047 0.786 129 H SER 16 H SER 16 4.929 4.942 -0.977 130 HA SER 16 HA SER 16 7.789 4.665 -0.720 131 HB2 SER 16 HB2 SER 16 7.998 6.814 -1.699 132 HB3 SER 16 HB3 SER 16 6.713 5.931 -2.536 133 HG SER 16 HG SER 16 6.149 8.115 -2.050 134 H ASP 17 H ASP 17 5.578 5.622 1.645 135 HA ASP 17 HA ASP 17 7.308 7.139 3.404 136 HB2 ASP 17 HB2 ASP 17 4.831 6.935 3.627 137 HB3 ASP 17 HB3 ASP 17 5.018 5.230 4.034 138 H GLY 18 H GLY 18 7.493 3.870 2.332 139 HA2 GLY 18 HA2 GLY 18 9.219 2.343 2.789 140 HA3 GLY 18 HA3 GLY 18 9.635 3.204 4.268 141 H ARG 19 H ARG 19 6.307 2.391 3.694 142 HA ARG 19 HA ARG 19 6.360 0.278 5.825 143 HB2 ARG 19 HB2 ARG 19 5.455 2.669 6.310 144 HB3 ARG 19 HB3 ARG 19 4.065 2.193 5.327 145 HG2 ARG 19 HG2 ARG 19 3.559 0.355 6.897 146 HG3 ARG 19 HG3 ARG 19 5.011 0.737 7.836 147 HD2 ARG 19 HD2 ARG 19 2.587 2.538 7.418 148 HD3 ARG 19 HD3 ARG 19 2.951 1.641 8.884 149 HE ARG 19 HE ARG 19 4.233 4.121 7.917 150 HH11 ARG 19 HH11 ARG 19 4.572 1.543 10.265 151 HH12 ARG 19 HH12 ARG 19 5.722 2.445 11.211 152 HH21 ARG 19 HH21 ARG 19 5.669 5.187 9.113 153 HH22 ARG 19 HH22 ARG 19 6.310 4.498 10.583 154 H THR 20 H THR 20 4.579 -1.165 5.814 155 HA THR 20 HA THR 20 3.586 -1.901 3.081 156 HB THR 20 HB THR 20 4.356 -3.753 5.363 157 HG1 THR 20 HG1 THR 20 6.070 -4.240 4.162 158 HG21 THR 20 HG21 THR 20 4.022 -5.581 3.729 159 HG22 THR 20 HG22 THR 20 3.388 -4.419 2.544 160 HG23 THR 20 HG23 THR 20 2.504 -4.747 4.051 161 H TYR 21 H TYR 21 1.484 -2.080 2.787 162 HA TYR 21 HA TYR 21 -0.338 -2.480 5.105 163 HB2 TYR 21 HB2 TYR 21 -1.007 -0.882 2.636 164 HB3 TYR 21 HB3 TYR 21 -1.861 -0.987 4.173 165 HD1 TYR 21 HD2 TYR 21 1.028 0.534 2.419 166 HD2 TYR 21 HD1 TYR 21 -1.288 0.430 6.061 167 HE1 TYR 21 HE2 TYR 21 2.053 2.685 3.129 168 HE2 TYR 21 HE1 TYR 21 -0.253 2.591 6.766 169 HH TYR 21 HH TYR 21 2.095 4.342 4.714 170 H ALA 22 H ALA 22 -2.596 -3.242 4.182 171 HA ALA 22 HA ALA 22 -1.955 -5.897 3.286 172 HB1 ALA 22 HB1 ALA 22 -3.665 -5.342 4.995 173 HB2 ALA 22 HB2 ALA 22 -4.665 -4.563 3.745 174 HB3 ALA 22 HB3 ALA 22 -4.347 -6.308 3.675 175 H ASN 23 H ASN 23 -2.992 -3.138 1.489 176 HA ASN 23 HA ASN 23 -2.688 -4.442 -1.027 177 HB2 ASN 23 HB2 ASN 23 -5.194 -4.845 -0.156 178 HB3 ASN 23 HB3 ASN 23 -5.376 -3.168 -0.782 179 HD21 ASN 23 HD21 ASN 23 -6.225 -6.184 -1.567 180 HD22 ASN 23 HD22 ASN 23 -5.976 -6.043 -3.311 181 H SER 24 H SER 24 -3.621 -2.659 -2.763 182 HA SER 24 HA SER 24 -2.177 -0.242 -2.139 183 HB2 SER 24 HB2 SER 24 -2.805 0.508 -4.420 184 HB3 SER 24 HB3 SER 24 -2.122 -1.130 -4.420 185 HG SER 24 HG SER 24 -4.030 -1.023 -5.684 186 H CYS 25 H CYS 25 -5.584 -0.986 -2.426 187 HA CYS 25 HA CYS 25 -6.771 1.522 -2.296 188 HB2 CYS 25 HB2 CYS 25 -7.742 -0.810 -2.540 189 HB3 CYS 25 HB3 CYS 25 -7.786 -0.927 -0.804 190 H ILE 26 H ILE 26 -5.797 -0.432 0.313 191 HA ILE 26 HA ILE 26 -6.507 1.421 2.480 192 HB ILE 26 HB ILE 26 -6.294 -1.091 2.757 193 HG12 ILE 26 HG12 ILE 26 -5.356 -1.001 5.084 194 HG13 ILE 26 HG13 ILE 26 -4.888 0.674 4.790 195 HG21 ILE 26 HG21 ILE 26 -4.247 -2.115 3.386 196 HG22 ILE 26 HG22 ILE 26 -4.377 -1.654 1.687 197 HG23 ILE 26 HG23 ILE 26 -3.378 -0.687 2.790 198 HD11 ILE 26 HD11 ILE 26 -7.279 1.289 4.506 199 HD12 ILE 26 HD12 ILE 26 -7.744 -0.424 4.647 200 HD13 ILE 26 HD13 ILE 26 -7.046 0.430 6.035 201 H ALA 27 H ALA 27 -3.483 0.539 0.999 202 HA ALA 27 HA ALA 27 -1.716 2.279 2.360 203 HB1 ALA 27 HB1 ALA 27 -0.206 2.067 0.453 204 HB2 ALA 27 HB2 ALA 27 -0.987 0.510 0.777 205 HB3 ALA 27 HB3 ALA 27 -1.528 1.507 -0.586 206 H ARG 28 H ARG 28 -3.476 3.037 -0.664 207 HA ARG 28 HA ARG 28 -2.633 5.750 -0.901 208 HB2 ARG 28 HB2 ARG 28 -4.395 6.056 -2.475 209 HB3 ARG 28 HB3 ARG 28 -3.618 4.496 -2.745 210 HG2 ARG 28 HG2 ARG 28 -5.483 3.314 -1.736 211 HG3 ARG 28 HG3 ARG 28 -6.265 4.809 -1.243 212 HD2 ARG 28 HD2 ARG 28 -5.752 3.992 -4.132 213 HD3 ARG 28 HD3 ARG 28 -7.278 3.787 -3.254 214 HE ARG 28 HE ARG 28 -6.224 6.535 -3.301 215 HH11 ARG 28 HH11 ARG 28 -8.368 4.354 -4.993 216 HH12 ARG 28 HH12 ARG 28 -9.295 5.659 -5.683 217 HH21 ARG 28 HH21 ARG 28 -7.440 8.146 -4.187 218 HH22 ARG 28 HH22 ARG 28 -8.765 7.750 -5.239 219 H CYS 29 H CYS 29 -5.087 4.470 1.129 220 HA CYS 29 HA CYS 29 -6.613 6.784 1.718 221 HB2 CYS 29 HB2 CYS 29 -6.944 4.328 2.406 222 HB3 CYS 29 HB3 CYS 29 -5.882 4.669 3.763 223 H ASN 30 H ASN 30 -3.427 5.846 2.936 224 HA ASN 30 HA ASN 30 -3.187 7.980 4.913 225 HB2 ASN 30 HB2 ASN 30 -1.401 5.817 3.750 226 HB3 ASN 30 HB3 ASN 30 -0.702 7.142 4.635 227 HD21 ASN 30 HD21 ASN 30 -2.677 4.232 4.965 228 HD22 ASN 30 HD22 ASN 30 -2.716 4.324 6.722 229 H GLY 31 H GLY 31 -3.277 8.219 1.568 230 HA2 GLY 31 HA2 GLY 31 -3.011 10.159 0.335 231 HA3 GLY 31 HA3 GLY 31 -2.082 10.894 1.636 232 H VAL 32 H VAL 32 -0.985 7.773 0.602 233 HA VAL 32 HA VAL 32 1.231 8.958 -1.036 234 HB VAL 32 HB VAL 32 1.755 6.629 0.771 235 HG11 VAL 32 HG11 VAL 32 3.480 8.892 -0.298 236 HG12 VAL 32 HG12 VAL 32 4.048 7.567 0.736 237 HG13 VAL 32 HG13 VAL 32 3.448 7.211 -0.878 238 HG21 VAL 32 HG21 VAL 32 2.674 8.173 2.520 239 HG22 VAL 32 HG22 VAL 32 1.934 9.545 1.665 240 HG23 VAL 32 HG23 VAL 32 0.920 8.279 2.400 241 H SER 33 H SER 33 2.175 7.583 -2.598 242 HA SER 33 HA SER 33 0.421 5.523 -3.730 243 HB2 SER 33 HB2 SER 33 2.282 5.765 -5.538 244 HB3 SER 33 HB3 SER 33 1.054 7.013 -5.373 245 HG SER 33 HG SER 33 3.191 7.871 -5.557 246 H ILE 34 H ILE 34 1.406 3.538 -4.605 247 HA ILE 34 HA ILE 34 3.160 2.240 -2.781 248 HB ILE 34 HB ILE 34 2.692 0.368 -3.901 249 HG12 ILE 34 HG12 ILE 34 1.614 1.734 -6.380 250 HG13 ILE 34 HG13 ILE 34 3.205 0.969 -6.244 251 HG21 ILE 34 HG21 ILE 34 0.294 0.211 -3.901 252 HG22 ILE 34 HG22 ILE 34 0.760 1.433 -2.717 253 HG23 ILE 34 HG23 ILE 34 0.115 1.918 -4.301 254 HD11 ILE 34 HD11 ILE 34 0.549 -0.470 -6.058 255 HD12 ILE 34 HD12 ILE 34 1.782 -0.595 -7.321 256 HD13 ILE 34 HD13 ILE 34 2.133 -1.202 -5.692 257 H LYS 35 H LYS 35 5.270 2.081 -2.860 258 HA LYS 35 HA LYS 35 6.912 3.207 -5.052 259 HB2 LYS 35 HB2 LYS 35 7.437 3.287 -2.512 260 HB3 LYS 35 HB3 LYS 35 7.915 1.593 -2.672 261 HG2 LYS 35 HG2 LYS 35 9.515 2.320 -4.513 262 HG3 LYS 35 HG3 LYS 35 9.052 3.999 -4.171 263 HD2 LYS 35 HD2 LYS 35 9.797 3.586 -1.759 264 HD3 LYS 35 HD3 LYS 35 10.473 2.048 -2.302 265 HE2 LYS 35 HE2 LYS 35 11.228 4.834 -3.312 266 HE3 LYS 35 HE3 LYS 35 12.165 3.861 -2.179 267 HZ1 LYS 35 HZ1 LYS 35 11.628 3.140 -5.012 268 HZ2 LYS 35 HZ2 LYS 35 12.454 2.199 -3.956 269 HZ3 LYS 35 HZ3 LYS 35 13.052 3.648 -4.408 270 H SER 36 H SER 36 6.057 0.038 -3.720 271 HA SER 36 HA SER 36 6.380 -1.202 -6.355 272 HB2 SER 36 HB2 SER 36 7.683 -3.154 -5.405 273 HB3 SER 36 HB3 SER 36 8.580 -1.664 -5.643 274 HG SER 36 HG SER 36 8.518 -1.268 -3.445 275 H GLU 37 H GLU 37 5.528 -3.386 -6.467 276 HA GLU 37 HA GLU 37 3.175 -3.866 -4.777 277 HB2 GLU 37 HB2 GLU 37 4.346 -5.359 -7.156 278 HB3 GLU 37 HB3 GLU 37 2.814 -5.697 -6.376 279 HG2 GLU 37 HG2 GLU 37 1.963 -3.452 -7.022 280 HG3 GLU 37 HG3 GLU 37 3.483 -3.118 -7.854 281 H GLY 38 H GLY 38 2.892 -5.818 -3.631 282 HA2 GLY 38 HA2 GLY 38 3.466 -7.675 -2.387 283 HA3 GLY 38 HA3 GLY 38 5.114 -7.637 -3.023 284 H SER 39 H SER 39 4.404 -7.943 -0.292 285 HA SER 39 HA SER 39 5.073 -5.654 1.302 286 HB2 SER 39 HB2 SER 39 6.003 -8.478 1.827 287 HB3 SER 39 HB3 SER 39 5.707 -7.197 2.998 288 HG SER 39 HG SER 39 3.972 -8.710 2.931 289 H CYS 40 H CYS 40 7.009 -4.637 1.611 290 HA CYS 40 HA CYS 40 9.119 -5.213 -0.296 291 HB2 CYS 40 HB2 CYS 40 10.325 -3.318 1.143 292 HB3 CYS 40 HB3 CYS 40 9.146 -3.032 -0.109 293 HA PRO 41 HA PRO 41 11.804 -7.806 1.970 294 HB2 PRO 41 HB2 PRO 41 14.286 -7.175 0.987 295 HB3 PRO 41 HB3 PRO 41 13.016 -7.976 0.015 296 HG2 PRO 41 HG2 PRO 41 13.708 -5.021 0.093 297 HG3 PRO 41 HG3 PRO 41 13.475 -6.068 -1.345 298 HD2 PRO 41 HD2 PRO 41 11.467 -4.479 -0.394 299 HD3 PRO 41 HD3 PRO 41 11.126 -6.096 -1.056 300 H THR 42 H THR 42 12.792 -7.897 3.935 301 HA THR 42 HA THR 42 13.148 -5.516 5.494 302 HB THR 42 HB THR 42 14.205 -7.762 6.912 303 HG1 THR 42 HG1 THR 42 12.501 -9.236 6.670 304 HG21 THR 42 HG21 THR 42 12.792 -5.972 7.853 305 HG22 THR 42 HG22 THR 42 12.132 -7.575 8.212 306 HG23 THR 42 HG23 THR 42 11.396 -6.582 6.932 307 H GLY 43 H GLY 43 15.289 -6.840 3.404 308 HA2 GLY 43 HA2 GLY 43 17.726 -6.964 4.921 309 HA3 GLY 43 HA3 GLY 43 17.604 -6.958 3.166 310 H ILE 44 H ILE 44 16.381 -4.347 2.929 311 HA ILE 44 HA ILE 44 18.625 -2.513 3.699 312 HB ILE 44 HB ILE 44 17.091 -2.462 1.066 313 HG12 ILE 44 HG12 ILE 44 19.588 -2.717 0.213 314 HG13 ILE 44 HG13 ILE 44 19.877 -3.469 1.775 315 HG21 ILE 44 HG21 ILE 44 19.397 -0.756 2.125 316 HG22 ILE 44 HG22 ILE 44 18.695 -0.655 0.496 317 HG23 ILE 44 HG23 ILE 44 17.722 -0.211 1.889 318 HD11 ILE 44 HD11 ILE 44 19.422 -5.066 -0.095 319 HD12 ILE 44 HD12 ILE 44 18.235 -5.246 1.199 320 HD13 ILE 44 HD13 ILE 44 17.802 -4.372 -0.288 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -14.356 11.447 -5.281 2 H2 LYS 1 H2 LYS 1 -13.507 11.031 -6.613 3 H3 LYS 1 H3 LYS 1 -15.100 10.695 -6.533 4 HA LYS 1 HA LYS 1 -13.842 8.678 -6.175 5 HB2 LYS 1 HB2 LYS 1 -11.812 9.938 -5.328 6 HB3 LYS 1 HB3 LYS 1 -12.641 10.168 -3.806 7 HG2 LYS 1 HG2 LYS 1 -11.411 8.377 -3.234 8 HG3 LYS 1 HG3 LYS 1 -12.788 7.477 -3.846 9 HD2 LYS 1 HD2 LYS 1 -10.227 8.125 -5.400 10 HD3 LYS 1 HD3 LYS 1 -10.552 6.612 -4.549 11 HE2 LYS 1 HE2 LYS 1 -12.553 6.247 -6.022 12 HE3 LYS 1 HE3 LYS 1 -12.096 7.686 -6.951 13 HZ1 LYS 1 HZ1 LYS 1 -10.390 5.273 -6.622 14 HZ2 LYS 1 HZ2 LYS 1 -10.009 6.595 -7.514 15 HZ3 LYS 1 HZ3 LYS 1 -11.249 5.636 -7.960 16 H LYS 2 H LYS 2 -16.010 7.992 -5.958 17 HA LYS 2 HA LYS 2 -17.505 8.473 -3.446 18 HB2 LYS 2 HB2 LYS 2 -18.158 7.071 -6.067 19 HB3 LYS 2 HB3 LYS 2 -19.154 6.862 -4.637 20 HG2 LYS 2 HG2 LYS 2 -20.205 8.538 -5.863 21 HG3 LYS 2 HG3 LYS 2 -19.466 9.333 -4.473 22 HD2 LYS 2 HD2 LYS 2 -17.657 10.211 -5.916 23 HD3 LYS 2 HD3 LYS 2 -18.270 9.259 -7.280 24 HE2 LYS 2 HE2 LYS 2 -19.001 11.494 -7.631 25 HE3 LYS 2 HE3 LYS 2 -20.417 10.546 -7.174 26 HZ1 LYS 2 HZ1 LYS 2 -20.212 11.468 -4.917 27 HZ2 LYS 2 HZ2 LYS 2 -20.337 12.674 -6.003 28 HZ3 LYS 2 HZ3 LYS 2 -18.889 12.331 -5.344 29 H VAL 3 H VAL 3 -15.740 5.732 -4.869 30 HA VAL 3 HA VAL 3 -16.704 3.707 -3.136 31 HB VAL 3 HB VAL 3 -14.566 2.539 -3.742 32 HG11 VAL 3 HG11 VAL 3 -15.212 2.172 -6.076 33 HG12 VAL 3 HG12 VAL 3 -16.638 2.254 -5.030 34 HG13 VAL 3 HG13 VAL 3 -16.208 3.642 -6.055 35 HG21 VAL 3 HG21 VAL 3 -13.136 3.386 -5.488 36 HG22 VAL 3 HG22 VAL 3 -14.073 4.883 -5.611 37 HG23 VAL 3 HG23 VAL 3 -13.114 4.539 -4.147 38 H CYS 4 H CYS 4 -16.014 2.845 -1.283 39 HA CYS 4 HA CYS 4 -13.841 4.115 0.311 40 HB2 CYS 4 HB2 CYS 4 -15.366 4.419 2.221 41 HB3 CYS 4 HB3 CYS 4 -15.771 5.435 0.844 42 H ALA 5 H ALA 5 -16.278 1.502 0.188 43 HA ALA 5 HA ALA 5 -14.942 -0.234 2.066 44 HB1 ALA 5 HB1 ALA 5 -17.338 -0.385 1.617 45 HB2 ALA 5 HB2 ALA 5 -17.020 -0.811 -0.082 46 HB3 ALA 5 HB3 ALA 5 -16.525 -1.912 1.222 47 H CYS 6 H CYS 6 -12.740 -0.245 1.413 48 HA CYS 6 HA CYS 6 -11.736 -1.090 -1.065 49 HB2 CYS 6 HB2 CYS 6 -10.733 -0.941 1.799 50 HB3 CYS 6 HB3 CYS 6 -9.732 -1.642 0.567 51 HA PRO 7 HA PRO 7 -12.219 -5.512 -0.919 52 HB2 PRO 7 HB2 PRO 7 -10.228 -6.379 -2.553 53 HB3 PRO 7 HB3 PRO 7 -11.586 -5.407 -3.165 54 HG2 PRO 7 HG2 PRO 7 -8.805 -4.487 -2.434 55 HG3 PRO 7 HG3 PRO 7 -9.769 -4.056 -3.878 56 HD2 PRO 7 HD2 PRO 7 -9.588 -2.503 -1.587 57 HD3 PRO 7 HD3 PRO 7 -10.995 -2.447 -2.673 58 H LYS 8 H LYS 8 -11.102 -7.517 -0.324 59 HA LYS 8 HA LYS 8 -9.201 -7.081 1.936 60 HB2 LYS 8 HB2 LYS 8 -11.756 -8.120 1.957 61 HB3 LYS 8 HB3 LYS 8 -10.800 -9.593 1.816 62 HG2 LYS 8 HG2 LYS 8 -9.396 -8.600 3.814 63 HG3 LYS 8 HG3 LYS 8 -10.706 -7.424 3.949 64 HD2 LYS 8 HD2 LYS 8 -11.278 -9.087 5.505 65 HD3 LYS 8 HD3 LYS 8 -12.305 -9.463 4.109 66 HE2 LYS 8 HE2 LYS 8 -10.590 -11.159 3.373 67 HE3 LYS 8 HE3 LYS 8 -9.621 -10.765 4.797 68 HZ1 LYS 8 HZ1 LYS 8 -10.973 -12.722 5.205 69 HZ2 LYS 8 HZ2 LYS 8 -12.356 -11.930 4.854 70 HZ3 LYS 8 HZ3 LYS 8 -11.493 -11.525 6.184 71 H ILE 9 H ILE 9 -8.643 -7.856 -1.000 72 HA ILE 9 HA ILE 9 -7.591 -10.495 -1.137 73 HB ILE 9 HB ILE 9 -6.430 -8.167 -2.661 74 HG12 ILE 9 HG12 ILE 9 -8.860 -9.777 -3.590 75 HG13 ILE 9 HG13 ILE 9 -8.999 -8.195 -2.842 76 HG21 ILE 9 HG21 ILE 9 -5.227 -10.283 -2.956 77 HG22 ILE 9 HG22 ILE 9 -6.747 -11.105 -3.391 78 HG23 ILE 9 HG23 ILE 9 -6.045 -9.858 -4.437 79 HD11 ILE 9 HD11 ILE 9 -7.562 -7.213 -4.647 80 HD12 ILE 9 HD12 ILE 9 -7.657 -8.775 -5.496 81 HD13 ILE 9 HD13 ILE 9 -9.130 -7.850 -5.184 82 H LEU 10 H LEU 10 -5.673 -11.315 -0.792 83 HA LEU 10 HA LEU 10 -3.689 -9.972 0.986 84 HB2 LEU 10 HB2 LEU 10 -3.991 -12.846 0.037 85 HB3 LEU 10 HB3 LEU 10 -2.621 -12.283 0.991 86 HG LEU 10 HG LEU 10 -5.509 -12.072 1.955 87 HD11 LEU 10 HD11 LEU 10 -4.869 -14.429 1.648 88 HD12 LEU 10 HD12 LEU 10 -4.969 -14.020 3.368 89 HD13 LEU 10 HD13 LEU 10 -3.380 -14.159 2.582 90 HD21 LEU 10 HD21 LEU 10 -3.973 -10.505 3.100 91 HD22 LEU 10 HD22 LEU 10 -2.821 -11.827 3.391 92 HD23 LEU 10 HD23 LEU 10 -4.411 -11.827 4.182 93 H LYS 11 H LYS 11 -3.318 -8.421 -0.785 94 HA LYS 11 HA LYS 11 -0.905 -9.287 -2.288 95 HB2 LYS 11 HB2 LYS 11 -2.772 -9.378 -3.893 96 HB3 LYS 11 HB3 LYS 11 -3.208 -7.721 -3.520 97 HG2 LYS 11 HG2 LYS 11 -1.967 -8.004 -5.664 98 HG3 LYS 11 HG3 LYS 11 -1.230 -6.854 -4.569 99 HD2 LYS 11 HD2 LYS 11 0.462 -8.208 -5.679 100 HD3 LYS 11 HD3 LYS 11 0.504 -8.495 -3.940 101 HE2 LYS 11 HE2 LYS 11 -0.844 -10.589 -4.282 102 HE3 LYS 11 HE3 LYS 11 -0.859 -10.275 -6.022 103 HZ1 LYS 11 HZ1 LYS 11 1.587 -10.765 -4.400 104 HZ2 LYS 11 HZ2 LYS 11 1.573 -10.471 -6.009 105 HZ3 LYS 11 HZ3 LYS 11 0.900 -11.834 -5.421 106 HA PRO 12 HA PRO 12 -0.469 -5.510 0.309 107 HB2 PRO 12 HB2 PRO 12 1.796 -6.190 1.696 108 HB3 PRO 12 HB3 PRO 12 0.155 -6.711 2.182 109 HG2 PRO 12 HG2 PRO 12 2.211 -8.242 0.586 110 HG3 PRO 12 HG3 PRO 12 1.235 -8.803 1.992 111 HD2 PRO 12 HD2 PRO 12 0.529 -9.354 -0.592 112 HD3 PRO 12 HD3 PRO 12 -0.699 -9.036 0.668 113 H VAL 13 H VAL 13 1.173 -3.921 0.318 114 HA VAL 13 HA VAL 13 3.076 -3.944 -1.978 115 HB VAL 13 HB VAL 13 2.107 -1.961 -2.973 116 HG11 VAL 13 HG11 VAL 13 0.123 -2.943 -3.999 117 HG12 VAL 13 HG12 VAL 13 1.327 -4.215 -3.733 118 HG13 VAL 13 HG13 VAL 13 -0.072 -4.059 -2.655 119 HG21 VAL 13 HG21 VAL 13 -0.141 -1.137 -2.375 120 HG22 VAL 13 HG22 VAL 13 -0.159 -2.198 -0.950 121 HG23 VAL 13 HG23 VAL 13 1.017 -0.869 -1.073 122 H CYS 14 H CYS 14 4.602 -2.345 -1.990 123 HA CYS 14 HA CYS 14 5.208 -1.155 0.663 124 HB2 CYS 14 HB2 CYS 14 6.929 -2.523 -0.651 125 HB3 CYS 14 HB3 CYS 14 6.977 -1.190 -1.801 126 H GLY 15 H GLY 15 4.542 0.860 1.032 127 HA2 GLY 15 HA2 GLY 15 3.854 2.725 -1.139 128 HA3 GLY 15 HA3 GLY 15 3.705 3.034 0.581 129 H SER 16 H SER 16 4.661 4.932 -1.211 130 HA SER 16 HA SER 16 7.462 5.154 -1.458 131 HB2 SER 16 HB2 SER 16 5.405 7.368 -1.160 132 HB3 SER 16 HB3 SER 16 7.062 7.570 -1.763 133 HG SER 16 HG SER 16 5.482 7.290 -3.445 134 H ASP 17 H ASP 17 5.595 5.611 1.424 135 HA ASP 17 HA ASP 17 7.627 7.050 2.972 136 HB2 ASP 17 HB2 ASP 17 4.948 5.787 3.492 137 HB3 ASP 17 HB3 ASP 17 6.042 5.917 4.853 138 H GLY 18 H GLY 18 7.530 3.860 1.830 139 HA2 GLY 18 HA2 GLY 18 9.157 2.230 2.113 140 HA3 GLY 18 HA3 GLY 18 9.742 3.015 3.576 141 H ARG 19 H ARG 19 6.484 2.787 4.001 142 HA ARG 19 HA ARG 19 6.618 0.260 5.564 143 HB2 ARG 19 HB2 ARG 19 5.284 2.739 5.972 144 HB3 ARG 19 HB3 ARG 19 3.997 1.609 5.564 145 HG2 ARG 19 HG2 ARG 19 4.859 0.049 7.355 146 HG3 ARG 19 HG3 ARG 19 6.133 1.223 7.711 147 HD2 ARG 19 HD2 ARG 19 4.507 1.588 9.357 148 HD3 ARG 19 HD3 ARG 19 4.303 2.922 8.210 149 HE ARG 19 HE ARG 19 2.542 0.771 7.484 150 HH11 ARG 19 HH11 ARG 19 2.814 3.161 10.016 151 HH12 ARG 19 HH12 ARG 19 1.118 3.083 10.410 152 HH21 ARG 19 HH21 ARG 19 0.402 0.683 8.040 153 HH22 ARG 19 HH22 ARG 19 -0.211 1.717 9.297 154 H THR 20 H THR 20 4.768 -1.201 5.472 155 HA THR 20 HA THR 20 3.739 -1.651 2.693 156 HB THR 20 HB THR 20 4.490 -3.698 4.808 157 HG1 THR 20 HG1 THR 20 6.224 -2.860 3.629 158 HG21 THR 20 HG21 THR 20 2.519 -4.507 3.531 159 HG22 THR 20 HG22 THR 20 3.980 -5.402 3.134 160 HG23 THR 20 HG23 THR 20 3.382 -4.166 2.009 161 H TYR 21 H TYR 21 1.555 -1.894 2.413 162 HA TYR 21 HA TYR 21 -0.212 -2.134 4.777 163 HB2 TYR 21 HB2 TYR 21 -0.841 -0.791 2.136 164 HB3 TYR 21 HB3 TYR 21 -1.716 -0.726 3.651 165 HD1 TYR 21 HD2 TYR 21 1.186 0.609 1.800 166 HD2 TYR 21 HD1 TYR 21 -1.107 0.797 5.455 167 HE1 TYR 21 HE2 TYR 21 2.319 2.748 2.415 168 HE2 TYR 21 HE1 TYR 21 0.033 2.929 6.057 169 HH TYR 21 HH TYR 21 1.583 4.506 5.432 170 H ALA 22 H ALA 22 -2.359 -3.139 4.114 171 HA ALA 22 HA ALA 22 -1.770 -5.784 3.275 172 HB1 ALA 22 HB1 ALA 22 -4.169 -6.168 3.676 173 HB2 ALA 22 HB2 ALA 22 -3.498 -5.129 4.950 174 HB3 ALA 22 HB3 ALA 22 -4.487 -4.428 3.640 175 H ASN 23 H ASN 23 -3.014 -3.118 1.359 176 HA ASN 23 HA ASN 23 -2.671 -4.460 -1.110 177 HB2 ASN 23 HB2 ASN 23 -5.055 -4.153 -1.890 178 HB3 ASN 23 HB3 ASN 23 -4.695 -5.583 -0.924 179 HD21 ASN 23 HD21 ASN 23 -7.121 -3.483 -1.406 180 HD22 ASN 23 HD22 ASN 23 -7.814 -3.696 0.214 181 H SER 24 H SER 24 -3.526 -3.035 -2.955 182 HA SER 24 HA SER 24 -2.358 -0.569 -2.633 183 HB2 SER 24 HB2 SER 24 -2.602 -1.739 -4.787 184 HB3 SER 24 HB3 SER 24 -4.332 -1.364 -4.813 185 HG SER 24 HG SER 24 -3.842 0.805 -5.061 186 H CYS 25 H CYS 25 -5.807 -1.229 -2.638 187 HA CYS 25 HA CYS 25 -6.924 1.345 -2.509 188 HB2 CYS 25 HB2 CYS 25 -7.953 -0.993 -2.694 189 HB3 CYS 25 HB3 CYS 25 -7.930 -1.057 -0.950 190 H ILE 26 H ILE 26 -5.882 -0.692 0.045 191 HA ILE 26 HA ILE 26 -6.628 1.111 2.205 192 HB ILE 26 HB ILE 26 -6.036 -1.570 2.207 193 HG12 ILE 26 HG12 ILE 26 -5.980 -1.434 4.733 194 HG13 ILE 26 HG13 ILE 26 -5.842 0.312 4.605 195 HG21 ILE 26 HG21 ILE 26 -4.186 -2.113 3.533 196 HG22 ILE 26 HG22 ILE 26 -3.596 -1.212 2.137 197 HG23 ILE 26 HG23 ILE 26 -3.749 -0.405 3.726 198 HD11 ILE 26 HD11 ILE 26 -8.163 -0.447 5.132 199 HD12 ILE 26 HD12 ILE 26 -8.127 0.420 3.591 200 HD13 ILE 26 HD13 ILE 26 -8.211 -1.360 3.610 201 H ALA 27 H ALA 27 -3.579 0.487 0.631 202 HA ALA 27 HA ALA 27 -1.900 2.248 2.108 203 HB1 ALA 27 HB1 ALA 27 -1.113 0.619 0.380 204 HB2 ALA 27 HB2 ALA 27 -1.767 1.665 -0.888 205 HB3 ALA 27 HB3 ALA 27 -0.453 2.249 0.146 206 H ARG 28 H ARG 28 -3.701 2.987 -0.907 207 HA ARG 28 HA ARG 28 -3.202 5.806 -0.870 208 HB2 ARG 28 HB2 ARG 28 -4.919 6.028 -2.532 209 HB3 ARG 28 HB3 ARG 28 -3.885 4.648 -2.889 210 HG2 ARG 28 HG2 ARG 28 -5.613 3.101 -2.019 211 HG3 ARG 28 HG3 ARG 28 -6.679 4.452 -1.655 212 HD2 ARG 28 HD2 ARG 28 -5.662 3.649 -4.406 213 HD3 ARG 28 HD3 ARG 28 -7.295 3.371 -3.777 214 HE ARG 28 HE ARG 28 -7.105 6.072 -3.543 215 HH11 ARG 28 HH11 ARG 28 -6.545 4.032 -6.319 216 HH12 ARG 28 HH12 ARG 28 -6.758 5.339 -7.449 217 HH21 ARG 28 HH21 ARG 28 -7.321 7.709 -5.005 218 HH22 ARG 28 HH22 ARG 28 -7.176 7.384 -6.704 219 H CYS 29 H CYS 29 -5.862 3.987 0.610 220 HA CYS 29 HA CYS 29 -7.311 6.239 1.596 221 HB2 CYS 29 HB2 CYS 29 -8.089 3.869 1.413 222 HB3 CYS 29 HB3 CYS 29 -7.095 3.457 2.802 223 H ASN 30 H ASN 30 -4.634 4.381 3.040 224 HA ASN 30 HA ASN 30 -4.464 5.759 5.546 225 HB2 ASN 30 HB2 ASN 30 -2.850 3.802 4.003 226 HB3 ASN 30 HB3 ASN 30 -1.859 4.932 4.884 227 HD21 ASN 30 HD21 ASN 30 -4.479 2.559 5.242 228 HD22 ASN 30 HD22 ASN 30 -4.164 2.280 6.964 229 H GLY 31 H GLY 31 -3.515 6.819 2.382 230 HA2 GLY 31 HA2 GLY 31 -3.333 9.224 2.079 231 HA3 GLY 31 HA3 GLY 31 -2.405 9.345 3.563 232 H VAL 32 H VAL 32 -1.357 6.676 1.636 233 HA VAL 32 HA VAL 32 0.754 8.318 0.294 234 HB VAL 32 HB VAL 32 1.455 5.645 1.469 235 HG11 VAL 32 HG11 VAL 32 3.101 8.113 0.795 236 HG12 VAL 32 HG12 VAL 32 3.733 6.610 1.488 237 HG13 VAL 32 HG13 VAL 32 3.043 6.591 -0.125 238 HG21 VAL 32 HG21 VAL 32 2.481 6.777 3.444 239 HG22 VAL 32 HG22 VAL 32 1.702 8.299 2.962 240 HG23 VAL 32 HG23 VAL 32 0.726 6.896 3.465 241 H SER 33 H SER 33 1.657 7.400 -1.587 242 HA SER 33 HA SER 33 -0.079 5.579 -3.111 243 HB2 SER 33 HB2 SER 33 1.993 6.133 -4.742 244 HB3 SER 33 HB3 SER 33 0.552 7.140 -4.618 245 HG SER 33 HG SER 33 1.673 8.656 -3.581 246 H ILE 34 H ILE 34 0.722 3.659 -4.098 247 HA ILE 34 HA ILE 34 2.732 2.069 -2.784 248 HB ILE 34 HB ILE 34 1.213 0.631 -3.518 249 HG12 ILE 34 HG12 ILE 34 2.433 1.132 -6.252 250 HG13 ILE 34 HG13 ILE 34 3.200 0.275 -4.908 251 HG21 ILE 34 HG21 ILE 34 0.266 2.464 -5.756 252 HG22 ILE 34 HG22 ILE 34 -0.433 0.890 -5.337 253 HG23 ILE 34 HG23 ILE 34 -0.538 2.187 -4.177 254 HD11 ILE 34 HD11 ILE 34 1.239 -1.354 -5.007 255 HD12 ILE 34 HD12 ILE 34 0.799 -0.589 -6.547 256 HD13 ILE 34 HD13 ILE 34 2.366 -1.400 -6.376 257 H LYS 35 H LYS 35 4.851 2.175 -3.256 258 HA LYS 35 HA LYS 35 5.794 3.396 -5.801 259 HB2 LYS 35 HB2 LYS 35 6.955 3.754 -3.532 260 HB3 LYS 35 HB3 LYS 35 7.491 2.065 -3.654 261 HG2 LYS 35 HG2 LYS 35 8.426 2.680 -5.978 262 HG3 LYS 35 HG3 LYS 35 8.005 4.349 -5.609 263 HD2 LYS 35 HD2 LYS 35 10.032 4.545 -4.740 264 HD3 LYS 35 HD3 LYS 35 9.482 3.606 -3.353 265 HE2 LYS 35 HE2 LYS 35 10.233 1.514 -4.443 266 HE3 LYS 35 HE3 LYS 35 10.682 2.408 -5.899 267 HZ1 LYS 35 HZ1 LYS 35 12.357 3.595 -4.597 268 HZ2 LYS 35 HZ2 LYS 35 12.619 1.988 -4.508 269 HZ3 LYS 35 HZ3 LYS 35 11.955 2.775 -3.240 270 H SER 36 H SER 36 5.825 0.295 -4.077 271 HA SER 36 HA SER 36 6.107 -1.191 -6.668 272 HB2 SER 36 HB2 SER 36 7.644 -1.925 -4.164 273 HB3 SER 36 HB3 SER 36 7.792 -2.637 -5.770 274 HG SER 36 HG SER 36 9.488 -1.169 -5.367 275 H GLU 37 H GLU 37 5.471 -3.448 -6.588 276 HA GLU 37 HA GLU 37 3.296 -4.033 -4.728 277 HB2 GLU 37 HB2 GLU 37 3.024 -6.015 -6.178 278 HB3 GLU 37 HB3 GLU 37 2.844 -4.485 -7.012 279 HG2 GLU 37 HG2 GLU 37 5.102 -4.734 -7.998 280 HG3 GLU 37 HG3 GLU 37 5.362 -6.214 -7.073 281 H GLY 38 H GLY 38 3.181 -5.933 -3.497 282 HA2 GLY 38 HA2 GLY 38 3.934 -7.704 -2.221 283 HA3 GLY 38 HA3 GLY 38 5.561 -7.547 -2.894 284 H SER 39 H SER 39 4.899 -7.826 -0.133 285 HA SER 39 HA SER 39 5.490 -5.441 1.349 286 HB2 SER 39 HB2 SER 39 6.604 -8.164 2.014 287 HB3 SER 39 HB3 SER 39 6.149 -6.864 3.113 288 HG SER 39 HG SER 39 4.603 -8.587 3.069 289 H CYS 40 H CYS 40 7.355 -4.303 1.506 290 HA CYS 40 HA CYS 40 9.423 -4.873 -0.435 291 HB2 CYS 40 HB2 CYS 40 10.550 -2.851 0.978 292 HB3 CYS 40 HB3 CYS 40 9.443 -2.707 -0.363 293 HA PRO 41 HA PRO 41 12.452 -7.075 1.892 294 HB2 PRO 41 HB2 PRO 41 14.823 -6.234 0.807 295 HB3 PRO 41 HB3 PRO 41 13.627 -7.205 -0.102 296 HG2 PRO 41 HG2 PRO 41 13.988 -4.192 -0.139 297 HG3 PRO 41 HG3 PRO 41 13.867 -5.307 -1.540 298 HD2 PRO 41 HD2 PRO 41 11.705 -3.920 -0.615 299 HD3 PRO 41 HD3 PRO 41 11.533 -5.582 -1.225 300 H THR 42 H THR 42 14.267 -6.862 3.398 301 HA THR 42 HA THR 42 13.996 -4.427 5.058 302 HB THR 42 HB THR 42 15.324 -6.947 6.028 303 HG1 THR 42 HG1 THR 42 13.274 -7.762 6.531 304 HG21 THR 42 HG21 THR 42 15.098 -5.021 7.604 305 HG22 THR 42 HG22 THR 42 14.101 -6.382 8.114 306 HG23 THR 42 HG23 THR 42 13.350 -4.990 7.307 307 H GLY 43 H GLY 43 16.127 -5.264 2.787 308 HA2 GLY 43 HA2 GLY 43 18.473 -3.896 4.056 309 HA3 GLY 43 HA3 GLY 43 18.673 -5.494 3.344 310 H ILE 44 H ILE 44 17.062 -2.460 2.388 311 HA ILE 44 HA ILE 44 17.756 -2.527 -0.417 312 HB ILE 44 HB ILE 44 16.978 -0.121 1.295 313 HG12 ILE 44 HG12 ILE 44 14.745 -0.538 -0.093 314 HG13 ILE 44 HG13 ILE 44 15.307 -2.203 -0.162 315 HG21 ILE 44 HG21 ILE 44 18.046 0.514 -0.843 316 HG22 ILE 44 HG22 ILE 44 16.945 -0.561 -1.730 317 HG23 ILE 44 HG23 ILE 44 16.328 0.874 -0.886 318 HD11 ILE 44 HD11 ILE 44 15.199 -2.330 2.311 319 HD12 ILE 44 HD12 ILE 44 14.851 -0.584 2.396 320 HD13 ILE 44 HD13 ILE 44 13.677 -1.698 1.672 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -9.720 9.435 -4.288 2 H2 LYS 1 H2 LYS 1 -10.088 9.742 -5.855 3 H3 LYS 1 H3 LYS 1 -10.844 10.560 -4.663 4 HA LYS 1 HA LYS 1 -12.337 8.903 -5.550 5 HB2 LYS 1 HB2 LYS 1 -10.082 6.986 -4.802 6 HB3 LYS 1 HB3 LYS 1 -11.752 6.471 -5.058 7 HG2 LYS 1 HG2 LYS 1 -11.710 7.405 -7.359 8 HG3 LYS 1 HG3 LYS 1 -10.000 7.836 -7.143 9 HD2 LYS 1 HD2 LYS 1 -9.407 5.465 -6.831 10 HD3 LYS 1 HD3 LYS 1 -11.114 5.010 -6.856 11 HE2 LYS 1 HE2 LYS 1 -10.246 4.451 -8.991 12 HE3 LYS 1 HE3 LYS 1 -11.301 5.846 -9.201 13 HZ1 LYS 1 HZ1 LYS 1 -9.304 7.254 -9.292 14 HZ2 LYS 1 HZ2 LYS 1 -9.213 6.090 -10.427 15 HZ3 LYS 1 HZ3 LYS 1 -8.328 5.960 -9.065 16 H LYS 2 H LYS 2 -13.969 8.218 -4.246 17 HA LYS 2 HA LYS 2 -13.654 8.595 -1.283 18 HB2 LYS 2 HB2 LYS 2 -16.100 8.804 -3.082 19 HB3 LYS 2 HB3 LYS 2 -16.084 9.048 -1.331 20 HG2 LYS 2 HG2 LYS 2 -14.571 10.981 -1.582 21 HG3 LYS 2 HG3 LYS 2 -14.556 10.756 -3.343 22 HD2 LYS 2 HD2 LYS 2 -17.019 11.086 -3.409 23 HD3 LYS 2 HD3 LYS 2 -17.022 11.360 -1.653 24 HE2 LYS 2 HE2 LYS 2 -15.519 13.306 -1.945 25 HE3 LYS 2 HE3 LYS 2 -15.463 13.017 -3.689 26 HZ1 LYS 2 HZ1 LYS 2 -17.918 13.708 -2.162 27 HZ2 LYS 2 HZ2 LYS 2 -17.862 13.441 -3.773 28 HZ3 LYS 2 HZ3 LYS 2 -17.094 14.728 -3.132 29 H VAL 3 H VAL 3 -12.688 6.287 -1.693 30 HA VAL 3 HA VAL 3 -14.503 4.084 -2.143 31 HB VAL 3 HB VAL 3 -11.846 3.923 -0.692 32 HG11 VAL 3 HG11 VAL 3 -13.132 1.874 -0.475 33 HG12 VAL 3 HG12 VAL 3 -13.523 1.878 -2.217 34 HG13 VAL 3 HG13 VAL 3 -11.867 1.602 -1.662 35 HG21 VAL 3 HG21 VAL 3 -12.424 3.753 -3.686 36 HG22 VAL 3 HG22 VAL 3 -11.439 4.993 -2.870 37 HG23 VAL 3 HG23 VAL 3 -10.881 3.323 -2.914 38 H CYS 4 H CYS 4 -15.881 3.173 -0.856 39 HA CYS 4 HA CYS 4 -15.923 3.724 2.086 40 HB2 CYS 4 HB2 CYS 4 -18.072 2.639 0.238 41 HB3 CYS 4 HB3 CYS 4 -18.258 2.962 1.959 42 H ALA 5 H ALA 5 -15.423 1.079 -0.151 43 HA ALA 5 HA ALA 5 -14.811 -0.760 2.078 44 HB1 ALA 5 HB1 ALA 5 -17.177 -1.197 1.616 45 HB2 ALA 5 HB2 ALA 5 -16.830 -1.409 -0.114 46 HB3 ALA 5 HB3 ALA 5 -16.178 -2.559 1.076 47 H CYS 6 H CYS 6 -12.608 -0.708 1.539 48 HA CYS 6 HA CYS 6 -11.522 -1.170 -1.040 49 HB2 CYS 6 HB2 CYS 6 -10.598 -1.284 1.852 50 HB3 CYS 6 HB3 CYS 6 -9.555 -1.873 0.597 51 HA PRO 7 HA PRO 7 -12.007 -5.541 -1.442 52 HB2 PRO 7 HB2 PRO 7 -9.826 -6.316 -2.912 53 HB3 PRO 7 HB3 PRO 7 -11.140 -5.298 -3.562 54 HG2 PRO 7 HG2 PRO 7 -8.433 -4.423 -2.544 55 HG3 PRO 7 HG3 PRO 7 -9.314 -3.856 -3.994 56 HD2 PRO 7 HD2 PRO 7 -9.269 -2.560 -1.540 57 HD3 PRO 7 HD3 PRO 7 -10.599 -2.359 -2.704 58 H LYS 8 H LYS 8 -11.597 -7.377 -0.325 59 HA LYS 8 HA LYS 8 -9.634 -7.435 1.817 60 HB2 LYS 8 HB2 LYS 8 -10.768 -9.510 2.419 61 HB3 LYS 8 HB3 LYS 8 -11.917 -8.212 2.156 62 HG2 LYS 8 HG2 LYS 8 -12.540 -9.128 -0.030 63 HG3 LYS 8 HG3 LYS 8 -11.273 -10.367 0.089 64 HD2 LYS 8 HD2 LYS 8 -12.401 -11.394 2.013 65 HD3 LYS 8 HD3 LYS 8 -13.579 -10.079 2.063 66 HE2 LYS 8 HE2 LYS 8 -14.625 -11.993 1.055 67 HE3 LYS 8 HE3 LYS 8 -14.447 -10.726 -0.159 68 HZ1 LYS 8 HZ1 LYS 8 -12.642 -13.077 0.117 69 HZ2 LYS 8 HZ2 LYS 8 -12.528 -11.931 -1.048 70 HZ3 LYS 8 HZ3 LYS 8 -13.815 -12.928 -1.005 71 H ILE 9 H ILE 9 -8.946 -7.821 -1.210 72 HA ILE 9 HA ILE 9 -7.801 -10.386 -1.568 73 HB ILE 9 HB ILE 9 -8.373 -8.960 -3.374 74 HG12 ILE 9 HG12 ILE 9 -5.411 -9.469 -3.463 75 HG13 ILE 9 HG13 ILE 9 -6.664 -10.707 -3.661 76 HG21 ILE 9 HG21 ILE 9 -7.204 -6.930 -4.025 77 HG22 ILE 9 HG22 ILE 9 -7.583 -6.731 -2.314 78 HG23 ILE 9 HG23 ILE 9 -5.948 -7.186 -2.798 79 HD11 ILE 9 HD11 ILE 9 -6.150 -8.355 -5.527 80 HD12 ILE 9 HD12 ILE 9 -5.840 -10.069 -5.841 81 HD13 ILE 9 HD13 ILE 9 -7.511 -9.497 -5.674 82 H LEU 10 H LEU 10 -5.859 -11.117 -1.503 83 HA LEU 10 HA LEU 10 -3.989 -9.967 0.536 84 HB2 LEU 10 HB2 LEU 10 -5.036 -12.376 0.575 85 HB3 LEU 10 HB3 LEU 10 -3.724 -12.791 -0.516 86 HG LEU 10 HG LEU 10 -3.464 -11.540 2.267 87 HD11 LEU 10 HD11 LEU 10 -4.271 -13.870 2.308 88 HD12 LEU 10 HD12 LEU 10 -2.634 -13.739 2.965 89 HD13 LEU 10 HD13 LEU 10 -2.880 -14.375 1.322 90 HD21 LEU 10 HD21 LEU 10 -1.513 -10.915 0.943 91 HD22 LEU 10 HD22 LEU 10 -1.289 -12.597 0.411 92 HD23 LEU 10 HD23 LEU 10 -1.056 -12.145 2.116 93 H LYS 11 H LYS 11 -3.494 -8.347 -1.103 94 HA LYS 11 HA LYS 11 -1.109 -9.111 -2.738 95 HB2 LYS 11 HB2 LYS 11 -3.102 -9.016 -4.245 96 HB3 LYS 11 HB3 LYS 11 -3.365 -7.342 -3.749 97 HG2 LYS 11 HG2 LYS 11 -0.944 -6.899 -4.595 98 HG3 LYS 11 HG3 LYS 11 -1.010 -8.507 -5.307 99 HD2 LYS 11 HD2 LYS 11 -2.840 -7.888 -6.747 100 HD3 LYS 11 HD3 LYS 11 -3.121 -6.371 -5.883 101 HE2 LYS 11 HE2 LYS 11 -0.542 -7.008 -7.382 102 HE3 LYS 11 HE3 LYS 11 -1.915 -6.170 -8.111 103 HZ1 LYS 11 HZ1 LYS 11 -1.690 -4.423 -6.447 104 HZ2 LYS 11 HZ2 LYS 11 -0.285 -4.593 -7.260 105 HZ3 LYS 11 HZ3 LYS 11 -0.423 -5.182 -5.740 106 HA PRO 12 HA PRO 12 -0.417 -5.468 0.036 107 HB2 PRO 12 HB2 PRO 12 1.928 -6.289 1.216 108 HB3 PRO 12 HB3 PRO 12 0.300 -6.746 1.798 109 HG2 PRO 12 HG2 PRO 12 2.171 -8.358 0.070 110 HG3 PRO 12 HG3 PRO 12 1.195 -8.879 1.492 111 HD2 PRO 12 HD2 PRO 12 0.389 -9.298 -1.100 112 HD3 PRO 12 HD3 PRO 12 -0.769 -8.982 0.226 113 H VAL 13 H VAL 13 1.404 -4.005 0.119 114 HA VAL 13 HA VAL 13 3.187 -3.923 -2.262 115 HB VAL 13 HB VAL 13 2.481 -1.625 -2.770 116 HG11 VAL 13 HG11 VAL 13 1.452 -3.569 -3.975 117 HG12 VAL 13 HG12 VAL 13 0.062 -3.465 -2.874 118 HG13 VAL 13 HG13 VAL 13 0.451 -2.110 -3.954 119 HG21 VAL 13 HG21 VAL 13 1.541 -0.876 -0.638 120 HG22 VAL 13 HG22 VAL 13 0.335 -0.729 -1.916 121 HG23 VAL 13 HG23 VAL 13 0.224 -2.065 -0.764 122 H CYS 14 H CYS 14 4.882 -2.385 -2.086 123 HA CYS 14 HA CYS 14 5.524 -1.450 0.683 124 HB2 CYS 14 HB2 CYS 14 7.320 -2.612 -0.749 125 HB3 CYS 14 HB3 CYS 14 7.241 -1.210 -1.815 126 H GLY 15 H GLY 15 4.634 0.526 1.148 127 HA2 GLY 15 HA2 GLY 15 3.748 2.373 -0.975 128 HA3 GLY 15 HA3 GLY 15 3.600 2.611 0.754 129 H SER 16 H SER 16 4.387 4.601 -1.085 130 HA SER 16 HA SER 16 7.182 5.031 -1.329 131 HB2 SER 16 HB2 SER 16 5.226 6.196 -2.501 132 HB3 SER 16 HB3 SER 16 5.115 7.230 -1.067 133 HG SER 16 HG SER 16 6.468 8.301 -2.391 134 H ASP 17 H ASP 17 5.161 5.514 1.459 135 HA ASP 17 HA ASP 17 6.907 7.196 3.027 136 HB2 ASP 17 HB2 ASP 17 4.435 6.769 3.362 137 HB3 ASP 17 HB3 ASP 17 4.839 5.164 3.958 138 H GLY 18 H GLY 18 7.297 3.924 2.061 139 HA2 GLY 18 HA2 GLY 18 9.100 2.504 2.554 140 HA3 GLY 18 HA3 GLY 18 9.484 3.435 3.998 141 H ARG 19 H ARG 19 6.182 2.654 3.789 142 HA ARG 19 HA ARG 19 6.422 0.453 5.808 143 HB2 ARG 19 HB2 ARG 19 5.261 2.700 6.325 144 HB3 ARG 19 HB3 ARG 19 3.970 2.159 5.246 145 HG2 ARG 19 HG2 ARG 19 3.493 0.258 6.727 146 HG3 ARG 19 HG3 ARG 19 4.907 0.656 7.731 147 HD2 ARG 19 HD2 ARG 19 3.863 2.832 8.306 148 HD3 ARG 19 HD3 ARG 19 2.460 2.417 7.301 149 HE ARG 19 HE ARG 19 2.905 0.345 9.235 150 HH11 ARG 19 HH11 ARG 19 1.689 3.618 9.155 151 HH12 ARG 19 HH12 ARG 19 0.675 3.377 10.552 152 HH21 ARG 19 HH21 ARG 19 1.622 0.099 11.023 153 HH22 ARG 19 HH22 ARG 19 0.653 1.429 11.582 154 H THR 20 H THR 20 4.724 -1.137 5.766 155 HA THR 20 HA THR 20 3.816 -1.995 3.028 156 HB THR 20 HB THR 20 4.778 -3.678 5.369 157 HG1 THR 20 HG1 THR 20 6.388 -2.954 4.001 158 HG21 THR 20 HG21 THR 20 3.547 -4.654 2.758 159 HG22 THR 20 HG22 THR 20 2.802 -4.806 4.369 160 HG23 THR 20 HG23 THR 20 4.305 -5.648 4.036 161 H TYR 21 H TYR 21 1.665 -2.116 2.770 162 HA TYR 21 HA TYR 21 -0.106 -2.484 5.114 163 HB2 TYR 21 HB2 TYR 21 -0.768 -1.082 2.512 164 HB3 TYR 21 HB3 TYR 21 -1.646 -1.127 4.034 165 HD1 TYR 21 HD1 TYR 21 1.226 0.405 2.272 166 HD2 TYR 21 HD2 TYR 21 -1.192 0.398 5.849 167 HE1 TYR 21 HE1 TYR 21 2.166 2.625 2.923 168 HE2 TYR 21 HE2 TYR 21 -0.256 2.612 6.485 169 HH TYR 21 HH TYR 21 1.110 4.352 5.869 170 H ALA 22 H ALA 22 -2.313 -3.412 4.287 171 HA ALA 22 HA ALA 22 -1.663 -6.061 3.364 172 HB1 ALA 22 HB1 ALA 22 -4.083 -6.450 3.707 173 HB2 ALA 22 HB2 ALA 22 -3.399 -5.536 5.066 174 HB3 ALA 22 HB3 ALA 22 -4.369 -4.704 3.823 175 H ASN 23 H ASN 23 -2.922 -3.246 1.639 176 HA ASN 23 HA ASN 23 -2.583 -4.493 -0.904 177 HB2 ASN 23 HB2 ASN 23 -5.077 -3.803 -1.516 178 HB3 ASN 23 HB3 ASN 23 -4.650 -5.427 -1.001 179 HD21 ASN 23 HD21 ASN 23 -6.824 -2.877 -0.404 180 HD22 ASN 23 HD22 ASN 23 -7.402 -3.564 1.114 181 H SER 24 H SER 24 -3.359 -2.928 -2.702 182 HA SER 24 HA SER 24 -2.064 -0.500 -2.209 183 HB2 SER 24 HB2 SER 24 -2.907 0.150 -4.507 184 HB3 SER 24 HB3 SER 24 -2.110 -1.434 -4.439 185 HG SER 24 HG SER 24 -4.123 -1.496 -5.586 186 H CYS 25 H CYS 25 -5.483 -1.165 -2.420 187 HA CYS 25 HA CYS 25 -6.670 1.336 -2.220 188 HB2 CYS 25 HB2 CYS 25 -7.632 -1.007 -2.439 189 HB3 CYS 25 HB3 CYS 25 -7.650 -1.086 -0.694 190 H ILE 26 H ILE 26 -5.675 -0.681 0.385 191 HA ILE 26 HA ILE 26 -6.463 1.162 2.516 192 HB ILE 26 HB ILE 26 -5.984 -1.514 2.576 193 HG12 ILE 26 HG12 ILE 26 -5.808 -1.355 5.104 194 HG13 ILE 26 HG13 ILE 26 -5.620 0.384 4.942 195 HG21 ILE 26 HG21 ILE 26 -3.576 -0.466 3.957 196 HG22 ILE 26 HG22 ILE 26 -4.113 -2.159 3.811 197 HG23 ILE 26 HG23 ILE 26 -3.556 -1.298 2.375 198 HD11 ILE 26 HD11 ILE 26 -8.069 -1.237 4.056 199 HD12 ILE 26 HD12 ILE 26 -7.947 -0.290 5.552 200 HD13 ILE 26 HD13 ILE 26 -7.932 0.536 3.986 201 H ALA 27 H ALA 27 -3.393 0.442 1.018 202 HA ALA 27 HA ALA 27 -1.745 2.304 2.419 203 HB1 ALA 27 HB1 ALA 27 -0.910 0.614 0.789 204 HB2 ALA 27 HB2 ALA 27 -1.542 1.601 -0.541 205 HB3 ALA 27 HB3 ALA 27 -0.264 2.241 0.504 206 H ARG 28 H ARG 28 -3.556 2.937 -0.643 207 HA ARG 28 HA ARG 28 -3.045 5.755 -0.685 208 HB2 ARG 28 HB2 ARG 28 -4.798 5.956 -2.327 209 HB3 ARG 28 HB3 ARG 28 -3.761 4.568 -2.674 210 HG2 ARG 28 HG2 ARG 28 -5.456 3.036 -1.839 211 HG3 ARG 28 HG3 ARG 28 -6.468 4.359 -1.278 212 HD2 ARG 28 HD2 ARG 28 -7.415 3.520 -3.287 213 HD3 ARG 28 HD3 ARG 28 -6.768 5.135 -3.617 214 HE ARG 28 HE ARG 28 -4.692 3.477 -4.356 215 HH11 ARG 28 HH11 ARG 28 -8.047 3.514 -5.322 216 HH12 ARG 28 HH12 ARG 28 -7.697 2.878 -6.907 217 HH21 ARG 28 HH21 ARG 28 -4.296 2.724 -6.405 218 HH22 ARG 28 HH22 ARG 28 -5.620 2.470 -7.500 219 H CYS 29 H CYS 29 -5.564 4.036 1.031 220 HA CYS 29 HA CYS 29 -7.114 6.292 1.799 221 HB2 CYS 29 HB2 CYS 29 -6.670 3.573 3.027 222 HB3 CYS 29 HB3 CYS 29 -7.674 4.770 3.823 223 H ASN 30 H ASN 30 -3.896 5.423 3.002 224 HA ASN 30 HA ASN 30 -4.038 7.377 5.212 225 HB2 ASN 30 HB2 ASN 30 -2.024 5.374 4.140 226 HB3 ASN 30 HB3 ASN 30 -1.476 6.723 5.098 227 HD21 ASN 30 HD21 ASN 30 -2.874 3.583 5.285 228 HD22 ASN 30 HD22 ASN 30 -3.171 3.657 7.020 229 H GLY 31 H GLY 31 -3.751 7.643 1.873 230 HA2 GLY 31 HA2 GLY 31 -3.601 9.681 0.746 231 HA3 GLY 31 HA3 GLY 31 -2.629 10.374 2.036 232 H VAL 32 H VAL 32 -1.023 7.552 1.629 233 HA VAL 32 HA VAL 32 0.899 8.650 -0.315 234 HB VAL 32 HB VAL 32 2.344 6.885 0.700 235 HG11 VAL 32 HG11 VAL 32 1.218 8.978 2.602 236 HG12 VAL 32 HG12 VAL 32 2.794 8.187 2.751 237 HG13 VAL 32 HG13 VAL 32 2.474 9.245 1.371 238 HG21 VAL 32 HG21 VAL 32 1.838 5.903 2.848 239 HG22 VAL 32 HG22 VAL 32 0.231 6.642 2.873 240 HG23 VAL 32 HG23 VAL 32 0.620 5.381 1.681 241 H SER 33 H SER 33 1.621 7.506 -2.087 242 HA SER 33 HA SER 33 -0.153 5.309 -3.025 243 HB2 SER 33 HB2 SER 33 0.294 7.265 -4.461 244 HB3 SER 33 HB3 SER 33 1.996 6.773 -4.584 245 HG SER 33 HG SER 33 0.670 6.022 -6.329 246 H ILE 34 H ILE 34 0.924 3.651 -4.384 247 HA ILE 34 HA ILE 34 2.753 2.053 -2.828 248 HB ILE 34 HB ILE 34 2.109 0.366 -4.106 249 HG12 ILE 34 HG12 ILE 34 0.749 0.662 -6.352 250 HG13 ILE 34 HG13 ILE 34 1.655 2.160 -6.473 251 HG21 ILE 34 HG21 ILE 34 -0.377 2.031 -4.454 252 HG22 ILE 34 HG22 ILE 34 -0.245 0.280 -4.229 253 HG23 ILE 34 HG23 ILE 34 0.181 1.372 -2.899 254 HD11 ILE 34 HD11 ILE 34 2.835 -0.655 -6.132 255 HD12 ILE 34 HD12 ILE 34 2.716 0.230 -7.665 256 HD13 ILE 34 HD13 ILE 34 3.784 0.821 -6.387 257 H LYS 35 H LYS 35 4.850 1.816 -3.100 258 HA LYS 35 HA LYS 35 6.282 3.246 -5.282 259 HB2 LYS 35 HB2 LYS 35 6.836 3.204 -2.667 260 HB3 LYS 35 HB3 LYS 35 7.635 1.693 -3.056 261 HG2 LYS 35 HG2 LYS 35 9.210 3.534 -3.060 262 HG3 LYS 35 HG3 LYS 35 9.075 2.914 -4.711 263 HD2 LYS 35 HD2 LYS 35 7.850 4.813 -5.449 264 HD3 LYS 35 HD3 LYS 35 7.339 5.233 -3.807 265 HE2 LYS 35 HE2 LYS 35 9.738 5.777 -3.261 266 HE3 LYS 35 HE3 LYS 35 10.138 5.529 -4.970 267 HZ1 LYS 35 HZ1 LYS 35 9.678 7.873 -4.478 268 HZ2 LYS 35 HZ2 LYS 35 8.188 7.508 -3.909 269 HZ3 LYS 35 HZ3 LYS 35 8.537 7.310 -5.502 270 H SER 36 H SER 36 5.713 -0.007 -4.075 271 HA SER 36 HA SER 36 6.059 -1.103 -6.743 272 HB2 SER 36 HB2 SER 36 7.675 -2.924 -5.995 273 HB3 SER 36 HB3 SER 36 8.352 -1.332 -6.285 274 HG SER 36 HG SER 36 8.508 -0.983 -4.096 275 H GLU 37 H GLU 37 5.476 -3.381 -6.911 276 HA GLU 37 HA GLU 37 3.277 -4.151 -5.183 277 HB2 GLU 37 HB2 GLU 37 3.263 -6.146 -6.702 278 HB3 GLU 37 HB3 GLU 37 2.938 -4.597 -7.454 279 HG2 GLU 37 HG2 GLU 37 5.133 -4.550 -8.485 280 HG3 GLU 37 HG3 GLU 37 5.685 -5.916 -7.516 281 H GLY 38 H GLY 38 3.145 -5.894 -3.868 282 HA2 GLY 38 HA2 GLY 38 3.804 -7.647 -2.507 283 HA3 GLY 38 HA3 GLY 38 5.433 -7.615 -3.193 284 H SER 39 H SER 39 4.671 -7.707 -0.406 285 HA SER 39 HA SER 39 5.265 -5.253 0.983 286 HB2 SER 39 HB2 SER 39 6.012 -6.873 2.805 287 HB3 SER 39 HB3 SER 39 4.343 -6.987 2.243 288 HG SER 39 HG SER 39 6.497 -8.680 1.430 289 H CYS 40 H CYS 40 7.179 -4.426 1.745 290 HA CYS 40 HA CYS 40 9.542 -5.210 0.141 291 HB2 CYS 40 HB2 CYS 40 10.507 -3.020 1.150 292 HB3 CYS 40 HB3 CYS 40 9.367 -3.041 -0.167 293 HA PRO 41 HA PRO 41 11.919 -6.914 3.463 294 HB2 PRO 41 HB2 PRO 41 14.480 -6.382 2.653 295 HB3 PRO 41 HB3 PRO 41 13.415 -7.543 1.808 296 HG2 PRO 41 HG2 PRO 41 13.944 -4.643 1.083 297 HG3 PRO 41 HG3 PRO 41 13.989 -6.079 0.011 298 HD2 PRO 41 HD2 PRO 41 11.772 -4.468 0.171 299 HD3 PRO 41 HD3 PRO 41 11.629 -6.226 -0.039 300 H THR 42 H THR 42 12.759 -6.303 5.418 301 HA THR 42 HA THR 42 12.816 -3.458 6.113 302 HB THR 42 HB THR 42 11.827 -5.293 7.514 303 HG1 THR 42 HG1 THR 42 12.200 -3.288 8.403 304 HG21 THR 42 HG21 THR 42 13.689 -6.941 7.410 305 HG22 THR 42 HG22 THR 42 13.219 -6.525 9.065 306 HG23 THR 42 HG23 THR 42 14.697 -5.834 8.376 307 H GLY 43 H GLY 43 15.092 -5.581 5.052 308 HA2 GLY 43 HA2 GLY 43 17.223 -4.156 4.426 309 HA3 GLY 43 HA3 GLY 43 17.498 -4.174 6.166 310 H ILE 44 H ILE 44 16.323 -7.069 6.053 311 HA ILE 44 HA ILE 44 18.583 -8.574 4.830 312 HB ILE 44 HB ILE 44 17.480 -9.155 7.608 313 HG12 ILE 44 HG12 ILE 44 20.176 -7.940 6.826 314 HG13 ILE 44 HG13 ILE 44 18.867 -7.101 7.662 315 HG21 ILE 44 HG21 ILE 44 18.243 -11.142 6.276 316 HG22 ILE 44 HG22 ILE 44 19.822 -10.363 6.048 317 HG23 ILE 44 HG23 ILE 44 19.274 -10.859 7.663 318 HD11 ILE 44 HD11 ILE 44 20.545 -9.360 8.789 319 HD12 ILE 44 HD12 ILE 44 20.486 -7.669 9.301 320 HD13 ILE 44 HD13 ILE 44 19.076 -8.715 9.569 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -24.002 5.272 -7.987 2 H2 LYS 1 H2 LYS 1 -23.168 6.410 -7.165 3 H3 LYS 1 H3 LYS 1 -22.651 5.927 -8.640 4 HA LYS 1 HA LYS 1 -22.727 4.256 -6.213 5 HB2 LYS 1 HB2 LYS 1 -23.168 3.064 -8.444 6 HB3 LYS 1 HB3 LYS 1 -21.544 3.532 -8.928 7 HG2 LYS 1 HG2 LYS 1 -21.374 1.312 -8.165 8 HG3 LYS 1 HG3 LYS 1 -20.681 2.271 -6.859 9 HD2 LYS 1 HD2 LYS 1 -22.834 2.070 -5.592 10 HD3 LYS 1 HD3 LYS 1 -23.530 1.160 -6.949 11 HE2 LYS 1 HE2 LYS 1 -21.714 -0.553 -6.675 12 HE3 LYS 1 HE3 LYS 1 -21.127 0.326 -5.262 13 HZ1 LYS 1 HZ1 LYS 1 -22.611 -1.484 -4.619 14 HZ2 LYS 1 HZ2 LYS 1 -23.832 -0.888 -5.522 15 HZ3 LYS 1 HZ3 LYS 1 -23.307 -0.064 -4.211 16 H LYS 2 H LYS 2 -20.967 4.409 -4.919 17 HA LYS 2 HA LYS 2 -18.362 5.410 -5.941 18 HB2 LYS 2 HB2 LYS 2 -19.693 7.366 -5.132 19 HB3 LYS 2 HB3 LYS 2 -19.794 6.624 -3.532 20 HG2 LYS 2 HG2 LYS 2 -17.348 6.721 -3.295 21 HG3 LYS 2 HG3 LYS 2 -17.174 7.342 -4.942 22 HD2 LYS 2 HD2 LYS 2 -18.686 8.775 -2.709 23 HD3 LYS 2 HD3 LYS 2 -16.994 9.074 -3.124 24 HE2 LYS 2 HE2 LYS 2 -17.648 9.725 -5.425 25 HE3 LYS 2 HE3 LYS 2 -19.348 9.441 -5.032 26 HZ1 LYS 2 HZ1 LYS 2 -19.193 11.200 -3.354 27 HZ2 LYS 2 HZ2 LYS 2 -18.777 11.787 -4.817 28 HZ3 LYS 2 HZ3 LYS 2 -17.621 11.467 -3.713 29 H VAL 3 H VAL 3 -16.683 4.300 -5.093 30 HA VAL 3 HA VAL 3 -17.114 2.014 -3.418 31 HB VAL 3 HB VAL 3 -14.620 1.861 -3.483 32 HG11 VAL 3 HG11 VAL 3 -15.999 2.155 -6.178 33 HG12 VAL 3 HG12 VAL 3 -14.520 1.229 -5.843 34 HG13 VAL 3 HG13 VAL 3 -16.057 0.725 -5.122 35 HG21 VAL 3 HG21 VAL 3 -13.317 3.220 -5.011 36 HG22 VAL 3 HG22 VAL 3 -14.726 4.218 -5.413 37 HG23 VAL 3 HG23 VAL 3 -14.029 4.264 -3.774 38 H CYS 4 H CYS 4 -16.520 1.571 -1.383 39 HA CYS 4 HA CYS 4 -15.388 3.667 0.400 40 HB2 CYS 4 HB2 CYS 4 -17.985 2.171 0.930 41 HB3 CYS 4 HB3 CYS 4 -17.100 3.113 2.124 42 H ALA 5 H ALA 5 -16.731 0.329 0.619 43 HA ALA 5 HA ALA 5 -14.698 -0.643 2.409 44 HB1 ALA 5 HB1 ALA 5 -15.759 -2.827 1.946 45 HB2 ALA 5 HB2 ALA 5 -16.964 -1.580 2.315 46 HB3 ALA 5 HB3 ALA 5 -16.706 -2.099 0.635 47 H CYS 6 H CYS 6 -12.563 -0.859 1.828 48 HA CYS 6 HA CYS 6 -11.568 -1.336 -0.776 49 HB2 CYS 6 HB2 CYS 6 -10.555 -1.470 2.080 50 HB3 CYS 6 HB3 CYS 6 -9.558 -2.062 0.789 51 HA PRO 7 HA PRO 7 -12.170 -5.621 -1.320 52 HB2 PRO 7 HB2 PRO 7 -10.015 -6.445 -2.804 53 HB3 PRO 7 HB3 PRO 7 -11.258 -5.320 -3.417 54 HG2 PRO 7 HG2 PRO 7 -8.534 -4.644 -2.290 55 HG3 PRO 7 HG3 PRO 7 -9.328 -3.987 -3.751 56 HD2 PRO 7 HD2 PRO 7 -9.307 -2.746 -1.294 57 HD3 PRO 7 HD3 PRO 7 -10.639 -2.511 -2.451 58 H LYS 8 H LYS 8 -11.875 -7.571 -0.357 59 HA LYS 8 HA LYS 8 -10.028 -7.913 1.842 60 HB2 LYS 8 HB2 LYS 8 -11.215 -10.077 2.081 61 HB3 LYS 8 HB3 LYS 8 -12.299 -8.696 2.017 62 HG2 LYS 8 HG2 LYS 8 -12.936 -9.200 -0.272 63 HG3 LYS 8 HG3 LYS 8 -11.707 -10.471 -0.394 64 HD2 LYS 8 HD2 LYS 8 -12.879 -11.866 1.195 65 HD3 LYS 8 HD3 LYS 8 -13.935 -10.544 1.679 66 HE2 LYS 8 HE2 LYS 8 -15.175 -12.069 0.283 67 HE3 LYS 8 HE3 LYS 8 -15.013 -10.517 -0.524 68 HZ1 LYS 8 HZ1 LYS 8 -14.588 -12.387 -2.037 69 HZ2 LYS 8 HZ2 LYS 8 -13.345 -12.912 -1.116 70 HZ3 LYS 8 HZ3 LYS 8 -13.241 -11.477 -1.903 71 H ILE 9 H ILE 9 -9.153 -8.006 -1.171 72 HA ILE 9 HA ILE 9 -7.971 -10.555 -1.637 73 HB ILE 9 HB ILE 9 -8.541 -8.984 -3.364 74 HG12 ILE 9 HG12 ILE 9 -5.588 -9.525 -3.496 75 HG13 ILE 9 HG13 ILE 9 -6.841 -10.759 -3.723 76 HG21 ILE 9 HG21 ILE 9 -6.081 -7.318 -2.638 77 HG22 ILE 9 HG22 ILE 9 -7.308 -6.951 -3.866 78 HG23 ILE 9 HG23 ILE 9 -7.716 -6.858 -2.151 79 HD11 ILE 9 HD11 ILE 9 -6.077 -10.026 -5.892 80 HD12 ILE 9 HD12 ILE 9 -7.741 -9.460 -5.658 81 HD13 ILE 9 HD13 ILE 9 -6.377 -8.327 -5.494 82 H LEU 10 H LEU 10 -5.934 -11.148 -1.689 83 HA LEU 10 HA LEU 10 -4.144 -10.110 0.488 84 HB2 LEU 10 HB2 LEU 10 -5.210 -12.509 0.455 85 HB3 LEU 10 HB3 LEU 10 -3.923 -12.897 -0.674 86 HG LEU 10 HG LEU 10 -3.674 -11.901 2.199 87 HD11 LEU 10 HD11 LEU 10 -2.676 -14.105 2.602 88 HD12 LEU 10 HD12 LEU 10 -2.844 -14.521 0.885 89 HD13 LEU 10 HD13 LEU 10 -4.286 -14.285 1.893 90 HD21 LEU 10 HD21 LEU 10 -1.223 -12.296 1.993 91 HD22 LEU 10 HD22 LEU 10 -1.781 -10.940 1.016 92 HD23 LEU 10 HD23 LEU 10 -1.422 -12.503 0.237 93 H LYS 11 H LYS 11 -3.480 -8.449 -1.017 94 HA LYS 11 HA LYS 11 -1.089 -9.258 -2.584 95 HB2 LYS 11 HB2 LYS 11 -2.989 -9.225 -4.182 96 HB3 LYS 11 HB3 LYS 11 -3.270 -7.525 -3.818 97 HG2 LYS 11 HG2 LYS 11 -1.085 -6.905 -4.687 98 HG3 LYS 11 HG3 LYS 11 -0.584 -8.584 -4.841 99 HD2 LYS 11 HD2 LYS 11 -3.042 -7.690 -6.368 100 HD3 LYS 11 HD3 LYS 11 -1.474 -7.095 -6.889 101 HE2 LYS 11 HE2 LYS 11 -1.924 -9.029 -8.185 102 HE3 LYS 11 HE3 LYS 11 -0.604 -9.402 -7.085 103 HZ1 LYS 11 HZ1 LYS 11 -3.438 -10.213 -6.679 104 HZ2 LYS 11 HZ2 LYS 11 -2.192 -10.607 -5.682 105 HZ3 LYS 11 HZ3 LYS 11 -2.244 -11.195 -7.199 106 HA PRO 12 HA PRO 12 -0.576 -5.613 0.222 107 HB2 PRO 12 HB2 PRO 12 1.817 -6.359 1.379 108 HB3 PRO 12 HB3 PRO 12 0.205 -6.871 1.960 109 HG2 PRO 12 HG2 PRO 12 2.115 -8.396 0.197 110 HG3 PRO 12 HG3 PRO 12 1.172 -8.974 1.615 111 HD2 PRO 12 HD2 PRO 12 0.344 -9.401 -0.949 112 HD3 PRO 12 HD3 PRO 12 -0.816 -9.074 0.371 113 H VAL 13 H VAL 13 1.225 -4.069 0.417 114 HA VAL 13 HA VAL 13 2.894 -3.759 -2.037 115 HB VAL 13 HB VAL 13 2.030 -1.520 -2.442 116 HG11 VAL 13 HG11 VAL 13 -0.343 -3.419 -2.339 117 HG12 VAL 13 HG12 VAL 13 -0.093 -2.043 -3.429 118 HG13 VAL 13 HG13 VAL 13 0.928 -3.479 -3.571 119 HG21 VAL 13 HG21 VAL 13 1.301 -0.811 -0.233 120 HG22 VAL 13 HG22 VAL 13 -0.068 -0.733 -1.337 121 HG23 VAL 13 HG23 VAL 13 0.050 -2.072 -0.189 122 H CYS 14 H CYS 14 4.447 -2.053 -1.874 123 HA CYS 14 HA CYS 14 5.150 -1.227 0.921 124 HB2 CYS 14 HB2 CYS 14 6.909 -2.424 -0.563 125 HB3 CYS 14 HB3 CYS 14 6.917 -0.959 -1.531 126 H GLY 15 H GLY 15 4.442 0.794 1.422 127 HA2 GLY 15 HA2 GLY 15 3.580 2.755 -0.615 128 HA3 GLY 15 HA3 GLY 15 3.621 2.996 1.116 129 H SER 16 H SER 16 4.461 4.971 -0.733 130 HA SER 16 HA SER 16 7.277 5.009 -1.136 131 HB2 SER 16 HB2 SER 16 5.485 6.510 -2.177 132 HB3 SER 16 HB3 SER 16 5.655 7.522 -0.728 133 HG SER 16 HG SER 16 7.052 8.212 -2.387 134 H ASP 17 H ASP 17 5.560 5.616 1.803 135 HA ASP 17 HA ASP 17 7.651 6.931 3.315 136 HB2 ASP 17 HB2 ASP 17 5.216 6.851 3.899 137 HB3 ASP 17 HB3 ASP 17 5.378 5.130 4.243 138 H GLY 18 H GLY 18 7.467 3.725 2.083 139 HA2 GLY 18 HA2 GLY 18 9.122 2.083 2.189 140 HA3 GLY 18 HA3 GLY 18 9.804 2.809 3.643 141 H ARG 19 H ARG 19 6.519 2.556 4.097 142 HA ARG 19 HA ARG 19 6.714 0.147 5.814 143 HB2 ARG 19 HB2 ARG 19 5.625 2.482 6.355 144 HB3 ARG 19 HB3 ARG 19 4.245 1.866 5.443 145 HG2 ARG 19 HG2 ARG 19 3.998 -0.002 7.021 146 HG3 ARG 19 HG3 ARG 19 5.474 0.480 7.873 147 HD2 ARG 19 HD2 ARG 19 2.927 2.143 7.650 148 HD3 ARG 19 HD3 ARG 19 3.408 1.165 9.047 149 HE ARG 19 HE ARG 19 5.474 3.067 8.331 150 HH11 ARG 19 HH11 ARG 19 2.423 2.963 10.034 151 HH12 ARG 19 HH12 ARG 19 2.804 4.369 10.988 152 HH21 ARG 19 HH21 ARG 19 5.886 4.860 9.509 153 HH22 ARG 19 HH22 ARG 19 4.753 5.396 10.713 154 H THR 20 H THR 20 5.011 -1.425 5.776 155 HA THR 20 HA THR 20 3.939 -2.077 3.046 156 HB THR 20 HB THR 20 4.665 -3.971 5.317 157 HG1 THR 20 HG1 THR 20 6.166 -4.724 3.765 158 HG21 THR 20 HG21 THR 20 4.185 -5.795 3.733 159 HG22 THR 20 HG22 THR 20 3.618 -4.628 2.523 160 HG23 THR 20 HG23 THR 20 2.731 -4.870 4.044 161 H TYR 21 H TYR 21 1.803 -2.315 2.768 162 HA TYR 21 HA TYR 21 0.030 -2.618 5.131 163 HB2 TYR 21 HB2 TYR 21 -0.690 -1.120 2.618 164 HB3 TYR 21 HB3 TYR 21 -1.484 -1.183 4.183 165 HD1 TYR 21 HD2 TYR 21 -0.816 0.253 6.037 166 HD2 TYR 21 HD1 TYR 21 1.295 0.335 2.281 167 HE1 TYR 21 HE2 TYR 21 0.254 2.414 6.677 168 HE2 TYR 21 HE1 TYR 21 2.362 2.483 2.931 169 HH TYR 21 HH TYR 21 2.500 4.143 4.494 170 H ALA 22 H ALA 22 -2.217 -3.428 4.351 171 HA ALA 22 HA ALA 22 -1.644 -6.086 3.447 172 HB1 ALA 22 HB1 ALA 22 -4.034 -6.458 3.944 173 HB2 ALA 22 HB2 ALA 22 -3.271 -5.499 5.225 174 HB3 ALA 22 HB3 ALA 22 -4.312 -4.707 4.015 175 H ASN 23 H ASN 23 -2.845 -3.327 1.672 176 HA ASN 23 HA ASN 23 -2.476 -4.623 -0.806 177 HB2 ASN 23 HB2 ASN 23 -4.795 -4.175 -1.709 178 HB3 ASN 23 HB3 ASN 23 -4.649 -5.581 -0.651 179 HD21 ASN 23 HD21 ASN 23 -6.403 -5.746 0.706 180 HD22 ASN 23 HD22 ASN 23 -7.288 -4.363 1.323 181 H SER 24 H SER 24 -3.408 -3.054 -2.634 182 HA SER 24 HA SER 24 -2.121 -0.593 -2.216 183 HB2 SER 24 HB2 SER 24 -3.076 0.013 -4.479 184 HB3 SER 24 HB3 SER 24 -2.213 -1.537 -4.437 185 HG SER 24 HG SER 24 -4.241 -1.715 -5.508 186 H CYS 25 H CYS 25 -5.529 -1.395 -2.169 187 HA CYS 25 HA CYS 25 -6.731 1.135 -2.139 188 HB2 CYS 25 HB2 CYS 25 -7.703 -1.202 -2.283 189 HB3 CYS 25 HB3 CYS 25 -7.681 -1.261 -0.547 190 H ILE 26 H ILE 26 -5.683 -0.777 0.512 191 HA ILE 26 HA ILE 26 -6.400 1.164 2.590 192 HB ILE 26 HB ILE 26 -5.963 -1.434 2.904 193 HG12 ILE 26 HG12 ILE 26 -5.459 -1.101 5.337 194 HG13 ILE 26 HG13 ILE 26 -5.056 0.583 5.021 195 HG21 ILE 26 HG21 ILE 26 -3.688 -1.527 2.254 196 HG22 ILE 26 HG22 ILE 26 -3.275 -0.442 3.611 197 HG23 ILE 26 HG23 ILE 26 -3.932 -2.067 3.913 198 HD11 ILE 26 HD11 ILE 26 -7.807 -0.668 4.560 199 HD12 ILE 26 HD12 ILE 26 -7.325 0.223 6.018 200 HD13 ILE 26 HD13 ILE 26 -7.408 1.069 4.468 201 H ALA 27 H ALA 27 -3.368 0.317 1.078 202 HA ALA 27 HA ALA 27 -1.638 2.149 2.353 203 HB1 ALA 27 HB1 ALA 27 -0.186 1.961 0.403 204 HB2 ALA 27 HB2 ALA 27 -0.885 0.384 0.814 205 HB3 ALA 27 HB3 ALA 27 -1.514 1.299 -0.569 206 H ARG 28 H ARG 28 -3.454 2.759 -0.682 207 HA ARG 28 HA ARG 28 -2.824 5.530 -0.922 208 HB2 ARG 28 HB2 ARG 28 -4.609 5.702 -2.499 209 HB3 ARG 28 HB3 ARG 28 -3.709 4.211 -2.777 210 HG2 ARG 28 HG2 ARG 28 -5.469 2.879 -1.792 211 HG3 ARG 28 HG3 ARG 28 -6.347 4.290 -1.241 212 HD2 ARG 28 HD2 ARG 28 -5.827 3.630 -4.164 213 HD3 ARG 28 HD3 ARG 28 -7.308 3.225 -3.305 214 HE ARG 28 HE ARG 28 -6.543 5.825 -4.352 215 HH11 ARG 28 HH11 ARG 28 -8.587 4.370 -1.908 216 HH12 ARG 28 HH12 ARG 28 -9.582 5.792 -1.771 217 HH21 ARG 28 HH21 ARG 28 -7.835 7.602 -4.119 218 HH22 ARG 28 HH22 ARG 28 -9.161 7.570 -2.997 219 H CYS 29 H CYS 29 -5.254 4.058 1.054 220 HA CYS 29 HA CYS 29 -6.939 6.254 1.589 221 HB2 CYS 29 HB2 CYS 29 -7.094 3.774 2.275 222 HB3 CYS 29 HB3 CYS 29 -6.140 4.215 3.682 223 H ASN 30 H ASN 30 -3.730 5.577 2.914 224 HA ASN 30 HA ASN 30 -3.677 7.587 4.971 225 HB2 ASN 30 HB2 ASN 30 -1.438 6.235 3.388 226 HB3 ASN 30 HB3 ASN 30 -1.264 7.119 4.884 227 HD21 ASN 30 HD21 ASN 30 -1.954 4.076 3.519 228 HD22 ASN 30 HD22 ASN 30 -2.306 3.247 5.038 229 H GLY 31 H GLY 31 -3.655 7.973 1.554 230 HA2 GLY 31 HA2 GLY 31 -3.545 9.962 0.351 231 HA3 GLY 31 HA3 GLY 31 -2.743 10.776 1.690 232 H VAL 32 H VAL 32 -1.112 7.907 1.214 233 HA VAL 32 HA VAL 32 0.956 9.124 -0.586 234 HB VAL 32 HB VAL 32 1.481 6.683 1.077 235 HG11 VAL 32 HG11 VAL 32 3.250 8.961 0.109 236 HG12 VAL 32 HG12 VAL 32 3.793 7.568 1.065 237 HG13 VAL 32 HG13 VAL 32 3.176 7.315 -0.564 238 HG21 VAL 32 HG21 VAL 32 1.726 9.545 2.115 239 HG22 VAL 32 HG22 VAL 32 0.690 8.266 2.793 240 HG23 VAL 32 HG23 VAL 32 2.442 8.115 2.891 241 H SER 33 H SER 33 1.864 7.811 -2.242 242 HA SER 33 HA SER 33 0.087 5.788 -3.427 243 HB2 SER 33 HB2 SER 33 2.074 6.016 -5.169 244 HB3 SER 33 HB3 SER 33 0.741 7.160 -5.124 245 HG SER 33 HG SER 33 2.089 8.690 -4.500 246 H ILE 34 H ILE 34 0.970 3.726 -4.244 247 HA ILE 34 HA ILE 34 2.833 2.446 -2.516 248 HB ILE 34 HB ILE 34 2.375 0.573 -3.684 249 HG12 ILE 34 HG12 ILE 34 1.018 2.008 -5.979 250 HG13 ILE 34 HG13 ILE 34 2.630 1.282 -6.034 251 HG21 ILE 34 HG21 ILE 34 -0.005 0.324 -3.454 252 HG22 ILE 34 HG22 ILE 34 0.541 1.510 -2.266 253 HG23 ILE 34 HG23 ILE 34 -0.276 2.042 -3.753 254 HD11 ILE 34 HD11 ILE 34 1.651 -0.945 -5.476 255 HD12 ILE 34 HD12 ILE 34 0.030 -0.227 -5.671 256 HD13 ILE 34 HD13 ILE 34 1.148 -0.275 -7.042 257 H LYS 35 H LYS 35 4.920 2.234 -2.729 258 HA LYS 35 HA LYS 35 6.450 3.486 -4.913 259 HB2 LYS 35 HB2 LYS 35 7.019 3.234 -2.327 260 HB3 LYS 35 HB3 LYS 35 7.607 1.652 -2.778 261 HG2 LYS 35 HG2 LYS 35 9.393 3.316 -2.673 262 HG3 LYS 35 HG3 LYS 35 9.248 2.692 -4.317 263 HD2 LYS 35 HD2 LYS 35 8.385 4.684 -5.163 264 HD3 LYS 35 HD3 LYS 35 7.729 5.218 -3.619 265 HE2 LYS 35 HE2 LYS 35 10.723 5.047 -4.151 266 HE3 LYS 35 HE3 LYS 35 9.761 6.468 -4.564 267 HZ1 LYS 35 HZ1 LYS 35 10.043 5.371 -1.821 268 HZ2 LYS 35 HZ2 LYS 35 9.085 6.639 -2.227 269 HZ3 LYS 35 HZ3 LYS 35 10.710 6.750 -2.380 270 H SER 36 H SER 36 5.593 0.245 -3.835 271 HA SER 36 HA SER 36 5.578 -0.731 -6.559 272 HB2 SER 36 HB2 SER 36 7.051 -2.721 -6.129 273 HB3 SER 36 HB3 SER 36 7.889 -1.183 -6.242 274 HG SER 36 HG SER 36 7.328 -2.725 -3.918 275 H GLU 37 H GLU 37 4.789 -2.950 -6.721 276 HA GLU 37 HA GLU 37 2.810 -3.711 -4.705 277 HB2 GLU 37 HB2 GLU 37 2.319 -5.501 -6.298 278 HB3 GLU 37 HB3 GLU 37 2.097 -3.907 -6.974 279 HG2 GLU 37 HG2 GLU 37 4.617 -5.557 -7.485 280 HG3 GLU 37 HG3 GLU 37 3.149 -5.782 -8.417 281 H GLY 38 H GLY 38 2.783 -5.749 -3.709 282 HA2 GLY 38 HA2 GLY 38 3.652 -7.595 -2.623 283 HA3 GLY 38 HA3 GLY 38 5.223 -7.362 -3.398 284 H SER 39 H SER 39 4.809 -7.834 -0.651 285 HA SER 39 HA SER 39 5.385 -5.446 0.936 286 HB2 SER 39 HB2 SER 39 4.754 -7.592 1.966 287 HB3 SER 39 HB3 SER 39 6.290 -8.310 1.410 288 HG SER 39 HG SER 39 6.475 -7.576 3.552 289 H CYS 40 H CYS 40 7.369 -4.672 1.589 290 HA CYS 40 HA CYS 40 9.487 -4.947 -0.470 291 HB2 CYS 40 HB2 CYS 40 10.403 -2.828 0.757 292 HB3 CYS 40 HB3 CYS 40 9.092 -2.785 -0.394 293 HA PRO 41 HA PRO 41 12.447 -6.948 2.078 294 HB2 PRO 41 HB2 PRO 41 14.830 -5.909 1.177 295 HB3 PRO 41 HB3 PRO 41 13.807 -7.037 0.238 296 HG2 PRO 41 HG2 PRO 41 13.918 -4.009 0.035 297 HG3 PRO 41 HG3 PRO 41 13.960 -5.210 -1.296 298 HD2 PRO 41 HD2 PRO 41 11.640 -3.942 -0.586 299 HD3 PRO 41 HD3 PRO 41 11.641 -5.645 -1.093 300 H THR 42 H THR 42 12.960 -6.677 4.151 301 HA THR 42 HA THR 42 12.950 -4.145 5.466 302 HB THR 42 HB THR 42 14.068 -6.685 6.687 303 HG1 THR 42 HG1 THR 42 11.922 -7.258 7.130 304 HG21 THR 42 HG21 THR 42 14.020 -4.712 8.187 305 HG22 THR 42 HG22 THR 42 12.819 -5.899 8.697 306 HG23 THR 42 HG23 THR 42 12.305 -4.451 7.805 307 H GLY 43 H GLY 43 15.414 -5.691 3.888 308 HA2 GLY 43 HA2 GLY 43 17.293 -3.745 3.745 309 HA3 GLY 43 HA3 GLY 43 17.750 -4.495 5.272 310 H ILE 44 H ILE 44 17.077 -7.201 4.480 311 HA ILE 44 HA ILE 44 18.581 -7.906 2.076 312 HB ILE 44 HB ILE 44 20.347 -7.743 3.747 313 HG12 ILE 44 HG12 ILE 44 19.871 -10.665 3.044 314 HG13 ILE 44 HG13 ILE 44 20.339 -9.437 1.865 315 HG21 ILE 44 HG21 ILE 44 18.937 -9.974 5.283 316 HG22 ILE 44 HG22 ILE 44 20.495 -9.228 5.685 317 HG23 ILE 44 HG23 ILE 44 19.018 -8.276 5.797 318 HD11 ILE 44 HD11 ILE 44 22.405 -8.963 3.163 319 HD12 ILE 44 HD12 ILE 44 21.980 -10.276 4.288 320 HD13 ILE 44 HD13 ILE 44 22.310 -10.637 2.587 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -11.421 11.756 -1.710 2 H2 LYS 1 H2 LYS 1 -10.149 10.749 -1.928 3 H3 LYS 1 H3 LYS 1 -11.620 10.328 -2.488 4 HA LYS 1 HA LYS 1 -11.128 9.083 -0.474 5 HB2 LYS 1 HB2 LYS 1 -10.972 11.834 0.834 6 HB3 LYS 1 HB3 LYS 1 -10.943 10.283 1.676 7 HG2 LYS 1 HG2 LYS 1 -8.817 9.688 0.564 8 HG3 LYS 1 HG3 LYS 1 -8.839 11.227 -0.323 9 HD2 LYS 1 HD2 LYS 1 -8.887 12.438 1.887 10 HD3 LYS 1 HD3 LYS 1 -8.633 10.893 2.704 11 HE2 LYS 1 HE2 LYS 1 -6.781 12.125 0.604 12 HE3 LYS 1 HE3 LYS 1 -6.560 12.278 2.346 13 HZ1 LYS 1 HZ1 LYS 1 -5.219 10.485 1.489 14 HZ2 LYS 1 HZ2 LYS 1 -6.501 9.715 0.842 15 HZ3 LYS 1 HZ3 LYS 1 -6.354 9.842 2.472 16 H LYS 2 H LYS 2 -13.098 8.149 -0.412 17 HA LYS 2 HA LYS 2 -15.365 9.480 0.816 18 HB2 LYS 2 HB2 LYS 2 -16.960 9.190 -0.980 19 HB3 LYS 2 HB3 LYS 2 -15.712 10.304 -1.455 20 HG2 LYS 2 HG2 LYS 2 -15.666 7.379 -2.324 21 HG3 LYS 2 HG3 LYS 2 -16.602 8.612 -3.157 22 HD2 LYS 2 HD2 LYS 2 -14.431 9.952 -3.430 23 HD3 LYS 2 HD3 LYS 2 -13.584 8.510 -2.855 24 HE2 LYS 2 HE2 LYS 2 -13.472 8.457 -5.216 25 HE3 LYS 2 HE3 LYS 2 -14.603 7.195 -4.727 26 HZ1 LYS 2 HZ1 LYS 2 -16.429 8.694 -5.338 27 HZ2 LYS 2 HZ2 LYS 2 -15.423 8.527 -6.610 28 HZ3 LYS 2 HZ3 LYS 2 -15.385 9.893 -5.724 29 H VAL 3 H VAL 3 -17.343 7.937 0.694 30 HA VAL 3 HA VAL 3 -16.757 5.535 2.082 31 HB VAL 3 HB VAL 3 -19.224 5.069 1.631 32 HG11 VAL 3 HG11 VAL 3 -18.422 7.647 3.033 33 HG12 VAL 3 HG12 VAL 3 -19.918 6.726 3.304 34 HG13 VAL 3 HG13 VAL 3 -18.356 6.010 3.720 35 HG21 VAL 3 HG21 VAL 3 -19.285 7.972 0.695 36 HG22 VAL 3 HG22 VAL 3 -19.548 6.571 -0.366 37 HG23 VAL 3 HG23 VAL 3 -20.662 6.891 0.965 38 H CYS 4 H CYS 4 -15.581 4.018 1.168 39 HA CYS 4 HA CYS 4 -16.634 2.588 -1.231 40 HB2 CYS 4 HB2 CYS 4 -13.742 3.350 -0.657 41 HB3 CYS 4 HB3 CYS 4 -14.252 2.233 -1.918 42 H ALA 5 H ALA 5 -16.174 0.374 -1.304 43 HA ALA 5 HA ALA 5 -15.417 -0.944 1.264 44 HB1 ALA 5 HB1 ALA 5 -16.910 -2.003 -1.168 45 HB2 ALA 5 HB2 ALA 5 -16.526 -2.914 0.309 46 HB3 ALA 5 HB3 ALA 5 -17.624 -1.522 0.389 47 H CYS 6 H CYS 6 -13.143 -0.842 1.183 48 HA CYS 6 HA CYS 6 -11.536 -1.435 -1.032 49 HB2 CYS 6 HB2 CYS 6 -11.208 -1.447 1.990 50 HB3 CYS 6 HB3 CYS 6 -9.904 -1.927 0.949 51 HA PRO 7 HA PRO 7 -11.697 -5.828 -1.367 52 HB2 PRO 7 HB2 PRO 7 -9.170 -6.460 -2.255 53 HB3 PRO 7 HB3 PRO 7 -10.381 -5.594 -3.250 54 HG2 PRO 7 HG2 PRO 7 -8.074 -4.453 -1.661 55 HG3 PRO 7 HG3 PRO 7 -8.592 -4.034 -3.324 56 HD2 PRO 7 HD2 PRO 7 -9.273 -2.586 -1.094 57 HD3 PRO 7 HD3 PRO 7 -10.355 -2.678 -2.513 58 H LYS 8 H LYS 8 -11.052 -7.805 -0.432 59 HA LYS 8 HA LYS 8 -9.411 -7.648 2.046 60 HB2 LYS 8 HB2 LYS 8 -12.028 -8.188 1.941 61 HB3 LYS 8 HB3 LYS 8 -11.446 -9.813 1.546 62 HG2 LYS 8 HG2 LYS 8 -9.954 -9.605 3.628 63 HG3 LYS 8 HG3 LYS 8 -10.818 -8.112 3.996 64 HD2 LYS 8 HD2 LYS 8 -12.920 -9.307 4.233 65 HD3 LYS 8 HD3 LYS 8 -12.215 -10.808 3.624 66 HE2 LYS 8 HE2 LYS 8 -11.329 -9.399 6.182 67 HE3 LYS 8 HE3 LYS 8 -12.503 -10.717 6.128 68 HZ1 LYS 8 HZ1 LYS 8 -10.281 -11.553 6.614 69 HZ2 LYS 8 HZ2 LYS 8 -9.679 -10.940 5.228 70 HZ3 LYS 8 HZ3 LYS 8 -10.778 -12.147 5.178 71 H ILE 9 H ILE 9 -8.853 -8.529 -0.915 72 HA ILE 9 HA ILE 9 -7.689 -11.205 -0.618 73 HB ILE 9 HB ILE 9 -7.040 -9.197 -2.799 74 HG12 ILE 9 HG12 ILE 9 -8.703 -10.842 -4.112 75 HG13 ILE 9 HG13 ILE 9 -9.411 -11.075 -2.521 76 HG21 ILE 9 HG21 ILE 9 -6.807 -12.229 -2.691 77 HG22 ILE 9 HG22 ILE 9 -6.522 -11.236 -4.133 78 HG23 ILE 9 HG23 ILE 9 -5.468 -11.052 -2.755 79 HD11 ILE 9 HD11 ILE 9 -9.981 -8.673 -2.433 80 HD12 ILE 9 HD12 ILE 9 -9.053 -8.380 -3.928 81 HD13 ILE 9 HD13 ILE 9 -10.533 -9.352 -3.963 82 H LEU 10 H LEU 10 -5.612 -11.708 -0.506 83 HA LEU 10 HA LEU 10 -3.823 -9.997 1.085 84 HB2 LEU 10 HB2 LEU 10 -4.419 -12.500 1.398 85 HB3 LEU 10 HB3 LEU 10 -3.273 -12.838 0.115 86 HG LEU 10 HG LEU 10 -2.640 -11.329 2.695 87 HD11 LEU 10 HD11 LEU 10 -1.621 -13.438 3.478 88 HD12 LEU 10 HD12 LEU 10 -2.162 -14.257 1.995 89 HD13 LEU 10 HD13 LEU 10 -3.350 -13.643 3.167 90 HD21 LEU 10 HD21 LEU 10 -0.785 -12.622 0.644 91 HD22 LEU 10 HD22 LEU 10 -0.273 -11.937 2.204 92 HD23 LEU 10 HD23 LEU 10 -0.951 -10.887 0.966 93 H LYS 11 H LYS 11 -3.687 -8.410 -0.686 94 HA LYS 11 HA LYS 11 -1.444 -9.005 -2.583 95 HB2 LYS 11 HB2 LYS 11 -4.197 -7.924 -3.141 96 HB3 LYS 11 HB3 LYS 11 -2.887 -7.216 -4.053 97 HG2 LYS 11 HG2 LYS 11 -3.347 -10.214 -3.927 98 HG3 LYS 11 HG3 LYS 11 -4.069 -9.169 -5.145 99 HD2 LYS 11 HD2 LYS 11 -1.059 -9.451 -4.714 100 HD3 LYS 11 HD3 LYS 11 -1.999 -10.334 -5.918 101 HE2 LYS 11 HE2 LYS 11 -2.683 -8.224 -6.995 102 HE3 LYS 11 HE3 LYS 11 -1.796 -7.292 -5.785 103 HZ1 LYS 11 HZ1 LYS 11 -0.550 -9.199 -7.691 104 HZ2 LYS 11 HZ2 LYS 11 0.261 -8.320 -6.575 105 HZ3 LYS 11 HZ3 LYS 11 -0.496 -7.574 -7.813 106 HA PRO 12 HA PRO 12 -0.622 -5.311 0.094 107 HB2 PRO 12 HB2 PRO 12 1.758 -6.077 1.208 108 HB3 PRO 12 HB3 PRO 12 0.161 -6.593 1.837 109 HG2 PRO 12 HG2 PRO 12 2.025 -8.132 0.055 110 HG3 PRO 12 HG3 PRO 12 1.146 -8.662 1.536 111 HD2 PRO 12 HD2 PRO 12 0.194 -9.152 -1.004 112 HD3 PRO 12 HD3 PRO 12 -0.893 -8.827 0.378 113 H VAL 13 H VAL 13 1.258 -3.841 0.084 114 HA VAL 13 HA VAL 13 2.871 -3.763 -2.391 115 HB VAL 13 HB VAL 13 2.006 -1.554 -3.014 116 HG11 VAL 13 HG11 VAL 13 -0.299 -3.530 -2.938 117 HG12 VAL 13 HG12 VAL 13 -0.034 -2.207 -4.089 118 HG13 VAL 13 HG13 VAL 13 1.057 -3.600 -4.083 119 HG21 VAL 13 HG21 VAL 13 1.118 -0.665 -0.978 120 HG22 VAL 13 HG22 VAL 13 -0.229 -0.808 -2.104 121 HG23 VAL 13 HG23 VAL 13 -0.053 -1.995 -0.813 122 H CYS 14 H CYS 14 4.559 -2.367 -2.288 123 HA CYS 14 HA CYS 14 5.404 -1.507 0.432 124 HB2 CYS 14 HB2 CYS 14 7.075 -2.643 -1.115 125 HB3 CYS 14 HB3 CYS 14 6.917 -1.266 -2.210 126 H GLY 15 H GLY 15 4.612 0.476 1.095 127 HA2 GLY 15 HA2 GLY 15 3.787 2.554 -0.831 128 HA3 GLY 15 HA3 GLY 15 3.722 2.641 0.918 129 H SER 16 H SER 16 4.692 4.718 -0.913 130 HA SER 16 HA SER 16 7.579 4.693 -0.909 131 HB2 SER 16 HB2 SER 16 7.422 6.978 -1.720 132 HB3 SER 16 HB3 SER 16 6.327 5.893 -2.591 133 HG SER 16 HG SER 16 5.349 7.901 -1.995 134 H ASP 17 H ASP 17 5.454 5.330 1.648 135 HA ASP 17 HA ASP 17 7.112 7.082 3.255 136 HB2 ASP 17 HB2 ASP 17 4.652 6.670 3.565 137 HB3 ASP 17 HB3 ASP 17 5.029 5.046 4.136 138 H GLY 18 H GLY 18 7.489 3.758 2.383 139 HA2 GLY 18 HA2 GLY 18 9.546 2.622 2.797 140 HA3 GLY 18 HA3 GLY 18 9.741 3.463 4.323 141 H ARG 19 H ARG 19 6.616 2.081 3.757 142 HA ARG 19 HA ARG 19 7.221 -0.455 5.192 143 HB2 ARG 19 HB2 ARG 19 6.507 1.453 6.770 144 HB3 ARG 19 HB3 ARG 19 4.909 1.344 6.031 145 HG2 ARG 19 HG2 ARG 19 4.624 -0.928 6.849 146 HG3 ARG 19 HG3 ARG 19 6.312 -1.017 7.363 147 HD2 ARG 19 HD2 ARG 19 4.198 0.859 8.509 148 HD3 ARG 19 HD3 ARG 19 4.676 -0.670 9.236 149 HE ARG 19 HE ARG 19 6.104 1.866 9.350 150 HH11 ARG 19 HH11 ARG 19 6.625 -1.581 9.687 151 HH12 ARG 19 HH12 ARG 19 8.116 -1.358 10.560 152 HH21 ARG 19 HH21 ARG 19 7.995 2.079 10.460 153 HH22 ARG 19 HH22 ARG 19 8.859 0.667 10.990 154 H THR 20 H THR 20 5.255 -1.904 5.179 155 HA THR 20 HA THR 20 3.732 -1.660 2.609 156 HB THR 20 HB THR 20 5.289 -3.586 2.697 157 HG1 THR 20 HG1 THR 20 2.623 -4.489 2.681 158 HG21 THR 20 HG21 THR 20 4.662 -5.607 3.926 159 HG22 THR 20 HG22 THR 20 3.381 -4.746 4.777 160 HG23 THR 20 HG23 THR 20 5.085 -4.306 5.057 161 H TYR 21 H TYR 21 1.585 -2.184 2.541 162 HA TYR 21 HA TYR 21 0.082 -2.387 5.102 163 HB2 TYR 21 HB2 TYR 21 -0.958 -1.091 2.583 164 HB3 TYR 21 HB3 TYR 21 -1.579 -1.025 4.230 165 HD1 TYR 21 HD1 TYR 21 0.941 0.322 1.886 166 HD2 TYR 21 HD2 TYR 21 -0.777 0.619 5.836 167 HE1 TYR 21 HE1 TYR 21 1.937 2.593 2.161 168 HE2 TYR 21 HE2 TYR 21 0.256 2.868 6.112 169 HH TYR 21 HH TYR 21 1.565 4.492 5.160 170 H ALA 22 H ALA 22 -2.335 -3.230 4.382 171 HA ALA 22 HA ALA 22 -1.739 -5.946 3.547 172 HB1 ALA 22 HB1 ALA 22 -4.409 -4.574 4.138 173 HB2 ALA 22 HB2 ALA 22 -4.123 -6.324 4.061 174 HB3 ALA 22 HB3 ALA 22 -3.360 -5.364 5.340 175 H ASN 23 H ASN 23 -2.979 -3.168 1.785 176 HA ASN 23 HA ASN 23 -2.724 -4.513 -0.703 177 HB2 ASN 23 HB2 ASN 23 -5.054 -4.057 -1.502 178 HB3 ASN 23 HB3 ASN 23 -4.903 -5.413 -0.382 179 HD21 ASN 23 HD21 ASN 23 -6.424 -5.437 1.245 180 HD22 ASN 23 HD22 ASN 23 -7.340 -4.023 1.728 181 H SER 24 H SER 24 -3.804 -2.902 -2.482 182 HA SER 24 HA SER 24 -2.418 -0.457 -2.129 183 HB2 SER 24 HB2 SER 24 -3.274 0.054 -4.440 184 HB3 SER 24 HB3 SER 24 -2.489 -1.526 -4.302 185 HG SER 24 HG SER 24 -4.471 -1.732 -5.409 186 H CYS 25 H CYS 25 -5.739 -1.271 -1.610 187 HA CYS 25 HA CYS 25 -6.941 1.339 -1.896 188 HB2 CYS 25 HB2 CYS 25 -7.929 -1.025 -1.890 189 HB3 CYS 25 HB3 CYS 25 -7.941 -0.917 -0.150 190 H ILE 26 H ILE 26 -5.828 -0.522 0.769 191 HA ILE 26 HA ILE 26 -6.407 1.459 2.849 192 HB ILE 26 HB ILE 26 -6.129 -1.035 3.278 193 HG12 ILE 26 HG12 ILE 26 -4.970 -0.808 5.497 194 HG13 ILE 26 HG13 ILE 26 -4.534 0.843 5.063 195 HG21 ILE 26 HG21 ILE 26 -3.228 -0.587 3.027 196 HG22 ILE 26 HG22 ILE 26 -4.009 -2.003 3.767 197 HG23 ILE 26 HG23 ILE 26 -4.297 -1.632 2.070 198 HD11 ILE 26 HD11 ILE 26 -6.950 1.445 4.967 199 HD12 ILE 26 HD12 ILE 26 -7.382 -0.251 5.289 200 HD13 ILE 26 HD13 ILE 26 -6.547 0.708 6.524 201 H ALA 27 H ALA 27 -3.508 0.533 1.211 202 HA ALA 27 HA ALA 27 -1.645 2.413 2.172 203 HB1 ALA 27 HB1 ALA 27 -1.108 0.595 0.570 204 HB2 ALA 27 HB2 ALA 27 -1.889 1.511 -0.732 205 HB3 ALA 27 HB3 ALA 27 -0.444 2.158 0.065 206 H ARG 28 H ARG 28 -3.747 2.987 -0.704 207 HA ARG 28 HA ARG 28 -3.136 5.773 -0.949 208 HB2 ARG 28 HB2 ARG 28 -5.009 5.929 -2.460 209 HB3 ARG 28 HB3 ARG 28 -4.076 4.467 -2.781 210 HG2 ARG 28 HG2 ARG 28 -5.776 3.112 -1.596 211 HG3 ARG 28 HG3 ARG 28 -6.701 4.551 -1.211 212 HD2 ARG 28 HD2 ARG 28 -7.775 3.555 -3.066 213 HD3 ARG 28 HD3 ARG 28 -6.965 5.015 -3.654 214 HE ARG 28 HE ARG 28 -5.299 2.648 -3.950 215 HH11 ARG 28 HH11 ARG 28 -7.963 4.310 -5.499 216 HH12 ARG 28 HH12 ARG 28 -7.626 3.613 -7.058 217 HH21 ARG 28 HH21 ARG 28 -4.927 1.772 -5.976 218 HH22 ARG 28 HH22 ARG 28 -5.955 2.211 -7.306 219 H CYS 29 H CYS 29 -5.703 4.223 0.969 220 HA CYS 29 HA CYS 29 -7.093 6.566 1.717 221 HB2 CYS 29 HB2 CYS 29 -6.691 3.892 3.068 222 HB3 CYS 29 HB3 CYS 29 -7.609 5.170 3.843 223 H ASN 30 H ASN 30 -4.074 5.273 3.053 224 HA ASN 30 HA ASN 30 -3.829 7.142 5.234 225 HB2 ASN 30 HB2 ASN 30 -2.326 4.918 4.094 226 HB3 ASN 30 HB3 ASN 30 -1.238 6.269 4.347 227 HD21 ASN 30 HD21 ASN 30 -2.673 3.619 5.868 228 HD22 ASN 30 HD22 ASN 30 -2.374 4.148 7.521 229 H GLY 31 H GLY 31 -3.626 7.804 1.896 230 HA2 GLY 31 HA2 GLY 31 -3.269 9.905 0.917 231 HA3 GLY 31 HA3 GLY 31 -2.516 10.499 2.397 232 H VAL 32 H VAL 32 -1.241 7.514 1.351 233 HA VAL 32 HA VAL 32 1.071 8.761 -0.096 234 HB VAL 32 HB VAL 32 1.278 6.232 1.536 235 HG11 VAL 32 HG11 VAL 32 3.314 8.255 0.508 236 HG12 VAL 32 HG12 VAL 32 3.695 6.885 1.561 237 HG13 VAL 32 HG13 VAL 32 3.089 6.578 -0.048 238 HG21 VAL 32 HG21 VAL 32 2.375 7.587 3.337 239 HG22 VAL 32 HG22 VAL 32 1.864 9.072 2.504 240 HG23 VAL 32 HG23 VAL 32 0.662 7.954 3.193 241 H SER 33 H SER 33 2.036 7.355 -1.667 242 HA SER 33 HA SER 33 0.095 5.455 -2.952 243 HB2 SER 33 HB2 SER 33 0.518 7.478 -4.262 244 HB3 SER 33 HB3 SER 33 2.244 7.068 -4.359 245 HG SER 33 HG SER 33 1.010 6.385 -6.195 246 H ILE 34 H ILE 34 1.170 3.853 -4.357 247 HA ILE 34 HA ILE 34 2.977 2.283 -2.754 248 HB ILE 34 HB ILE 34 2.367 0.549 -3.963 249 HG12 ILE 34 HG12 ILE 34 1.193 2.064 -6.303 250 HG13 ILE 34 HG13 ILE 34 2.799 1.317 -6.290 251 HG21 ILE 34 HG21 ILE 34 -0.049 0.456 -3.933 252 HG22 ILE 34 HG22 ILE 34 0.509 1.520 -2.638 253 HG23 ILE 34 HG23 ILE 34 -0.166 2.203 -4.137 254 HD11 ILE 34 HD11 ILE 34 1.355 -0.210 -7.385 255 HD12 ILE 34 HD12 ILE 34 1.792 -0.901 -5.806 256 HD13 ILE 34 HD13 ILE 34 0.180 -0.180 -6.065 257 H LYS 35 H LYS 35 5.067 2.193 -2.960 258 HA LYS 35 HA LYS 35 6.561 3.487 -5.149 259 HB2 LYS 35 HB2 LYS 35 7.232 3.137 -2.574 260 HB3 LYS 35 HB3 LYS 35 7.857 1.602 -3.175 261 HG2 LYS 35 HG2 LYS 35 9.040 3.033 -5.009 262 HG3 LYS 35 HG3 LYS 35 8.582 4.434 -4.030 263 HD2 LYS 35 HD2 LYS 35 9.827 3.352 -2.082 264 HD3 LYS 35 HD3 LYS 35 10.375 2.106 -3.227 265 HE2 LYS 35 HE2 LYS 35 11.249 4.026 -4.692 266 HE3 LYS 35 HE3 LYS 35 10.908 5.109 -3.343 267 HZ1 LYS 35 HZ1 LYS 35 12.448 3.745 -1.988 268 HZ2 LYS 35 HZ2 LYS 35 13.205 4.385 -3.284 269 HZ3 LYS 35 HZ3 LYS 35 12.790 2.810 -3.286 270 H SER 36 H SER 36 5.724 0.193 -4.129 271 HA SER 36 HA SER 36 5.794 -0.733 -6.881 272 HB2 SER 36 HB2 SER 36 8.198 -0.971 -6.125 273 HB3 SER 36 HB3 SER 36 7.652 -2.184 -4.956 274 HG SER 36 HG SER 36 8.378 -3.067 -6.979 275 H GLU 37 H GLU 37 5.404 -3.163 -6.910 276 HA GLU 37 HA GLU 37 3.013 -3.865 -5.347 277 HB2 GLU 37 HB2 GLU 37 3.106 -5.884 -6.857 278 HB3 GLU 37 HB3 GLU 37 2.757 -4.340 -7.617 279 HG2 GLU 37 HG2 GLU 37 5.018 -4.225 -8.545 280 HG3 GLU 37 HG3 GLU 37 5.523 -5.624 -7.595 281 H GLY 38 H GLY 38 2.855 -5.628 -4.012 282 HA2 GLY 38 HA2 GLY 38 3.455 -7.398 -2.677 283 HA3 GLY 38 HA3 GLY 38 5.055 -7.449 -3.421 284 H SER 39 H SER 39 4.468 -7.654 -0.647 285 HA SER 39 HA SER 39 5.219 -5.383 0.882 286 HB2 SER 39 HB2 SER 39 6.110 -8.239 1.377 287 HB3 SER 39 HB3 SER 39 5.946 -6.950 2.568 288 HG SER 39 HG SER 39 4.152 -8.378 2.609 289 H CYS 40 H CYS 40 7.185 -4.462 1.392 290 HA CYS 40 HA CYS 40 9.464 -5.241 -0.330 291 HB2 CYS 40 HB2 CYS 40 10.409 -2.978 0.449 292 HB3 CYS 40 HB3 CYS 40 9.139 -3.084 -0.737 293 HA PRO 41 HA PRO 41 12.076 -6.515 3.059 294 HB2 PRO 41 HB2 PRO 41 14.549 -6.118 1.994 295 HB3 PRO 41 HB3 PRO 41 13.419 -7.339 1.336 296 HG2 PRO 41 HG2 PRO 41 13.900 -4.517 0.315 297 HG3 PRO 41 HG3 PRO 41 13.888 -6.046 -0.623 298 HD2 PRO 41 HD2 PRO 41 11.664 -4.417 -0.448 299 HD3 PRO 41 HD3 PRO 41 11.531 -6.184 -0.537 300 H THR 42 H THR 42 13.471 -5.684 4.693 301 HA THR 42 HA THR 42 13.322 -2.779 5.124 302 HB THR 42 HB THR 42 14.586 -4.668 7.099 303 HG1 THR 42 HG1 THR 42 11.797 -4.426 6.631 304 HG21 THR 42 HG21 THR 42 14.364 -2.276 7.733 305 HG22 THR 42 HG22 THR 42 13.313 -3.290 8.726 306 HG23 THR 42 HG23 THR 42 12.623 -2.339 7.391 307 H GLY 43 H GLY 43 15.525 -4.618 3.599 308 HA2 GLY 43 HA2 GLY 43 18.046 -3.763 4.764 309 HA3 GLY 43 HA3 GLY 43 17.825 -4.717 3.306 310 H ILE 44 H ILE 44 16.140 -1.766 3.160 311 HA ILE 44 HA ILE 44 17.572 -0.742 0.920 312 HB ILE 44 HB ILE 44 15.139 -0.448 1.658 313 HG12 ILE 44 HG12 ILE 44 15.867 0.414 -0.416 314 HG13 ILE 44 HG13 ILE 44 14.762 1.525 0.370 315 HG21 ILE 44 HG21 ILE 44 14.496 1.561 2.821 316 HG22 ILE 44 HG22 ILE 44 15.535 0.571 3.859 317 HG23 ILE 44 HG23 ILE 44 16.188 2.020 3.074 318 HD11 ILE 44 HD11 ILE 44 16.779 2.940 1.030 319 HD12 ILE 44 HD12 ILE 44 17.750 1.875 -0.022 320 HD13 ILE 44 HD13 ILE 44 16.436 2.828 -0.703 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -16.043 8.617 -4.110 2 H2 LYS 1 H2 LYS 1 -15.154 8.507 -2.744 3 H3 LYS 1 H3 LYS 1 -15.177 7.264 -3.797 4 HA LYS 1 HA LYS 1 -16.564 6.736 -1.884 5 HB2 LYS 1 HB2 LYS 1 -18.032 9.271 -2.712 6 HB3 LYS 1 HB3 LYS 1 -18.701 8.073 -1.616 7 HG2 LYS 1 HG2 LYS 1 -16.110 9.595 -1.084 8 HG3 LYS 1 HG3 LYS 1 -17.706 10.077 -0.514 9 HD2 LYS 1 HD2 LYS 1 -17.927 7.889 0.687 10 HD3 LYS 1 HD3 LYS 1 -16.255 7.500 0.263 11 HE2 LYS 1 HE2 LYS 1 -17.140 9.971 1.829 12 HE3 LYS 1 HE3 LYS 1 -16.612 8.464 2.575 13 HZ1 LYS 1 HZ1 LYS 1 -14.444 8.753 1.500 14 HZ2 LYS 1 HZ2 LYS 1 -14.788 10.034 2.442 15 HZ3 LYS 1 HZ3 LYS 1 -14.919 10.169 0.826 16 H LYS 2 H LYS 2 -16.789 4.898 -3.103 17 HA LYS 2 HA LYS 2 -19.197 4.705 -4.877 18 HB2 LYS 2 HB2 LYS 2 -16.389 3.754 -5.564 19 HB3 LYS 2 HB3 LYS 2 -17.846 3.109 -6.339 20 HG2 LYS 2 HG2 LYS 2 -18.478 5.319 -7.146 21 HG3 LYS 2 HG3 LYS 2 -17.080 6.062 -6.362 22 HD2 LYS 2 HD2 LYS 2 -16.854 3.912 -8.510 23 HD3 LYS 2 HD3 LYS 2 -16.853 5.653 -8.837 24 HE2 LYS 2 HE2 LYS 2 -14.884 5.938 -7.338 25 HE3 LYS 2 HE3 LYS 2 -14.832 4.190 -7.078 26 HZ1 LYS 2 HZ1 LYS 2 -14.441 3.918 -9.470 27 HZ2 LYS 2 HZ2 LYS 2 -13.297 4.887 -8.830 28 HZ3 LYS 2 HZ3 LYS 2 -14.506 5.533 -9.711 29 H VAL 3 H VAL 3 -16.830 2.199 -4.173 30 HA VAL 3 HA VAL 3 -18.820 0.350 -3.202 31 HB VAL 3 HB VAL 3 -16.805 -0.289 -4.427 32 HG11 VAL 3 HG11 VAL 3 -15.108 1.180 -3.426 33 HG12 VAL 3 HG12 VAL 3 -15.227 0.295 -1.889 34 HG13 VAL 3 HG13 VAL 3 -14.626 -0.516 -3.341 35 HG21 VAL 3 HG21 VAL 3 -16.297 -2.327 -3.250 36 HG22 VAL 3 HG22 VAL 3 -16.883 -1.665 -1.717 37 HG23 VAL 3 HG23 VAL 3 -18.018 -1.961 -3.054 38 H CYS 4 H CYS 4 -16.785 2.598 -1.569 39 HA CYS 4 HA CYS 4 -16.598 3.388 0.529 40 HB2 CYS 4 HB2 CYS 4 -19.116 3.330 0.249 41 HB3 CYS 4 HB3 CYS 4 -19.115 1.894 1.266 42 H ALA 5 H ALA 5 -16.350 0.064 0.071 43 HA ALA 5 HA ALA 5 -14.735 -0.244 2.562 44 HB1 ALA 5 HB1 ALA 5 -16.619 -2.288 1.303 45 HB2 ALA 5 HB2 ALA 5 -15.539 -2.579 2.683 46 HB3 ALA 5 HB3 ALA 5 -16.879 -1.425 2.836 47 H CYS 6 H CYS 6 -12.610 -0.589 2.042 48 HA CYS 6 HA CYS 6 -11.617 -1.199 -0.516 49 HB2 CYS 6 HB2 CYS 6 -10.596 -1.178 2.336 50 HB3 CYS 6 HB3 CYS 6 -9.588 -1.810 1.073 51 HA PRO 7 HA PRO 7 -12.069 -5.531 -0.842 52 HB2 PRO 7 HB2 PRO 7 -9.971 -6.312 -2.404 53 HB3 PRO 7 HB3 PRO 7 -11.242 -5.197 -2.985 54 HG2 PRO 7 HG2 PRO 7 -8.502 -4.496 -1.895 55 HG3 PRO 7 HG3 PRO 7 -9.293 -3.886 -3.385 56 HD2 PRO 7 HD2 PRO 7 -9.315 -2.554 -0.982 57 HD3 PRO 7 HD3 PRO 7 -10.661 -2.409 -2.146 58 H LYS 8 H LYS 8 -11.157 -7.671 -0.441 59 HA LYS 8 HA LYS 8 -9.292 -7.809 1.864 60 HB2 LYS 8 HB2 LYS 8 -10.648 -9.844 2.403 61 HB3 LYS 8 HB3 LYS 8 -11.502 -8.313 2.524 62 HG2 LYS 8 HG2 LYS 8 -12.686 -8.725 0.446 63 HG3 LYS 8 HG3 LYS 8 -11.713 -10.172 0.111 64 HD2 LYS 8 HD2 LYS 8 -12.680 -11.335 2.008 65 HD3 LYS 8 HD3 LYS 8 -13.505 -9.860 2.562 66 HE2 LYS 8 HE2 LYS 8 -14.877 -9.809 0.532 67 HE3 LYS 8 HE3 LYS 8 -14.023 -11.212 -0.123 68 HZ1 LYS 8 HZ1 LYS 8 -16.140 -11.834 0.915 69 HZ2 LYS 8 HZ2 LYS 8 -15.662 -11.240 2.358 70 HZ3 LYS 8 HZ3 LYS 8 -14.901 -12.537 1.712 71 H ILE 9 H ILE 9 -8.879 -8.174 -1.191 72 HA ILE 9 HA ILE 9 -7.848 -10.864 -1.553 73 HB ILE 9 HB ILE 9 -7.044 -8.408 -3.123 74 HG12 ILE 9 HG12 ILE 9 -9.402 -10.271 -3.724 75 HG13 ILE 9 HG13 ILE 9 -9.575 -8.649 -3.063 76 HG21 ILE 9 HG21 ILE 9 -6.646 -10.036 -4.970 77 HG22 ILE 9 HG22 ILE 9 -5.635 -10.358 -3.589 78 HG23 ILE 9 HG23 ILE 9 -7.079 -11.363 -3.876 79 HD11 ILE 9 HD11 ILE 9 -8.566 -9.335 -5.833 80 HD12 ILE 9 HD12 ILE 9 -10.044 -8.486 -5.371 81 HD13 ILE 9 HD13 ILE 9 -8.470 -7.710 -5.106 82 H LEU 10 H LEU 10 -5.796 -11.527 -1.543 83 HA LEU 10 HA LEU 10 -3.934 -10.274 0.393 84 HB2 LEU 10 HB2 LEU 10 -4.773 -12.754 0.300 85 HB3 LEU 10 HB3 LEU 10 -3.548 -12.982 -0.931 86 HG LEU 10 HG LEU 10 -3.151 -12.086 1.964 87 HD11 LEU 10 HD11 LEU 10 -2.055 -14.266 2.232 88 HD12 LEU 10 HD12 LEU 10 -2.341 -14.645 0.519 89 HD13 LEU 10 HD13 LEU 10 -3.711 -14.478 1.641 90 HD21 LEU 10 HD21 LEU 10 -1.027 -12.571 -0.167 91 HD22 LEU 10 HD22 LEU 10 -0.711 -12.401 1.575 92 HD23 LEU 10 HD23 LEU 10 -1.377 -11.043 0.675 93 H LYS 11 H LYS 11 -3.568 -8.487 -1.168 94 HA LYS 11 HA LYS 11 -1.229 -9.044 -2.936 95 HB2 LYS 11 HB2 LYS 11 -3.873 -7.860 -3.758 96 HB3 LYS 11 HB3 LYS 11 -2.440 -7.169 -4.476 97 HG2 LYS 11 HG2 LYS 11 -3.097 -10.123 -4.557 98 HG3 LYS 11 HG3 LYS 11 -3.509 -8.985 -5.825 99 HD2 LYS 11 HD2 LYS 11 -0.613 -9.484 -4.964 100 HD3 LYS 11 HD3 LYS 11 -1.456 -10.429 -6.169 101 HE2 LYS 11 HE2 LYS 11 -0.251 -8.923 -7.436 102 HE3 LYS 11 HE3 LYS 11 -1.899 -8.304 -7.479 103 HZ1 LYS 11 HZ1 LYS 11 0.272 -7.262 -5.725 104 HZ2 LYS 11 HZ2 LYS 11 -1.237 -6.628 -5.840 105 HZ3 LYS 11 HZ3 LYS 11 -0.223 -6.565 -7.114 106 HA PRO 12 HA PRO 12 -0.600 -5.534 0.009 107 HB2 PRO 12 HB2 PRO 12 1.760 -6.382 1.144 108 HB3 PRO 12 HB3 PRO 12 0.138 -6.888 1.700 109 HG2 PRO 12 HG2 PRO 12 2.026 -8.391 -0.100 110 HG3 PRO 12 HG3 PRO 12 1.060 -8.982 1.302 111 HD2 PRO 12 HD2 PRO 12 0.242 -9.301 -1.295 112 HD3 PRO 12 HD3 PRO 12 -0.910 -9.034 0.045 113 H VAL 13 H VAL 13 1.286 -4.084 0.222 114 HA VAL 13 HA VAL 13 3.012 -3.798 -2.174 115 HB VAL 13 HB VAL 13 2.218 -1.504 -2.569 116 HG11 VAL 13 HG11 VAL 13 0.205 -1.996 -3.771 117 HG12 VAL 13 HG12 VAL 13 1.254 -3.412 -3.884 118 HG13 VAL 13 HG13 VAL 13 -0.133 -3.418 -2.778 119 HG21 VAL 13 HG21 VAL 13 0.056 -0.739 -1.660 120 HG22 VAL 13 HG22 VAL 13 -0.021 -2.151 -0.602 121 HG23 VAL 13 HG23 VAL 13 1.259 -0.935 -0.385 122 H CYS 14 H CYS 14 4.546 -2.021 -1.946 123 HA CYS 14 HA CYS 14 5.113 -1.243 0.886 124 HB2 CYS 14 HB2 CYS 14 6.936 -2.444 -0.509 125 HB3 CYS 14 HB3 CYS 14 7.023 -0.956 -1.446 126 H GLY 15 H GLY 15 4.524 0.826 1.390 127 HA2 GLY 15 HA2 GLY 15 3.688 2.775 -0.679 128 HA3 GLY 15 HA3 GLY 15 3.659 3.011 1.055 129 H SER 16 H SER 16 4.567 5.062 -0.671 130 HA SER 16 HA SER 16 7.399 5.090 -0.986 131 HB2 SER 16 HB2 SER 16 5.562 7.474 -0.633 132 HB3 SER 16 HB3 SER 16 7.197 7.498 -1.304 133 HG SER 16 HG SER 16 6.492 6.194 -3.013 134 H ASP 17 H ASP 17 5.657 5.442 1.957 135 HA ASP 17 HA ASP 17 7.832 6.717 3.479 136 HB2 ASP 17 HB2 ASP 17 5.304 5.223 4.269 137 HB3 ASP 17 HB3 ASP 17 6.465 5.817 5.449 138 H GLY 18 H GLY 18 7.612 3.651 2.065 139 HA2 GLY 18 HA2 GLY 18 9.140 1.904 2.194 140 HA3 GLY 18 HA3 GLY 18 9.860 2.606 3.639 141 H ARG 19 H ARG 19 6.429 2.117 3.591 142 HA ARG 19 HA ARG 19 6.646 -0.058 5.643 143 HB2 ARG 19 HB2 ARG 19 5.791 2.352 6.126 144 HB3 ARG 19 HB3 ARG 19 4.319 1.851 5.305 145 HG2 ARG 19 HG2 ARG 19 5.393 0.267 7.667 146 HG3 ARG 19 HG3 ARG 19 4.585 1.809 7.908 147 HD2 ARG 19 HD2 ARG 19 2.636 0.815 6.474 148 HD3 ARG 19 HD3 ARG 19 3.398 -0.736 6.808 149 HE ARG 19 HE ARG 19 2.752 -0.623 9.031 150 HH11 ARG 19 HH11 ARG 19 2.085 2.498 7.602 151 HH12 ARG 19 HH12 ARG 19 1.161 3.035 8.981 152 HH21 ARG 19 HH21 ARG 19 1.575 0.115 10.755 153 HH22 ARG 19 HH22 ARG 19 0.880 1.707 10.714 154 H THR 20 H THR 20 5.026 -1.560 5.751 155 HA THR 20 HA THR 20 3.985 -2.500 3.095 156 HB THR 20 HB THR 20 4.814 -4.058 5.551 157 HG1 THR 20 HG1 THR 20 6.448 -3.522 4.152 158 HG21 THR 20 HG21 THR 20 2.823 -5.212 4.687 159 HG22 THR 20 HG22 THR 20 4.281 -6.092 4.247 160 HG23 THR 20 HG23 THR 20 3.449 -5.087 3.026 161 H TYR 21 H TYR 21 1.911 -2.256 2.713 162 HA TYR 21 HA TYR 21 -0.160 -2.263 4.813 163 HB2 TYR 21 HB2 TYR 21 0.026 -1.340 1.919 164 HB3 TYR 21 HB3 TYR 21 -1.412 -1.210 2.881 165 HD1 TYR 21 HD1 TYR 21 -1.384 0.307 4.980 166 HD2 TYR 21 HD2 TYR 21 1.854 0.225 2.123 167 HE1 TYR 21 HE1 TYR 21 -0.503 2.429 5.919 168 HE2 TYR 21 HE2 TYR 21 2.754 2.333 3.104 169 HH TYR 21 HH TYR 21 1.066 4.115 5.683 170 H ALA 22 H ALA 22 -2.224 -3.337 4.117 171 HA ALA 22 HA ALA 22 -1.655 -6.103 3.332 172 HB1 ALA 22 HB1 ALA 22 -3.233 -5.495 5.157 173 HB2 ALA 22 HB2 ALA 22 -4.290 -4.683 3.977 174 HB3 ALA 22 HB3 ALA 22 -4.039 -6.438 3.891 175 H ASN 23 H ASN 23 -2.910 -3.313 1.615 176 HA ASN 23 HA ASN 23 -2.652 -4.625 -0.894 177 HB2 ASN 23 HB2 ASN 23 -4.994 -4.116 -1.666 178 HB3 ASN 23 HB3 ASN 23 -4.842 -5.511 -0.592 179 HD21 ASN 23 HD21 ASN 23 -6.465 -5.587 0.917 180 HD22 ASN 23 HD22 ASN 23 -7.316 -4.179 1.515 181 H SER 24 H SER 24 -3.475 -3.054 -2.702 182 HA SER 24 HA SER 24 -2.209 -0.634 -2.316 183 HB2 SER 24 HB2 SER 24 -4.297 -1.216 -4.453 184 HB3 SER 24 HB3 SER 24 -3.016 0.010 -4.540 185 HG SER 24 HG SER 24 -2.494 -1.957 -5.651 186 H CYS 25 H CYS 25 -5.628 -1.334 -1.977 187 HA CYS 25 HA CYS 25 -6.769 1.251 -2.073 188 HB2 CYS 25 HB2 CYS 25 -7.795 -1.084 -2.037 189 HB3 CYS 25 HB3 CYS 25 -7.711 -1.016 -0.300 190 H ILE 26 H ILE 26 -5.621 -0.575 0.594 191 HA ILE 26 HA ILE 26 -6.121 1.513 2.607 192 HB ILE 26 HB ILE 26 -5.926 -1.069 3.001 193 HG12 ILE 26 HG12 ILE 26 -4.509 0.406 5.211 194 HG13 ILE 26 HG13 ILE 26 -6.059 1.096 4.718 195 HG21 ILE 26 HG21 ILE 26 -3.681 -1.435 2.302 196 HG22 ILE 26 HG22 ILE 26 -3.124 -0.424 3.676 197 HG23 ILE 26 HG23 ILE 26 -3.988 -1.945 3.968 198 HD11 ILE 26 HD11 ILE 26 -6.379 -0.439 6.588 199 HD12 ILE 26 HD12 ILE 26 -7.204 -1.045 5.139 200 HD13 ILE 26 HD13 ILE 26 -5.665 -1.773 5.659 201 H ALA 27 H ALA 27 -3.270 0.352 0.988 202 HA ALA 27 HA ALA 27 -1.327 2.140 2.034 203 HB1 ALA 27 HB1 ALA 27 -0.002 1.619 0.088 204 HB2 ALA 27 HB2 ALA 27 -0.891 0.162 0.566 205 HB3 ALA 27 HB3 ALA 27 -1.436 1.113 -0.826 206 H ARG 28 H ARG 28 -3.743 2.783 -0.460 207 HA ARG 28 HA ARG 28 -2.727 5.525 -0.930 208 HB2 ARG 28 HB2 ARG 28 -4.392 5.745 -2.595 209 HB3 ARG 28 HB3 ARG 28 -3.569 4.201 -2.823 210 HG2 ARG 28 HG2 ARG 28 -5.460 2.980 -1.906 211 HG3 ARG 28 HG3 ARG 28 -6.281 4.451 -1.430 212 HD2 ARG 28 HD2 ARG 28 -5.666 3.630 -4.294 213 HD3 ARG 28 HD3 ARG 28 -7.232 3.473 -3.503 214 HE ARG 28 HE ARG 28 -6.084 5.867 -4.673 215 HH11 ARG 28 HH11 ARG 28 -8.404 4.909 -2.230 216 HH12 ARG 28 HH12 ARG 28 -9.160 6.478 -2.215 217 HH21 ARG 28 HH21 ARG 28 -7.082 7.828 -4.599 218 HH22 ARG 28 HH22 ARG 28 -8.428 8.079 -3.531 219 H CYS 29 H CYS 29 -5.272 4.086 0.919 220 HA CYS 29 HA CYS 29 -7.048 6.180 1.293 221 HB2 CYS 29 HB2 CYS 29 -7.239 3.831 2.119 222 HB3 CYS 29 HB3 CYS 29 -6.140 4.217 3.435 223 H ASN 30 H ASN 30 -4.020 5.691 3.078 224 HA ASN 30 HA ASN 30 -4.215 7.942 4.840 225 HB2 ASN 30 HB2 ASN 30 -1.874 7.360 5.278 226 HB3 ASN 30 HB3 ASN 30 -2.893 5.933 5.292 227 HD21 ASN 30 HD21 ASN 30 -2.090 4.168 4.070 228 HD22 ASN 30 HD22 ASN 30 -1.021 4.464 2.692 229 H GLY 31 H GLY 31 -3.637 7.967 1.470 230 HA2 GLY 31 HA2 GLY 31 -3.612 9.984 0.263 231 HA3 GLY 31 HA3 GLY 31 -2.748 10.798 1.556 232 H VAL 32 H VAL 32 -0.996 8.035 1.248 233 HA VAL 32 HA VAL 32 0.984 9.227 -0.648 234 HB VAL 32 HB VAL 32 1.369 6.819 1.135 235 HG11 VAL 32 HG11 VAL 32 3.321 8.760 -0.175 236 HG12 VAL 32 HG12 VAL 32 3.770 7.540 1.036 237 HG13 VAL 32 HG13 VAL 32 3.144 7.021 -0.511 238 HG21 VAL 32 HG21 VAL 32 1.976 9.760 1.755 239 HG22 VAL 32 HG22 VAL 32 0.792 8.754 2.613 240 HG23 VAL 32 HG23 VAL 32 2.500 8.376 2.737 241 H SER 33 H SER 33 2.115 7.662 -2.164 242 HA SER 33 HA SER 33 0.245 5.814 -3.508 243 HB2 SER 33 HB2 SER 33 2.252 6.018 -5.200 244 HB3 SER 33 HB3 SER 33 0.999 7.254 -5.120 245 HG SER 33 HG SER 33 3.147 8.119 -5.165 246 H ILE 34 H ILE 34 1.249 3.778 -4.441 247 HA ILE 34 HA ILE 34 2.985 2.430 -2.604 248 HB ILE 34 HB ILE 34 2.569 0.588 -3.794 249 HG12 ILE 34 HG12 ILE 34 1.455 2.042 -6.204 250 HG13 ILE 34 HG13 ILE 34 3.036 1.245 -6.104 251 HG21 ILE 34 HG21 ILE 34 0.178 0.351 -3.756 252 HG22 ILE 34 HG22 ILE 34 0.636 1.536 -2.531 253 HG23 ILE 34 HG23 ILE 34 -0.057 2.070 -4.079 254 HD11 ILE 34 HD11 ILE 34 0.356 -0.155 -5.973 255 HD12 ILE 34 HD12 ILE 34 1.576 -0.237 -7.252 256 HD13 ILE 34 HD13 ILE 34 1.931 -0.929 -5.656 257 H LYS 35 H LYS 35 5.087 2.260 -2.720 258 HA LYS 35 HA LYS 35 6.732 3.580 -4.779 259 HB2 LYS 35 HB2 LYS 35 7.344 3.345 -2.308 260 HB3 LYS 35 HB3 LYS 35 7.638 1.631 -2.609 261 HG2 LYS 35 HG2 LYS 35 9.316 2.284 -4.376 262 HG3 LYS 35 HG3 LYS 35 9.007 3.988 -3.993 263 HD2 LYS 35 HD2 LYS 35 9.787 3.565 -1.647 264 HD3 LYS 35 HD3 LYS 35 10.152 1.884 -2.104 265 HE2 LYS 35 HE2 LYS 35 11.674 2.756 -3.908 266 HE3 LYS 35 HE3 LYS 35 11.353 4.402 -3.353 267 HZ1 LYS 35 HZ1 LYS 35 12.643 2.270 -1.732 268 HZ2 LYS 35 HZ2 LYS 35 12.327 3.784 -1.195 269 HZ3 LYS 35 HZ3 LYS 35 13.405 3.548 -2.396 270 H SER 36 H SER 36 5.843 0.282 -3.863 271 HA SER 36 HA SER 36 5.899 -0.584 -6.620 272 HB2 SER 36 HB2 SER 36 8.315 -0.861 -5.917 273 HB3 SER 36 HB3 SER 36 7.780 -2.098 -4.766 274 HG SER 36 HG SER 36 8.454 -2.945 -6.821 275 H GLU 37 H GLU 37 5.460 -2.982 -6.706 276 HA GLU 37 HA GLU 37 3.083 -3.661 -5.110 277 HB2 GLU 37 HB2 GLU 37 4.476 -5.090 -7.406 278 HB3 GLU 37 HB3 GLU 37 2.932 -5.515 -6.689 279 HG2 GLU 37 HG2 GLU 37 2.010 -3.294 -7.419 280 HG3 GLU 37 HG3 GLU 37 3.530 -2.979 -8.259 281 H GLY 38 H GLY 38 2.919 -5.602 -3.945 282 HA2 GLY 38 HA2 GLY 38 3.572 -7.438 -2.705 283 HA3 GLY 38 HA3 GLY 38 5.219 -7.315 -3.329 284 H SER 39 H SER 39 4.348 -7.692 -0.598 285 HA SER 39 HA SER 39 4.918 -5.411 1.068 286 HB2 SER 39 HB2 SER 39 5.682 -7.256 2.689 287 HB3 SER 39 HB3 SER 39 4.000 -7.238 2.161 288 HG SER 39 HG SER 39 6.074 -8.905 1.116 289 H CYS 40 H CYS 40 6.818 -4.628 1.889 290 HA CYS 40 HA CYS 40 9.155 -5.205 0.170 291 HB2 CYS 40 HB2 CYS 40 10.085 -3.090 1.383 292 HB3 CYS 40 HB3 CYS 40 8.947 -3.034 0.064 293 HA PRO 41 HA PRO 41 11.693 -7.149 3.238 294 HB2 PRO 41 HB2 PRO 41 14.209 -6.381 2.471 295 HB3 PRO 41 HB3 PRO 41 13.202 -7.516 1.523 296 HG2 PRO 41 HG2 PRO 41 13.550 -4.532 1.089 297 HG3 PRO 41 HG3 PRO 41 13.657 -5.849 -0.125 298 HD2 PRO 41 HD2 PRO 41 11.363 -4.392 0.217 299 HD3 PRO 41 HD3 PRO 41 11.309 -6.130 -0.156 300 H THR 42 H THR 42 12.603 -6.708 5.251 301 HA THR 42 HA THR 42 13.690 -4.215 6.066 302 HB THR 42 HB THR 42 11.501 -3.333 6.057 303 HG1 THR 42 HG1 THR 42 12.638 -2.659 7.775 304 HG21 THR 42 HG21 THR 42 10.528 -5.554 7.896 305 HG22 THR 42 HG22 THR 42 10.100 -5.382 6.177 306 HG23 THR 42 HG23 THR 42 9.616 -4.141 7.341 307 H GLY 43 H GLY 43 15.122 -4.802 7.349 308 HA2 GLY 43 HA2 GLY 43 15.061 -5.787 9.895 309 HA3 GLY 43 HA3 GLY 43 15.130 -7.289 8.971 310 H ILE 44 H ILE 44 16.881 -7.314 7.269 311 HA ILE 44 HA ILE 44 19.501 -7.033 8.458 312 HB ILE 44 HB ILE 44 18.718 -7.675 5.585 313 HG12 ILE 44 HG12 ILE 44 19.441 -9.578 7.874 314 HG13 ILE 44 HG13 ILE 44 17.794 -9.273 7.333 315 HG21 ILE 44 HG21 ILE 44 21.008 -8.644 5.430 316 HG22 ILE 44 HG22 ILE 44 21.086 -6.934 5.795 317 HG23 ILE 44 HG23 ILE 44 21.349 -8.118 7.092 318 HD11 ILE 44 HD11 ILE 44 18.388 -10.123 5.057 319 HD12 ILE 44 HD12 ILE 44 19.976 -10.611 5.706 320 HD13 ILE 44 HD13 ILE 44 18.496 -11.326 6.357 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -13.578 10.061 -8.553 2 H2 LYS 1 H2 LYS 1 -14.126 10.282 -7.034 3 H3 LYS 1 H3 LYS 1 -12.518 10.343 -7.343 4 HA LYS 1 HA LYS 1 -14.220 7.943 -7.614 5 HB2 LYS 1 HB2 LYS 1 -12.283 8.236 -9.273 6 HB3 LYS 1 HB3 LYS 1 -11.194 8.099 -7.910 7 HG2 LYS 1 HG2 LYS 1 -11.274 5.979 -8.914 8 HG3 LYS 1 HG3 LYS 1 -12.237 5.793 -7.448 9 HD2 LYS 1 HD2 LYS 1 -14.313 5.879 -8.742 10 HD3 LYS 1 HD3 LYS 1 -13.429 6.366 -10.207 11 HE2 LYS 1 HE2 LYS 1 -12.193 4.208 -10.175 12 HE3 LYS 1 HE3 LYS 1 -13.116 3.701 -8.755 13 HZ1 LYS 1 HZ1 LYS 1 -14.076 2.835 -10.822 14 HZ2 LYS 1 HZ2 LYS 1 -14.294 4.337 -11.413 15 HZ3 LYS 1 HZ3 LYS 1 -15.143 3.840 -10.108 16 H LYS 2 H LYS 2 -14.973 8.462 -5.416 17 HA LYS 2 HA LYS 2 -12.996 8.239 -3.186 18 HB2 LYS 2 HB2 LYS 2 -15.939 9.016 -3.171 19 HB3 LYS 2 HB3 LYS 2 -14.871 9.019 -1.777 20 HG2 LYS 2 HG2 LYS 2 -14.563 10.782 -4.250 21 HG3 LYS 2 HG3 LYS 2 -15.307 11.276 -2.742 22 HD2 LYS 2 HD2 LYS 2 -12.383 10.442 -3.003 23 HD3 LYS 2 HD3 LYS 2 -12.984 12.101 -3.053 24 HE2 LYS 2 HE2 LYS 2 -13.986 11.795 -0.779 25 HE3 LYS 2 HE3 LYS 2 -13.265 10.183 -0.698 26 HZ1 LYS 2 HZ1 LYS 2 -11.862 11.847 0.386 27 HZ2 LYS 2 HZ2 LYS 2 -11.745 12.724 -0.981 28 HZ3 LYS 2 HZ3 LYS 2 -11.069 11.238 -0.904 29 H VAL 3 H VAL 3 -12.539 6.150 -2.855 30 HA VAL 3 HA VAL 3 -14.366 3.958 -3.145 31 HB VAL 3 HB VAL 3 -11.947 3.712 -3.276 32 HG11 VAL 3 HG11 VAL 3 -10.518 3.524 -1.314 33 HG12 VAL 3 HG12 VAL 3 -11.211 5.150 -1.384 34 HG13 VAL 3 HG13 VAL 3 -11.858 3.955 -0.240 35 HG21 VAL 3 HG21 VAL 3 -13.422 1.755 -2.821 36 HG22 VAL 3 HG22 VAL 3 -11.768 1.566 -2.238 37 HG23 VAL 3 HG23 VAL 3 -13.057 1.928 -1.081 38 H CYS 4 H CYS 4 -15.589 2.823 -1.757 39 HA CYS 4 HA CYS 4 -16.165 4.003 0.945 40 HB2 CYS 4 HB2 CYS 4 -17.974 2.464 -0.943 41 HB3 CYS 4 HB3 CYS 4 -18.425 3.095 0.638 42 H ALA 5 H ALA 5 -15.422 0.962 -0.697 43 HA ALA 5 HA ALA 5 -14.937 -0.368 1.891 44 HB1 ALA 5 HB1 ALA 5 -16.285 -2.338 1.225 45 HB2 ALA 5 HB2 ALA 5 -17.289 -0.890 1.429 46 HB3 ALA 5 HB3 ALA 5 -16.873 -1.456 -0.202 47 H CYS 6 H CYS 6 -12.720 -0.566 1.508 48 HA CYS 6 HA CYS 6 -11.546 -1.413 -0.928 49 HB2 CYS 6 HB2 CYS 6 -10.734 -1.169 1.984 50 HB3 CYS 6 HB3 CYS 6 -9.661 -1.915 0.837 51 HA PRO 7 HA PRO 7 -12.189 -5.728 -0.806 52 HB2 PRO 7 HB2 PRO 7 -10.230 -6.726 -2.352 53 HB3 PRO 7 HB3 PRO 7 -11.376 -5.512 -2.982 54 HG2 PRO 7 HG2 PRO 7 -8.579 -5.024 -1.899 55 HG3 PRO 7 HG3 PRO 7 -9.284 -4.435 -3.440 56 HD2 PRO 7 HD2 PRO 7 -9.235 -2.952 -1.118 57 HD3 PRO 7 HD3 PRO 7 -10.524 -2.768 -2.333 58 H LYS 8 H LYS 8 -11.210 -7.915 -0.421 59 HA LYS 8 HA LYS 8 -9.424 -7.930 1.955 60 HB2 LYS 8 HB2 LYS 8 -11.911 -8.047 2.278 61 HB3 LYS 8 HB3 LYS 8 -11.926 -9.596 1.435 62 HG2 LYS 8 HG2 LYS 8 -10.748 -10.676 3.140 63 HG3 LYS 8 HG3 LYS 8 -10.074 -9.172 3.788 64 HD2 LYS 8 HD2 LYS 8 -13.035 -9.891 3.944 65 HD3 LYS 8 HD3 LYS 8 -11.855 -10.311 5.197 66 HE2 LYS 8 HE2 LYS 8 -11.255 -7.901 5.439 67 HE3 LYS 8 HE3 LYS 8 -12.496 -7.480 4.253 68 HZ1 LYS 8 HZ1 LYS 8 -14.162 -8.433 5.762 69 HZ2 LYS 8 HZ2 LYS 8 -13.328 -7.252 6.521 70 HZ3 LYS 8 HZ3 LYS 8 -13.011 -8.816 6.857 71 H ILE 9 H ILE 9 -8.880 -8.631 -1.021 72 HA ILE 9 HA ILE 9 -7.866 -11.314 -1.032 73 HB ILE 9 HB ILE 9 -6.501 -10.251 -2.913 74 HG12 ILE 9 HG12 ILE 9 -7.257 -8.274 -4.012 75 HG13 ILE 9 HG13 ILE 9 -8.451 -7.951 -2.769 76 HG21 ILE 9 HG21 ILE 9 -8.488 -11.648 -3.251 77 HG22 ILE 9 HG22 ILE 9 -9.528 -10.214 -3.109 78 HG23 ILE 9 HG23 ILE 9 -8.392 -10.366 -4.465 79 HD11 ILE 9 HD11 ILE 9 -6.714 -7.385 -1.164 80 HD12 ILE 9 HD12 ILE 9 -5.445 -7.943 -2.285 81 HD13 ILE 9 HD13 ILE 9 -6.411 -6.504 -2.665 82 H LEU 10 H LEU 10 -5.431 -11.559 -1.421 83 HA LEU 10 HA LEU 10 -3.813 -10.022 0.586 84 HB2 LEU 10 HB2 LEU 10 -3.681 -12.914 -0.311 85 HB3 LEU 10 HB3 LEU 10 -2.313 -12.119 0.462 86 HG LEU 10 HG LEU 10 -5.057 -12.228 1.781 87 HD11 LEU 10 HD11 LEU 10 -4.286 -14.527 1.383 88 HD12 LEU 10 HD12 LEU 10 -4.179 -14.120 3.102 89 HD13 LEU 10 HD13 LEU 10 -2.707 -14.143 2.104 90 HD21 LEU 10 HD21 LEU 10 -3.724 -11.861 3.842 91 HD22 LEU 10 HD22 LEU 10 -3.490 -10.534 2.701 92 HD23 LEU 10 HD23 LEU 10 -2.236 -11.782 2.876 93 H LYS 11 H LYS 11 -3.446 -8.348 -0.886 94 HA LYS 11 HA LYS 11 -1.159 -8.945 -2.672 95 HB2 LYS 11 HB2 LYS 11 -3.300 -8.910 -4.060 96 HB3 LYS 11 HB3 LYS 11 -3.474 -7.219 -3.631 97 HG2 LYS 11 HG2 LYS 11 -2.441 -7.208 -5.764 98 HG3 LYS 11 HG3 LYS 11 -1.166 -6.814 -4.631 99 HD2 LYS 11 HD2 LYS 11 -0.035 -8.296 -5.907 100 HD3 LYS 11 HD3 LYS 11 -0.661 -9.453 -4.748 101 HE2 LYS 11 HE2 LYS 11 -1.895 -8.790 -7.469 102 HE3 LYS 11 HE3 LYS 11 -0.812 -10.143 -7.156 103 HZ1 LYS 11 HZ1 LYS 11 -3.075 -10.901 -7.098 104 HZ2 LYS 11 HZ2 LYS 11 -3.513 -9.807 -5.978 105 HZ3 LYS 11 HZ3 LYS 11 -2.479 -11.021 -5.586 106 HA PRO 12 HA PRO 12 -0.562 -5.322 0.143 107 HB2 PRO 12 HB2 PRO 12 1.805 -6.101 1.303 108 HB3 PRO 12 HB3 PRO 12 0.193 -6.587 1.897 109 HG2 PRO 12 HG2 PRO 12 2.085 -8.164 0.157 110 HG3 PRO 12 HG3 PRO 12 1.121 -8.709 1.573 111 HD2 PRO 12 HD2 PRO 12 0.340 -9.117 -1.032 112 HD3 PRO 12 HD3 PRO 12 -0.829 -8.875 0.297 113 H VAL 13 H VAL 13 1.368 -3.908 0.304 114 HA VAL 13 HA VAL 13 2.953 -3.674 -2.218 115 HB VAL 13 HB VAL 13 2.247 -1.293 -2.378 116 HG11 VAL 13 HG11 VAL 13 0.148 -1.705 -3.487 117 HG12 VAL 13 HG12 VAL 13 1.224 -3.071 -3.786 118 HG13 VAL 13 HG13 VAL 13 -0.096 -3.217 -2.607 119 HG21 VAL 13 HG21 VAL 13 0.187 -0.528 -1.288 120 HG22 VAL 13 HG22 VAL 13 0.058 -2.037 -0.379 121 HG23 VAL 13 HG23 VAL 13 1.409 -0.919 -0.075 122 H CYS 14 H CYS 14 4.584 -1.980 -2.128 123 HA CYS 14 HA CYS 14 5.503 -1.300 0.640 124 HB2 CYS 14 HB2 CYS 14 7.130 -2.571 -0.887 125 HB3 CYS 14 HB3 CYS 14 7.154 -1.126 -1.899 126 H GLY 15 H GLY 15 4.875 0.711 1.211 127 HA2 GLY 15 HA2 GLY 15 3.944 2.735 -0.707 128 HA3 GLY 15 HA3 GLY 15 4.073 2.915 1.024 129 H SER 16 H SER 16 4.738 4.916 -0.829 130 HA SER 16 HA SER 16 7.463 5.195 -1.491 131 HB2 SER 16 HB2 SER 16 5.503 6.599 -2.232 132 HB3 SER 16 HB3 SER 16 5.601 7.448 -0.677 133 HG SER 16 HG SER 16 6.782 8.506 -2.357 134 H ASP 17 H ASP 17 5.980 5.684 1.610 135 HA ASP 17 HA ASP 17 8.268 6.986 2.901 136 HB2 ASP 17 HB2 ASP 17 5.862 7.362 3.457 137 HB3 ASP 17 HB3 ASP 17 5.753 5.698 4.023 138 H GLY 18 H GLY 18 7.971 3.841 1.851 139 HA2 GLY 18 HA2 GLY 18 9.265 1.951 2.329 140 HA3 GLY 18 HA3 GLY 18 9.840 2.682 3.826 141 H ARG 19 H ARG 19 6.524 2.968 3.625 142 HA ARG 19 HA ARG 19 5.869 1.107 5.749 143 HB2 ARG 19 HB2 ARG 19 4.627 3.325 4.364 144 HB3 ARG 19 HB3 ARG 19 3.553 1.963 4.179 145 HG2 ARG 19 HG2 ARG 19 2.913 3.218 6.099 146 HG3 ARG 19 HG3 ARG 19 3.521 1.661 6.665 147 HD2 ARG 19 HD2 ARG 19 5.563 2.656 7.459 148 HD3 ARG 19 HD3 ARG 19 5.292 4.136 6.540 149 HE ARG 19 HE ARG 19 3.841 3.295 9.017 150 HH11 ARG 19 HH11 ARG 19 4.743 6.020 6.999 151 HH12 ARG 19 HH12 ARG 19 3.492 7.029 7.666 152 HH21 ARG 19 HH21 ARG 19 2.530 4.749 10.038 153 HH22 ARG 19 HH22 ARG 19 2.418 6.380 9.441 154 H THR 20 H THR 20 4.194 -0.493 5.612 155 HA THR 20 HA THR 20 3.742 -1.839 3.000 156 HB THR 20 HB THR 20 4.712 -3.292 5.483 157 HG1 THR 20 HG1 THR 20 6.293 -2.482 4.051 158 HG21 THR 20 HG21 THR 20 4.448 -5.362 4.145 159 HG22 THR 20 HG22 THR 20 3.596 -4.436 2.882 160 HG23 THR 20 HG23 THR 20 2.885 -4.629 4.501 161 H TYR 21 H TYR 21 1.625 -1.688 2.708 162 HA TYR 21 HA TYR 21 -0.250 -2.074 5.002 163 HB2 TYR 21 HB2 TYR 21 -0.650 -0.738 2.302 164 HB3 TYR 21 HB3 TYR 21 -1.906 -0.999 3.495 165 HD1 TYR 21 HD2 TYR 21 -1.834 0.169 5.726 166 HD2 TYR 21 HD1 TYR 21 0.924 1.108 2.539 167 HE1 TYR 21 HE2 TYR 21 -1.320 2.356 6.806 168 HE2 TYR 21 HE1 TYR 21 1.422 3.287 3.616 169 HH TYR 21 HH TYR 21 0.951 4.710 5.364 170 H ALA 22 H ALA 22 -2.082 -3.335 4.624 171 HA ALA 22 HA ALA 22 -1.621 -5.916 3.619 172 HB1 ALA 22 HB1 ALA 22 -4.024 -6.271 4.092 173 HB2 ALA 22 HB2 ALA 22 -3.273 -5.314 5.384 174 HB3 ALA 22 HB3 ALA 22 -4.292 -4.518 4.156 175 H ASN 23 H ASN 23 -3.165 -3.169 1.871 176 HA ASN 23 HA ASN 23 -2.647 -4.529 -0.561 177 HB2 ASN 23 HB2 ASN 23 -5.318 -3.637 -0.995 178 HB3 ASN 23 HB3 ASN 23 -4.633 -5.248 -1.228 179 HD21 ASN 23 HD21 ASN 23 -7.173 -3.622 0.211 180 HD22 ASN 23 HD22 ASN 23 -7.596 -4.926 1.299 181 H SER 24 H SER 24 -3.238 -3.128 -2.484 182 HA SER 24 HA SER 24 -2.087 -0.669 -2.145 183 HB2 SER 24 HB2 SER 24 -4.036 -1.259 -4.412 184 HB3 SER 24 HB3 SER 24 -2.587 -0.240 -4.473 185 HG SER 24 HG SER 24 -2.297 -2.333 -5.427 186 H CYS 25 H CYS 25 -5.510 -1.374 -2.319 187 HA CYS 25 HA CYS 25 -6.763 1.123 -2.316 188 HB2 CYS 25 HB2 CYS 25 -7.633 -1.302 -2.332 189 HB3 CYS 25 HB3 CYS 25 -7.633 -1.223 -0.589 190 H ILE 26 H ILE 26 -5.499 -0.673 0.294 191 HA ILE 26 HA ILE 26 -6.280 1.126 2.461 192 HB ILE 26 HB ILE 26 -4.189 -1.102 2.493 193 HG12 ILE 26 HG12 ILE 26 -6.308 -2.059 1.850 194 HG13 ILE 26 HG13 ILE 26 -5.863 -2.568 3.463 195 HG21 ILE 26 HG21 ILE 26 -4.567 -1.203 4.918 196 HG22 ILE 26 HG22 ILE 26 -3.856 0.330 4.400 197 HG23 ILE 26 HG23 ILE 26 -5.581 0.260 4.816 198 HD11 ILE 26 HD11 ILE 26 -7.508 -0.970 4.437 199 HD12 ILE 26 HD12 ILE 26 -7.942 -0.425 2.800 200 HD13 ILE 26 HD13 ILE 26 -8.272 -2.092 3.302 201 H ALA 27 H ALA 27 -3.126 0.503 0.876 202 HA ALA 27 HA ALA 27 -1.626 2.515 2.166 203 HB1 ALA 27 HB1 ALA 27 -0.691 0.836 0.605 204 HB2 ALA 27 HB2 ALA 27 -1.453 1.669 -0.761 205 HB3 ALA 27 HB3 ALA 27 -0.189 2.483 0.181 206 H ARG 28 H ARG 28 -3.517 2.940 -0.866 207 HA ARG 28 HA ARG 28 -3.120 5.776 -1.026 208 HB2 ARG 28 HB2 ARG 28 -4.873 5.832 -2.668 209 HB3 ARG 28 HB3 ARG 28 -3.815 4.454 -2.954 210 HG2 ARG 28 HG2 ARG 28 -5.475 2.934 -1.952 211 HG3 ARG 28 HG3 ARG 28 -6.561 4.267 -1.604 212 HD2 ARG 28 HD2 ARG 28 -5.626 3.489 -4.396 213 HD3 ARG 28 HD3 ARG 28 -7.164 2.994 -3.667 214 HE ARG 28 HE ARG 28 -7.139 5.779 -3.460 215 HH11 ARG 28 HH11 ARG 28 -7.111 3.537 -6.140 216 HH12 ARG 28 HH12 ARG 28 -7.883 4.670 -7.215 217 HH21 ARG 28 HH21 ARG 28 -8.118 7.176 -4.862 218 HH22 ARG 28 HH22 ARG 28 -8.443 6.677 -6.492 219 H CYS 29 H CYS 29 -5.683 3.970 0.641 220 HA CYS 29 HA CYS 29 -7.298 6.183 1.382 221 HB2 CYS 29 HB2 CYS 29 -7.868 3.762 1.558 222 HB3 CYS 29 HB3 CYS 29 -6.792 3.618 2.941 223 H ASN 30 H ASN 30 -4.437 4.790 2.978 224 HA ASN 30 HA ASN 30 -4.354 6.639 5.208 225 HB2 ASN 30 HB2 ASN 30 -2.529 4.516 4.019 226 HB3 ASN 30 HB3 ASN 30 -1.973 5.595 5.275 227 HD21 ASN 30 HD21 ASN 30 -4.236 2.979 4.572 228 HD22 ASN 30 HD22 ASN 30 -4.616 2.677 6.272 229 H GLY 31 H GLY 31 -3.816 7.303 1.964 230 HA2 GLY 31 HA2 GLY 31 -3.422 9.447 1.192 231 HA3 GLY 31 HA3 GLY 31 -2.645 9.886 2.705 232 H VAL 32 H VAL 32 -1.161 7.023 1.535 233 HA VAL 32 HA VAL 32 1.021 8.521 0.195 234 HB VAL 32 HB VAL 32 2.351 6.535 1.097 235 HG11 VAL 32 HG11 VAL 32 2.847 7.721 3.200 236 HG12 VAL 32 HG12 VAL 32 2.650 8.858 1.856 237 HG13 VAL 32 HG13 VAL 32 1.337 8.646 3.037 238 HG21 VAL 32 HG21 VAL 32 0.489 5.153 1.973 239 HG22 VAL 32 HG22 VAL 32 1.707 5.554 3.196 240 HG23 VAL 32 HG23 VAL 32 0.156 6.406 3.193 241 H SER 33 H SER 33 1.826 7.754 -1.745 242 HA SER 33 HA SER 33 0.290 5.784 -3.191 243 HB2 SER 33 HB2 SER 33 2.294 6.334 -4.818 244 HB3 SER 33 HB3 SER 33 0.961 7.455 -4.581 245 HG SER 33 HG SER 33 3.017 8.496 -4.457 246 H ILE 34 H ILE 34 1.152 3.885 -4.172 247 HA ILE 34 HA ILE 34 3.042 2.429 -2.591 248 HB ILE 34 HB ILE 34 2.382 0.632 -3.717 249 HG12 ILE 34 HG12 ILE 34 1.117 2.123 -6.026 250 HG13 ILE 34 HG13 ILE 34 2.677 1.276 -6.070 251 HG21 ILE 34 HG21 ILE 34 0.631 1.688 -2.293 252 HG22 ILE 34 HG22 ILE 34 -0.168 2.266 -3.773 253 HG23 ILE 34 HG23 ILE 34 -0.011 0.538 -3.464 254 HD11 ILE 34 HD11 ILE 34 1.062 -0.155 -7.063 255 HD12 ILE 34 HD12 ILE 34 1.586 -0.855 -5.519 256 HD13 ILE 34 HD13 ILE 34 -0.005 -0.056 -5.654 257 H LYS 35 H LYS 35 5.116 2.252 -2.929 258 HA LYS 35 HA LYS 35 6.453 3.534 -5.240 259 HB2 LYS 35 HB2 LYS 35 7.229 3.478 -2.712 260 HB3 LYS 35 HB3 LYS 35 7.839 1.884 -3.101 261 HG2 LYS 35 HG2 LYS 35 9.636 3.447 -3.333 262 HG3 LYS 35 HG3 LYS 35 9.200 2.931 -4.967 263 HD2 LYS 35 HD2 LYS 35 7.980 5.065 -5.333 264 HD3 LYS 35 HD3 LYS 35 8.219 5.506 -3.644 265 HE2 LYS 35 HE2 LYS 35 9.785 6.761 -4.895 266 HE3 LYS 35 HE3 LYS 35 10.693 5.527 -4.020 267 HZ1 LYS 35 HZ1 LYS 35 10.777 4.232 -6.098 268 HZ2 LYS 35 HZ2 LYS 35 11.409 5.714 -6.340 269 HZ3 LYS 35 HZ3 LYS 35 9.915 5.374 -6.891 270 H SER 36 H SER 36 5.771 0.299 -4.030 271 HA SER 36 HA SER 36 5.902 -0.733 -6.738 272 HB2 SER 36 HB2 SER 36 8.278 -0.965 -5.909 273 HB3 SER 36 HB3 SER 36 7.686 -2.132 -4.711 274 HG SER 36 HG SER 36 8.451 -3.099 -6.680 275 H GLU 37 H GLU 37 5.426 -3.084 -6.742 276 HA GLU 37 HA GLU 37 2.965 -3.647 -5.214 277 HB2 GLU 37 HB2 GLU 37 4.223 -5.224 -7.476 278 HB3 GLU 37 HB3 GLU 37 2.567 -5.265 -6.897 279 HG2 GLU 37 HG2 GLU 37 2.225 -2.933 -7.733 280 HG3 GLU 37 HG3 GLU 37 3.858 -2.959 -8.408 281 H GLY 38 H GLY 38 2.740 -5.501 -3.951 282 HA2 GLY 38 HA2 GLY 38 3.346 -7.392 -2.723 283 HA3 GLY 38 HA3 GLY 38 4.966 -7.366 -3.422 284 H SER 39 H SER 39 4.142 -7.544 -0.590 285 HA SER 39 HA SER 39 4.908 -5.165 0.851 286 HB2 SER 39 HB2 SER 39 5.581 -6.937 2.618 287 HB3 SER 39 HB3 SER 39 3.886 -6.733 2.184 288 HG SER 39 HG SER 39 4.589 -8.963 2.268 289 H CYS 40 H CYS 40 6.868 -4.406 1.451 290 HA CYS 40 HA CYS 40 9.109 -5.368 -0.190 291 HB2 CYS 40 HB2 CYS 40 10.316 -3.354 0.979 292 HB3 CYS 40 HB3 CYS 40 9.210 -3.182 -0.354 293 HA PRO 41 HA PRO 41 11.451 -7.435 2.987 294 HB2 PRO 41 HB2 PRO 41 14.013 -7.076 2.111 295 HB3 PRO 41 HB3 PRO 41 12.837 -8.107 1.244 296 HG2 PRO 41 HG2 PRO 41 13.572 -5.221 0.645 297 HG3 PRO 41 HG3 PRO 41 13.483 -6.601 -0.498 298 HD2 PRO 41 HD2 PRO 41 11.403 -4.835 -0.190 299 HD3 PRO 41 HD3 PRO 41 11.119 -6.562 -0.500 300 H THR 42 H THR 42 12.687 -6.984 4.864 301 HA THR 42 HA THR 42 12.505 -4.310 5.845 302 HB THR 42 HB THR 42 14.125 -6.256 7.419 303 HG1 THR 42 HG1 THR 42 12.304 -7.500 7.917 304 HG21 THR 42 HG21 THR 42 11.533 -4.746 8.015 305 HG22 THR 42 HG22 THR 42 13.165 -4.147 8.383 306 HG23 THR 42 HG23 THR 42 12.553 -5.596 9.196 307 H GLY 43 H GLY 43 14.848 -5.409 3.881 308 HA2 GLY 43 HA2 GLY 43 16.908 -4.496 3.240 309 HA3 GLY 43 HA3 GLY 43 16.800 -3.344 4.566 310 H ILE 44 H ILE 44 16.486 -6.665 5.399 311 HA ILE 44 HA ILE 44 18.630 -6.752 7.240 312 HB ILE 44 HB ILE 44 16.570 -8.088 7.356 313 HG12 ILE 44 HG12 ILE 44 19.073 -9.822 7.461 314 HG13 ILE 44 HG13 ILE 44 18.642 -8.600 8.663 315 HG21 ILE 44 HG21 ILE 44 16.257 -10.132 6.079 316 HG22 ILE 44 HG22 ILE 44 16.494 -8.813 4.934 317 HG23 ILE 44 HG23 ILE 44 17.824 -9.936 5.275 318 HD11 ILE 44 HD11 ILE 44 17.050 -11.112 8.015 319 HD12 ILE 44 HD12 ILE 44 17.970 -10.763 9.487 320 HD13 ILE 44 HD13 ILE 44 16.509 -9.825 9.121 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -8.858 8.233 -5.146 2 H2 LYS 1 H2 LYS 1 -9.192 9.100 -6.500 3 H3 LYS 1 H3 LYS 1 -9.569 9.698 -5.031 4 HA LYS 1 HA LYS 1 -11.569 8.914 -6.100 5 HB2 LYS 1 HB2 LYS 1 -9.978 6.331 -6.367 6 HB3 LYS 1 HB3 LYS 1 -11.724 6.307 -6.209 7 HG2 LYS 1 HG2 LYS 1 -11.692 6.384 -8.447 8 HG3 LYS 1 HG3 LYS 1 -11.689 8.108 -8.146 9 HD2 LYS 1 HD2 LYS 1 -10.112 7.744 -9.856 10 HD3 LYS 1 HD3 LYS 1 -9.117 8.015 -8.422 11 HE2 LYS 1 HE2 LYS 1 -8.825 5.556 -8.167 12 HE3 LYS 1 HE3 LYS 1 -9.910 5.277 -9.530 13 HZ1 LYS 1 HZ1 LYS 1 -8.316 6.418 -10.968 14 HZ2 LYS 1 HZ2 LYS 1 -7.590 5.163 -10.228 15 HZ3 LYS 1 HZ3 LYS 1 -7.298 6.688 -9.720 16 H LYS 2 H LYS 2 -13.174 8.704 -4.724 17 HA LYS 2 HA LYS 2 -12.689 8.254 -1.865 18 HB2 LYS 2 HB2 LYS 2 -15.225 8.845 -3.436 19 HB3 LYS 2 HB3 LYS 2 -15.100 8.873 -1.681 20 HG2 LYS 2 HG2 LYS 2 -13.500 10.705 -3.529 21 HG3 LYS 2 HG3 LYS 2 -15.058 11.126 -2.856 22 HD2 LYS 2 HD2 LYS 2 -12.653 10.401 -1.127 23 HD3 LYS 2 HD3 LYS 2 -12.997 12.042 -1.650 24 HE2 LYS 2 HE2 LYS 2 -14.952 10.338 -0.040 25 HE3 LYS 2 HE3 LYS 2 -13.792 11.455 0.676 26 HZ1 LYS 2 HZ1 LYS 2 -15.937 12.524 0.404 27 HZ2 LYS 2 HZ2 LYS 2 -15.952 12.250 -1.202 28 HZ3 LYS 2 HZ3 LYS 2 -14.852 13.270 -0.554 29 H VAL 3 H VAL 3 -11.932 6.004 -2.307 30 HA VAL 3 HA VAL 3 -13.726 3.858 -2.882 31 HB VAL 3 HB VAL 3 -12.040 2.483 -1.628 32 HG11 VAL 3 HG11 VAL 3 -10.908 4.282 -3.799 33 HG12 VAL 3 HG12 VAL 3 -10.339 2.661 -3.342 34 HG13 VAL 3 HG13 VAL 3 -11.939 2.857 -4.063 35 HG21 VAL 3 HG21 VAL 3 -11.162 4.233 -0.072 36 HG22 VAL 3 HG22 VAL 3 -9.903 3.399 -0.987 37 HG23 VAL 3 HG23 VAL 3 -10.390 5.036 -1.458 38 H CYS 4 H CYS 4 -14.689 2.335 -1.524 39 HA CYS 4 HA CYS 4 -15.317 3.168 1.277 40 HB2 CYS 4 HB2 CYS 4 -17.070 4.019 -0.192 41 HB3 CYS 4 HB3 CYS 4 -17.327 2.423 -0.879 42 H ALA 5 H ALA 5 -16.545 0.482 -0.764 43 HA ALA 5 HA ALA 5 -15.676 -1.519 1.198 44 HB1 ALA 5 HB1 ALA 5 -17.831 -1.748 0.078 45 HB2 ALA 5 HB2 ALA 5 -17.029 -1.791 -1.512 46 HB3 ALA 5 HB3 ALA 5 -16.748 -3.094 -0.335 47 H CYS 6 H CYS 6 -13.395 -1.103 1.161 48 HA CYS 6 HA CYS 6 -11.706 -1.530 -1.085 49 HB2 CYS 6 HB2 CYS 6 -11.454 -1.493 1.934 50 HB3 CYS 6 HB3 CYS 6 -10.114 -2.036 0.974 51 HA PRO 7 HA PRO 7 -11.839 -5.836 -1.592 52 HB2 PRO 7 HB2 PRO 7 -9.396 -6.482 -2.595 53 HB3 PRO 7 HB3 PRO 7 -10.508 -5.364 -3.437 54 HG2 PRO 7 HG2 PRO 7 -8.162 -4.672 -1.645 55 HG3 PRO 7 HG3 PRO 7 -8.556 -4.002 -3.262 56 HD2 PRO 7 HD2 PRO 7 -9.251 -2.795 -0.891 57 HD3 PRO 7 HD3 PRO 7 -10.247 -2.617 -2.364 58 H LYS 8 H LYS 8 -11.212 -7.928 -0.901 59 HA LYS 8 HA LYS 8 -9.893 -8.055 1.746 60 HB2 LYS 8 HB2 LYS 8 -11.539 -9.939 2.085 61 HB3 LYS 8 HB3 LYS 8 -12.186 -8.316 1.996 62 HG2 LYS 8 HG2 LYS 8 -13.639 -9.891 0.901 63 HG3 LYS 8 HG3 LYS 8 -13.042 -8.720 -0.264 64 HD2 LYS 8 HD2 LYS 8 -11.432 -10.382 -1.141 65 HD3 LYS 8 HD3 LYS 8 -11.946 -11.559 0.074 66 HE2 LYS 8 HE2 LYS 8 -13.780 -10.317 -2.034 67 HE3 LYS 8 HE3 LYS 8 -12.913 -11.836 -2.264 68 HZ1 LYS 8 HZ1 LYS 8 -14.114 -12.752 -0.354 69 HZ2 LYS 8 HZ2 LYS 8 -15.163 -12.244 -1.493 70 HZ3 LYS 8 HZ3 LYS 8 -14.941 -11.356 -0.146 71 H ILE 9 H ILE 9 -8.900 -8.813 -1.158 72 HA ILE 9 HA ILE 9 -7.869 -11.496 -0.831 73 HB ILE 9 HB ILE 9 -6.524 -10.637 -2.855 74 HG12 ILE 9 HG12 ILE 9 -7.409 -8.919 -4.239 75 HG13 ILE 9 HG13 ILE 9 -8.650 -8.505 -3.072 76 HG21 ILE 9 HG21 ILE 9 -8.402 -12.214 -2.964 77 HG22 ILE 9 HG22 ILE 9 -9.548 -10.857 -3.032 78 HG23 ILE 9 HG23 ILE 9 -8.398 -11.126 -4.358 79 HD11 ILE 9 HD11 ILE 9 -6.707 -6.903 -3.187 80 HD12 ILE 9 HD12 ILE 9 -6.968 -7.551 -1.565 81 HD13 ILE 9 HD13 ILE 9 -5.651 -8.193 -2.582 82 H LEU 10 H LEU 10 -5.515 -11.843 -1.094 83 HA LEU 10 HA LEU 10 -3.840 -10.089 0.656 84 HB2 LEU 10 HB2 LEU 10 -3.571 -12.958 -0.308 85 HB3 LEU 10 HB3 LEU 10 -2.244 -12.092 0.458 86 HG LEU 10 HG LEU 10 -4.940 -12.454 1.832 87 HD11 LEU 10 HD11 LEU 10 -3.886 -14.317 3.061 88 HD12 LEU 10 HD12 LEU 10 -2.441 -14.187 2.032 89 HD13 LEU 10 HD13 LEU 10 -4.003 -14.668 1.331 90 HD21 LEU 10 HD21 LEU 10 -3.595 -12.051 3.877 91 HD22 LEU 10 HD22 LEU 10 -3.488 -10.673 2.775 92 HD23 LEU 10 HD23 LEU 10 -2.140 -11.825 2.885 93 H LYS 11 H LYS 11 -3.520 -8.396 -0.813 94 HA LYS 11 HA LYS 11 -1.275 -8.992 -2.642 95 HB2 LYS 11 HB2 LYS 11 -3.333 -8.981 -4.079 96 HB3 LYS 11 HB3 LYS 11 -3.573 -7.279 -3.659 97 HG2 LYS 11 HG2 LYS 11 -1.358 -6.724 -4.638 98 HG3 LYS 11 HG3 LYS 11 -1.054 -8.440 -4.945 99 HD2 LYS 11 HD2 LYS 11 -2.893 -8.514 -6.577 100 HD3 LYS 11 HD3 LYS 11 -3.358 -6.857 -6.163 101 HE2 LYS 11 HE2 LYS 11 -2.116 -6.784 -8.232 102 HE3 LYS 11 HE3 LYS 11 -1.166 -6.019 -6.956 103 HZ1 LYS 11 HZ1 LYS 11 -0.734 -8.720 -8.108 104 HZ2 LYS 11 HZ2 LYS 11 0.045 -8.195 -6.767 105 HZ3 LYS 11 HZ3 LYS 11 0.292 -7.431 -8.177 106 HA PRO 12 HA PRO 12 -0.695 -5.409 0.236 107 HB2 PRO 12 HB2 PRO 12 1.729 -6.184 1.296 108 HB3 PRO 12 HB3 PRO 12 0.137 -6.690 1.931 109 HG2 PRO 12 HG2 PRO 12 1.982 -8.221 0.111 110 HG3 PRO 12 HG3 PRO 12 1.058 -8.792 1.547 111 HD2 PRO 12 HD2 PRO 12 0.200 -9.173 -1.030 112 HD3 PRO 12 HD3 PRO 12 -0.933 -8.926 0.329 113 H VAL 13 H VAL 13 1.113 -3.884 0.351 114 HA VAL 13 HA VAL 13 2.755 -3.613 -2.113 115 HB VAL 13 HB VAL 13 1.884 -1.376 -2.564 116 HG11 VAL 13 HG11 VAL 13 -0.200 -1.924 -3.612 117 HG12 VAL 13 HG12 VAL 13 0.852 -3.339 -3.731 118 HG13 VAL 13 HG13 VAL 13 -0.461 -3.310 -2.539 119 HG21 VAL 13 HG21 VAL 13 1.062 -0.674 -0.378 120 HG22 VAL 13 HG22 VAL 13 -0.249 -0.597 -1.547 121 HG23 VAL 13 HG23 VAL 13 -0.191 -1.936 -0.396 122 H CYS 14 H CYS 14 4.341 -1.939 -1.975 123 HA CYS 14 HA CYS 14 5.047 -1.131 0.821 124 HB2 CYS 14 HB2 CYS 14 6.688 -2.497 -0.595 125 HB3 CYS 14 HB3 CYS 14 6.842 -1.082 -1.623 126 H GLY 15 H GLY 15 4.505 0.941 1.311 127 HA2 GLY 15 HA2 GLY 15 3.822 2.922 -0.776 128 HA3 GLY 15 HA3 GLY 15 3.783 3.173 0.954 129 H SER 16 H SER 16 4.750 5.144 -0.748 130 HA SER 16 HA SER 16 7.577 5.193 -1.078 131 HB2 SER 16 HB2 SER 16 7.306 7.630 -1.269 132 HB3 SER 16 HB3 SER 16 6.118 6.740 -2.235 133 HG SER 16 HG SER 16 5.215 8.498 -1.001 134 H ASP 17 H ASP 17 5.717 5.658 1.824 135 HA ASP 17 HA ASP 17 7.762 6.884 3.463 136 HB2 ASP 17 HB2 ASP 17 5.287 6.842 3.906 137 HB3 ASP 17 HB3 ASP 17 5.416 5.120 4.266 138 H GLY 18 H GLY 18 7.587 3.727 2.143 139 HA2 GLY 18 HA2 GLY 18 9.239 2.092 2.253 140 HA3 GLY 18 HA3 GLY 18 9.872 2.778 3.745 141 H ARG 19 H ARG 19 6.601 2.479 4.202 142 HA ARG 19 HA ARG 19 6.848 -0.086 5.686 143 HB2 ARG 19 HB2 ARG 19 5.775 2.256 6.489 144 HB3 ARG 19 HB3 ARG 19 4.354 1.625 5.674 145 HG2 ARG 19 HG2 ARG 19 4.191 1.128 8.003 146 HG3 ARG 19 HG3 ARG 19 4.482 -0.412 7.191 147 HD2 ARG 19 HD2 ARG 19 6.852 -0.349 7.861 148 HD3 ARG 19 HD3 ARG 19 6.649 1.292 8.506 149 HE ARG 19 HE ARG 19 4.805 -0.467 9.809 150 HH11 ARG 19 HH11 ARG 19 8.243 0.171 9.799 151 HH12 ARG 19 HH12 ARG 19 8.440 -0.347 11.451 152 HH21 ARG 19 HH21 ARG 19 5.113 -1.107 11.910 153 HH22 ARG 19 HH22 ARG 19 6.704 -1.052 12.607 154 H THR 20 H THR 20 5.113 -1.611 5.603 155 HA THR 20 HA THR 20 3.881 -1.964 2.892 156 HB THR 20 HB THR 20 4.777 -4.057 4.900 157 HG1 THR 20 HG1 THR 20 6.380 -3.216 3.532 158 HG21 THR 20 HG21 THR 20 3.351 -4.473 2.238 159 HG22 THR 20 HG22 THR 20 2.694 -4.873 3.845 160 HG23 THR 20 HG23 THR 20 4.101 -5.736 3.235 161 H TYR 21 H TYR 21 1.752 -2.034 2.729 162 HA TYR 21 HA TYR 21 0.050 -2.336 5.161 163 HB2 TYR 21 HB2 TYR 21 -0.700 -0.976 2.574 164 HB3 TYR 21 HB3 TYR 21 -1.538 -0.936 4.119 165 HD1 TYR 21 HD1 TYR 21 1.265 0.450 2.158 166 HD2 TYR 21 HD2 TYR 21 -0.840 0.575 5.926 167 HE1 TYR 21 HE1 TYR 21 2.321 2.649 2.684 168 HE2 TYR 21 HE2 TYR 21 0.233 2.763 6.446 169 HH TYR 21 HH TYR 21 1.642 4.409 5.719 170 H ALA 22 H ALA 22 -2.227 -3.213 4.457 171 HA ALA 22 HA ALA 22 -1.590 -5.928 3.644 172 HB1 ALA 22 HB1 ALA 22 -3.193 -5.344 5.459 173 HB2 ALA 22 HB2 ALA 22 -4.285 -4.616 4.255 174 HB3 ALA 22 HB3 ALA 22 -3.948 -6.357 4.214 175 H ASN 23 H ASN 23 -2.965 -3.254 1.897 176 HA ASN 23 HA ASN 23 -2.688 -4.527 -0.613 177 HB2 ASN 23 HB2 ASN 23 -5.224 -3.943 -1.204 178 HB3 ASN 23 HB3 ASN 23 -4.699 -5.539 -0.698 179 HD21 ASN 23 HD21 ASN 23 -6.690 -2.789 0.189 180 HD22 ASN 23 HD22 ASN 23 -7.336 -3.596 1.622 181 H SER 24 H SER 24 -3.703 -2.960 -2.399 182 HA SER 24 HA SER 24 -2.402 -0.517 -2.010 183 HB2 SER 24 HB2 SER 24 -3.474 0.141 -4.198 184 HB3 SER 24 HB3 SER 24 -2.656 -1.435 -4.225 185 HG SER 24 HG SER 24 -4.747 -1.554 -5.170 186 H CYS 25 H CYS 25 -5.821 -1.207 -1.940 187 HA CYS 25 HA CYS 25 -6.999 1.268 -1.702 188 HB2 CYS 25 HB2 CYS 25 -7.849 -1.228 -1.669 189 HB3 CYS 25 HB3 CYS 25 -7.993 -0.975 0.051 190 H ILE 26 H ILE 26 -5.621 -0.542 0.887 191 HA ILE 26 HA ILE 26 -6.260 1.417 3.009 192 HB ILE 26 HB ILE 26 -6.040 -0.862 3.663 193 HG12 ILE 26 HG12 ILE 26 -3.666 0.113 5.124 194 HG13 ILE 26 HG13 ILE 26 -4.981 1.285 5.049 195 HG21 ILE 26 HG21 ILE 26 -3.225 -0.984 2.789 196 HG22 ILE 26 HG22 ILE 26 -4.029 -2.124 3.890 197 HG23 ILE 26 HG23 ILE 26 -4.636 -1.925 2.249 198 HD11 ILE 26 HD11 ILE 26 -6.565 -0.310 5.993 199 HD12 ILE 26 HD12 ILE 26 -5.302 -1.563 6.058 200 HD13 ILE 26 HD13 ILE 26 -5.163 -0.099 7.058 201 H ALA 27 H ALA 27 -3.310 0.420 1.468 202 HA ALA 27 HA ALA 27 -1.448 2.251 2.436 203 HB1 ALA 27 HB1 ALA 27 -0.937 0.425 0.826 204 HB2 ALA 27 HB2 ALA 27 -1.601 1.405 -0.490 205 HB3 ALA 27 HB3 ALA 27 -0.167 1.963 0.388 206 H ARG 28 H ARG 28 -3.373 2.872 -0.481 207 HA ARG 28 HA ARG 28 -2.712 5.649 -0.801 208 HB2 ARG 28 HB2 ARG 28 -4.475 5.670 -2.464 209 HB3 ARG 28 HB3 ARG 28 -3.497 4.216 -2.604 210 HG2 ARG 28 HG2 ARG 28 -5.405 3.043 -2.661 211 HG3 ARG 28 HG3 ARG 28 -5.551 3.349 -0.946 212 HD2 ARG 28 HD2 ARG 28 -7.648 3.952 -1.896 213 HD3 ARG 28 HD3 ARG 28 -6.848 5.476 -1.534 214 HE ARG 28 HE ARG 28 -6.638 5.932 -3.821 215 HH11 ARG 28 HH11 ARG 28 -7.828 2.655 -3.538 216 HH12 ARG 28 HH12 ARG 28 -7.999 2.469 -5.260 217 HH21 ARG 28 HH21 ARG 28 -6.777 5.590 -6.006 218 HH22 ARG 28 HH22 ARG 28 -7.407 4.079 -6.601 219 H CYS 29 H CYS 29 -5.176 4.205 1.182 220 HA CYS 29 HA CYS 29 -6.892 6.448 1.560 221 HB2 CYS 29 HB2 CYS 29 -7.204 4.029 2.299 222 HB3 CYS 29 HB3 CYS 29 -6.200 4.401 3.691 223 H ASN 30 H ASN 30 -3.800 5.648 3.124 224 HA ASN 30 HA ASN 30 -3.741 7.731 5.086 225 HB2 ASN 30 HB2 ASN 30 -1.473 6.334 3.604 226 HB3 ASN 30 HB3 ASN 30 -1.359 7.185 5.127 227 HD21 ASN 30 HD21 ASN 30 -1.849 4.187 3.677 228 HD22 ASN 30 HD22 ASN 30 -2.326 3.315 5.136 229 H GLY 31 H GLY 31 -3.428 7.909 1.646 230 HA2 GLY 31 HA2 GLY 31 -3.380 9.919 0.426 231 HA3 GLY 31 HA3 GLY 31 -2.495 10.725 1.715 232 H VAL 32 H VAL 32 -0.748 7.918 1.454 233 HA VAL 32 HA VAL 32 1.225 9.060 -0.394 234 HB VAL 32 HB VAL 32 2.580 7.168 0.389 235 HG11 VAL 32 HG11 VAL 32 1.484 8.872 2.653 236 HG12 VAL 32 HG12 VAL 32 3.066 8.067 2.606 237 HG13 VAL 32 HG13 VAL 32 2.712 9.381 1.474 238 HG21 VAL 32 HG21 VAL 32 2.023 5.846 2.336 239 HG22 VAL 32 HG22 VAL 32 0.420 6.586 2.429 240 HG23 VAL 32 HG23 VAL 32 0.843 5.537 1.058 241 H SER 33 H SER 33 2.044 7.910 -2.219 242 HA SER 33 HA SER 33 0.238 5.969 -3.494 243 HB2 SER 33 HB2 SER 33 2.317 6.259 -5.187 244 HB3 SER 33 HB3 SER 33 0.891 7.289 -5.200 245 HG SER 33 HG SER 33 2.029 8.910 -4.312 246 H ILE 34 H ILE 34 1.024 3.883 -4.287 247 HA ILE 34 HA ILE 34 2.906 2.563 -2.623 248 HB ILE 34 HB ILE 34 2.370 0.702 -3.792 249 HG12 ILE 34 HG12 ILE 34 0.994 2.189 -6.045 250 HG13 ILE 34 HG13 ILE 34 2.587 1.425 -6.144 251 HG21 ILE 34 HG21 ILE 34 -0.018 0.526 -3.527 252 HG22 ILE 34 HG22 ILE 34 0.598 1.663 -2.323 253 HG23 ILE 34 HG23 ILE 34 -0.234 2.259 -3.777 254 HD11 ILE 34 HD11 ILE 34 1.574 -0.780 -5.577 255 HD12 ILE 34 HD12 ILE 34 -0.036 -0.029 -5.724 256 HD13 ILE 34 HD13 ILE 34 1.044 -0.088 -7.124 257 H LYS 35 H LYS 35 5.006 2.298 -2.897 258 HA LYS 35 HA LYS 35 6.455 3.510 -5.182 259 HB2 LYS 35 HB2 LYS 35 7.132 3.498 -2.643 260 HB3 LYS 35 HB3 LYS 35 7.664 1.851 -2.940 261 HG2 LYS 35 HG2 LYS 35 9.533 3.342 -3.120 262 HG3 LYS 35 HG3 LYS 35 9.199 2.726 -4.738 263 HD2 LYS 35 HD2 LYS 35 8.713 4.816 -5.560 264 HD3 LYS 35 HD3 LYS 35 7.749 5.247 -4.153 265 HE2 LYS 35 HE2 LYS 35 9.555 6.776 -4.225 266 HE3 LYS 35 HE3 LYS 35 9.814 5.702 -2.849 267 HZ1 LYS 35 HZ1 LYS 35 11.177 5.493 -5.486 268 HZ2 LYS 35 HZ2 LYS 35 11.424 4.465 -4.237 269 HZ3 LYS 35 HZ3 LYS 35 11.857 6.032 -4.106 270 H SER 36 H SER 36 5.621 0.316 -3.943 271 HA SER 36 HA SER 36 5.775 -0.828 -6.624 272 HB2 SER 36 HB2 SER 36 7.172 -2.805 -5.830 273 HB3 SER 36 HB3 SER 36 8.024 -1.298 -6.121 274 HG SER 36 HG SER 36 8.681 -2.248 -4.151 275 H GLU 37 H GLU 37 4.922 -3.061 -6.723 276 HA GLU 37 HA GLU 37 2.840 -3.582 -4.723 277 HB2 GLU 37 HB2 GLU 37 2.087 -5.257 -6.261 278 HB3 GLU 37 HB3 GLU 37 2.173 -3.693 -7.038 279 HG2 GLU 37 HG2 GLU 37 4.287 -4.400 -8.173 280 HG3 GLU 37 HG3 GLU 37 4.203 -5.959 -7.352 281 H GLY 38 H GLY 38 2.592 -5.646 -3.771 282 HA2 GLY 38 HA2 GLY 38 3.293 -7.532 -2.637 283 HA3 GLY 38 HA3 GLY 38 4.894 -7.432 -3.385 284 H SER 39 H SER 39 4.410 -7.851 -0.642 285 HA SER 39 HA SER 39 5.156 -5.614 0.988 286 HB2 SER 39 HB2 SER 39 6.242 -8.420 1.287 287 HB3 SER 39 HB3 SER 39 5.970 -7.219 2.548 288 HG SER 39 HG SER 39 4.337 -8.875 2.482 289 H CYS 40 H CYS 40 7.104 -4.561 1.195 290 HA CYS 40 HA CYS 40 9.030 -4.987 -0.944 291 HB2 CYS 40 HB2 CYS 40 10.347 -3.159 0.486 292 HB3 CYS 40 HB3 CYS 40 9.062 -2.826 -0.645 293 HA PRO 41 HA PRO 41 11.984 -7.607 0.964 294 HB2 PRO 41 HB2 PRO 41 14.340 -6.878 -0.229 295 HB3 PRO 41 HB3 PRO 41 13.004 -7.669 -1.116 296 HG2 PRO 41 HG2 PRO 41 13.631 -4.702 -0.963 297 HG3 PRO 41 HG3 PRO 41 13.301 -5.690 -2.423 298 HD2 PRO 41 HD2 PRO 41 11.346 -4.206 -1.228 299 HD3 PRO 41 HD3 PRO 41 10.988 -5.797 -1.938 300 H THR 42 H THR 42 13.577 -7.743 2.553 301 HA THR 42 HA THR 42 13.801 -5.400 4.289 302 HB THR 42 HB THR 42 14.904 -8.068 5.098 303 HG1 THR 42 HG1 THR 42 12.778 -8.741 5.593 304 HG21 THR 42 HG21 THR 42 14.810 -6.179 6.734 305 HG22 THR 42 HG22 THR 42 13.759 -7.513 7.217 306 HG23 THR 42 HG23 THR 42 13.058 -6.058 6.479 307 H GLY 43 H GLY 43 15.707 -6.109 1.835 308 HA2 GLY 43 HA2 GLY 43 17.855 -5.325 1.305 309 HA3 GLY 43 HA3 GLY 43 18.149 -4.954 3.001 310 H ILE 44 H ILE 44 17.142 -8.093 1.770 311 HA ILE 44 HA ILE 44 19.454 -9.466 3.015 312 HB ILE 44 HB ILE 44 16.877 -10.554 1.809 313 HG12 ILE 44 HG12 ILE 44 17.629 -10.336 4.766 314 HG13 ILE 44 HG13 ILE 44 16.665 -9.116 3.951 315 HG21 ILE 44 HG21 ILE 44 17.533 -12.670 2.977 316 HG22 ILE 44 HG22 ILE 44 18.717 -12.220 1.762 317 HG23 ILE 44 HG23 ILE 44 19.058 -11.912 3.478 318 HD11 ILE 44 HD11 ILE 44 14.946 -10.792 3.372 319 HD12 ILE 44 HD12 ILE 44 15.846 -12.015 4.305 320 HD13 ILE 44 HD13 ILE 44 15.184 -10.591 5.118 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -18.667 12.603 1.072 2 H2 LYS 1 H2 LYS 1 -17.730 13.781 1.697 3 H3 LYS 1 H3 LYS 1 -17.087 12.314 1.440 4 HA LYS 1 HA LYS 1 -17.454 12.561 3.762 5 HB2 LYS 1 HB2 LYS 1 -19.585 13.116 4.721 6 HB3 LYS 1 HB3 LYS 1 -19.086 14.375 3.613 7 HG2 LYS 1 HG2 LYS 1 -20.670 13.678 1.927 8 HG3 LYS 1 HG3 LYS 1 -21.071 12.194 2.795 9 HD2 LYS 1 HD2 LYS 1 -21.619 14.993 3.874 10 HD3 LYS 1 HD3 LYS 1 -22.781 14.017 2.962 11 HE2 LYS 1 HE2 LYS 1 -22.574 12.198 4.680 12 HE3 LYS 1 HE3 LYS 1 -21.517 13.246 5.632 13 HZ1 LYS 1 HZ1 LYS 1 -23.810 13.392 6.393 14 HZ2 LYS 1 HZ2 LYS 1 -24.336 13.860 4.922 15 HZ3 LYS 1 HZ3 LYS 1 -23.359 14.841 5.793 16 H LYS 2 H LYS 2 -17.757 10.274 1.610 17 HA LYS 2 HA LYS 2 -18.949 8.297 3.476 18 HB2 LYS 2 HB2 LYS 2 -20.071 7.154 1.620 19 HB3 LYS 2 HB3 LYS 2 -20.735 8.737 2.000 20 HG2 LYS 2 HG2 LYS 2 -19.559 9.700 -0.002 21 HG3 LYS 2 HG3 LYS 2 -18.918 8.098 -0.356 22 HD2 LYS 2 HD2 LYS 2 -20.669 8.258 -1.808 23 HD3 LYS 2 HD3 LYS 2 -21.368 7.294 -0.519 24 HE2 LYS 2 HE2 LYS 2 -21.715 10.328 -0.756 25 HE3 LYS 2 HE3 LYS 2 -22.761 9.186 -1.593 26 HZ1 LYS 2 HZ1 LYS 2 -22.483 9.349 1.355 27 HZ2 LYS 2 HZ2 LYS 2 -23.403 8.252 0.559 28 HZ3 LYS 2 HZ3 LYS 2 -23.765 9.838 0.479 29 H VAL 3 H VAL 3 -17.459 6.907 4.022 30 HA VAL 3 HA VAL 3 -14.972 6.546 2.638 31 HB VAL 3 HB VAL 3 -14.688 4.667 4.279 32 HG11 VAL 3 HG11 VAL 3 -13.841 6.939 4.675 33 HG12 VAL 3 HG12 VAL 3 -15.385 7.397 5.426 34 HG13 VAL 3 HG13 VAL 3 -14.350 6.168 6.184 35 HG21 VAL 3 HG21 VAL 3 -17.068 4.109 4.760 36 HG22 VAL 3 HG22 VAL 3 -16.142 4.490 6.213 37 HG23 VAL 3 HG23 VAL 3 -17.263 5.690 5.552 38 H CYS 4 H CYS 4 -14.331 5.121 1.169 39 HA CYS 4 HA CYS 4 -16.234 3.377 -0.186 40 HB2 CYS 4 HB2 CYS 4 -13.218 3.687 -0.466 41 HB3 CYS 4 HB3 CYS 4 -14.261 2.795 -1.568 42 H ALA 5 H ALA 5 -15.910 1.087 -0.532 43 HA ALA 5 HA ALA 5 -14.807 -0.396 1.812 44 HB1 ALA 5 HB1 ALA 5 -17.179 -0.739 1.374 45 HB2 ALA 5 HB2 ALA 5 -16.828 -1.230 -0.299 46 HB3 ALA 5 HB3 ALA 5 -16.254 -2.220 1.062 47 H CYS 6 H CYS 6 -12.602 -0.395 1.268 48 HA CYS 6 HA CYS 6 -11.494 -1.239 -1.195 49 HB2 CYS 6 HB2 CYS 6 -10.601 -0.951 1.690 50 HB3 CYS 6 HB3 CYS 6 -9.553 -1.738 0.549 51 HA PRO 7 HA PRO 7 -12.055 -5.591 -1.018 52 HB2 PRO 7 HB2 PRO 7 -10.080 -6.566 -2.578 53 HB3 PRO 7 HB3 PRO 7 -11.308 -5.452 -3.220 54 HG2 PRO 7 HG2 PRO 7 -8.503 -4.777 -2.287 55 HG3 PRO 7 HG3 PRO 7 -9.321 -4.264 -3.797 56 HD2 PRO 7 HD2 PRO 7 -9.207 -2.750 -1.483 57 HD3 PRO 7 HD3 PRO 7 -10.534 -2.594 -2.662 58 H LYS 8 H LYS 8 -11.138 -7.670 -0.390 59 HA LYS 8 HA LYS 8 -9.256 -7.498 1.892 60 HB2 LYS 8 HB2 LYS 8 -10.750 -9.200 2.878 61 HB3 LYS 8 HB3 LYS 8 -11.519 -7.644 2.584 62 HG2 LYS 8 HG2 LYS 8 -12.732 -8.522 0.672 63 HG3 LYS 8 HG3 LYS 8 -11.795 -10.018 0.706 64 HD2 LYS 8 HD2 LYS 8 -13.974 -10.448 1.561 65 HD3 LYS 8 HD3 LYS 8 -12.832 -10.631 2.882 66 HE2 LYS 8 HE2 LYS 8 -14.395 -8.046 2.427 67 HE3 LYS 8 HE3 LYS 8 -15.119 -9.424 3.252 68 HZ1 LYS 8 HZ1 LYS 8 -12.689 -7.997 4.186 69 HZ2 LYS 8 HZ2 LYS 8 -13.327 -9.327 4.899 70 HZ3 LYS 8 HZ3 LYS 8 -14.167 -7.934 4.864 71 H ILE 9 H ILE 9 -8.733 -8.410 -1.021 72 HA ILE 9 HA ILE 9 -7.852 -11.113 -0.952 73 HB ILE 9 HB ILE 9 -6.441 -10.168 -2.876 74 HG12 ILE 9 HG12 ILE 9 -7.049 -8.166 -3.980 75 HG13 ILE 9 HG13 ILE 9 -8.275 -7.774 -2.790 76 HG21 ILE 9 HG21 ILE 9 -8.517 -11.449 -3.159 77 HG22 ILE 9 HG22 ILE 9 -9.467 -9.953 -3.020 78 HG23 ILE 9 HG23 ILE 9 -8.365 -10.190 -4.392 79 HD11 ILE 9 HD11 ILE 9 -6.606 -7.213 -1.135 80 HD12 ILE 9 HD12 ILE 9 -5.304 -7.871 -2.156 81 HD13 ILE 9 HD13 ILE 9 -6.179 -6.408 -2.650 82 H LEU 10 H LEU 10 -5.521 -11.639 -1.329 83 HA LEU 10 HA LEU 10 -3.693 -10.282 0.626 84 HB2 LEU 10 HB2 LEU 10 -3.835 -13.133 -0.403 85 HB3 LEU 10 HB3 LEU 10 -2.393 -12.495 0.381 86 HG LEU 10 HG LEU 10 -5.120 -12.539 1.732 87 HD11 LEU 10 HD11 LEU 10 -2.769 -14.472 1.960 88 HD12 LEU 10 HD12 LEU 10 -4.357 -14.833 1.252 89 HD13 LEU 10 HD13 LEU 10 -4.222 -14.484 2.980 90 HD21 LEU 10 HD21 LEU 10 -2.279 -12.171 2.830 91 HD22 LEU 10 HD22 LEU 10 -3.775 -12.251 3.794 92 HD23 LEU 10 HD23 LEU 10 -3.502 -10.885 2.703 93 H LYS 11 H LYS 11 -3.329 -8.596 -0.901 94 HA LYS 11 HA LYS 11 -0.990 -9.221 -2.587 95 HB2 LYS 11 HB2 LYS 11 -3.595 -8.224 -3.655 96 HB3 LYS 11 HB3 LYS 11 -2.204 -7.332 -4.217 97 HG2 LYS 11 HG2 LYS 11 -2.399 -10.352 -4.455 98 HG3 LYS 11 HG3 LYS 11 -2.923 -9.201 -5.687 99 HD2 LYS 11 HD2 LYS 11 -0.612 -8.215 -5.721 100 HD3 LYS 11 HD3 LYS 11 -0.076 -9.511 -4.631 101 HE2 LYS 11 HE2 LYS 11 -0.702 -11.209 -6.285 102 HE3 LYS 11 HE3 LYS 11 -1.405 -9.971 -7.334 103 HZ1 LYS 11 HZ1 LYS 11 1.472 -10.161 -6.632 104 HZ2 LYS 11 HZ2 LYS 11 0.816 -8.981 -7.560 105 HZ3 LYS 11 HZ3 LYS 11 0.816 -10.533 -8.082 106 HA PRO 12 HA PRO 12 -0.524 -5.577 0.242 107 HB2 PRO 12 HB2 PRO 12 1.756 -6.380 1.537 108 HB3 PRO 12 HB3 PRO 12 0.109 -6.844 2.050 109 HG2 PRO 12 HG2 PRO 12 2.065 -8.433 0.400 110 HG3 PRO 12 HG3 PRO 12 1.053 -8.974 1.786 111 HD2 PRO 12 HD2 PRO 12 0.369 -9.407 -0.836 112 HD3 PRO 12 HD3 PRO 12 -0.861 -9.127 0.426 113 H VAL 13 H VAL 13 1.286 -4.068 0.352 114 HA VAL 13 HA VAL 13 3.081 -4.010 -2.010 115 HB VAL 13 HB VAL 13 2.204 -1.932 -2.827 116 HG11 VAL 13 HG11 VAL 13 1.144 -4.081 -3.644 117 HG12 VAL 13 HG12 VAL 13 -0.215 -3.735 -2.568 118 HG13 VAL 13 HG13 VAL 13 0.193 -2.608 -3.876 119 HG21 VAL 13 HG21 VAL 13 1.333 -0.902 -0.774 120 HG22 VAL 13 HG22 VAL 13 0.121 -0.941 -2.047 121 HG23 VAL 13 HG23 VAL 13 0.028 -2.107 -0.708 122 H CYS 14 H CYS 14 4.503 -2.135 -2.010 123 HA CYS 14 HA CYS 14 5.199 -1.179 0.724 124 HB2 CYS 14 HB2 CYS 14 6.907 -2.344 -0.870 125 HB3 CYS 14 HB3 CYS 14 6.877 -0.834 -1.769 126 H GLY 15 H GLY 15 4.409 0.796 1.245 127 HA2 GLY 15 HA2 GLY 15 3.477 2.748 -0.746 128 HA3 GLY 15 HA3 GLY 15 3.568 2.976 0.993 129 H SER 16 H SER 16 4.267 4.974 -0.785 130 HA SER 16 HA SER 16 7.056 5.284 -1.307 131 HB2 SER 16 HB2 SER 16 5.162 6.671 -2.206 132 HB3 SER 16 HB3 SER 16 5.081 7.489 -0.634 133 HG SER 16 HG SER 16 6.397 8.610 -2.172 134 H ASP 17 H ASP 17 5.301 5.632 1.663 135 HA ASP 17 HA ASP 17 7.343 6.935 3.274 136 HB2 ASP 17 HB2 ASP 17 5.896 6.335 5.138 137 HB3 ASP 17 HB3 ASP 17 4.981 7.078 3.832 138 H GLY 18 H GLY 18 7.234 3.814 1.946 139 HA2 GLY 18 HA2 GLY 18 8.807 2.122 2.132 140 HA3 GLY 18 HA3 GLY 18 9.489 2.871 3.571 141 H ARG 19 H ARG 19 6.123 2.582 4.031 142 HA ARG 19 HA ARG 19 6.445 0.146 5.705 143 HB2 ARG 19 HB2 ARG 19 4.698 2.534 5.698 144 HB3 ARG 19 HB3 ARG 19 3.763 1.071 5.849 145 HG2 ARG 19 HG2 ARG 19 6.134 1.786 7.633 146 HG3 ARG 19 HG3 ARG 19 4.443 2.128 8.016 147 HD2 ARG 19 HD2 ARG 19 3.913 -0.296 7.900 148 HD3 ARG 19 HD3 ARG 19 5.612 -0.665 7.608 149 HE ARG 19 HE ARG 19 4.346 0.057 10.138 150 HH11 ARG 19 HH11 ARG 19 7.483 -0.043 8.577 151 HH12 ARG 19 HH12 ARG 19 8.324 -0.177 10.096 152 HH21 ARG 19 HH21 ARG 19 5.475 -0.122 12.020 153 HH22 ARG 19 HH22 ARG 19 7.211 -0.214 11.987 154 H THR 20 H THR 20 4.769 -1.466 5.655 155 HA THR 20 HA THR 20 3.605 -2.014 2.957 156 HB THR 20 HB THR 20 4.761 -4.015 4.930 157 HG1 THR 20 HG1 THR 20 6.257 -2.997 3.563 158 HG21 THR 20 HG21 THR 20 3.369 -4.547 2.268 159 HG22 THR 20 HG22 THR 20 2.728 -4.972 3.872 160 HG23 THR 20 HG23 THR 20 4.197 -5.741 3.288 161 H TYR 21 H TYR 21 1.476 -1.840 2.966 162 HA TYR 21 HA TYR 21 -0.076 -2.580 5.380 163 HB2 TYR 21 HB2 TYR 21 -1.017 -1.040 2.959 164 HB3 TYR 21 HB3 TYR 21 -1.775 -1.252 4.543 165 HD1 TYR 21 HD2 TYR 21 1.150 0.449 2.869 166 HD2 TYR 21 HD1 TYR 21 -1.619 0.399 6.193 167 HE1 TYR 21 HE2 TYR 21 1.952 2.693 3.578 168 HE2 TYR 21 HE1 TYR 21 -0.828 2.661 6.864 169 HH TYR 21 HH TYR 21 1.859 4.329 5.237 170 H ALA 22 H ALA 22 -2.398 -3.415 4.476 171 HA ALA 22 HA ALA 22 -1.734 -6.059 3.609 172 HB1 ALA 22 HB1 ALA 22 -3.529 -5.477 5.225 173 HB2 ALA 22 HB2 ALA 22 -4.452 -4.695 3.916 174 HB3 ALA 22 HB3 ALA 22 -4.156 -6.443 3.876 175 H ASN 23 H ASN 23 -2.706 -3.288 1.654 176 HA ASN 23 HA ASN 23 -2.431 -4.698 -0.759 177 HB2 ASN 23 HB2 ASN 23 -4.912 -3.933 -1.473 178 HB3 ASN 23 HB3 ASN 23 -4.460 -5.555 -0.996 179 HD21 ASN 23 HD21 ASN 23 -6.671 -3.021 -0.348 180 HD22 ASN 23 HD22 ASN 23 -7.337 -3.835 1.071 181 H SER 24 H SER 24 -3.220 -3.155 -2.669 182 HA SER 24 HA SER 24 -1.922 -0.676 -2.293 183 HB2 SER 24 HB2 SER 24 -2.816 -0.132 -4.577 184 HB3 SER 24 HB3 SER 24 -2.002 -1.705 -4.476 185 HG SER 24 HG SER 24 -3.998 -1.892 -5.569 186 H CYS 25 H CYS 25 -5.341 -1.386 -2.515 187 HA CYS 25 HA CYS 25 -6.529 1.094 -2.394 188 HB2 CYS 25 HB2 CYS 25 -7.461 -1.291 -2.557 189 HB3 CYS 25 HB3 CYS 25 -7.615 -1.247 -0.820 190 H ILE 26 H ILE 26 -5.576 -0.811 0.312 191 HA ILE 26 HA ILE 26 -6.565 1.014 2.370 192 HB ILE 26 HB ILE 26 -5.979 -1.573 2.537 193 HG12 ILE 26 HG12 ILE 26 -7.109 -0.681 4.390 194 HG13 ILE 26 HG13 ILE 26 -5.655 -1.461 5.017 195 HG21 ILE 26 HG21 ILE 26 -3.441 -0.474 3.608 196 HG22 ILE 26 HG22 ILE 26 -4.005 -2.165 3.692 197 HG23 ILE 26 HG23 ILE 26 -3.645 -1.443 2.128 198 HD11 ILE 26 HD11 ILE 26 -6.009 0.562 6.244 199 HD12 ILE 26 HD12 ILE 26 -4.579 0.806 5.227 200 HD13 ILE 26 HD13 ILE 26 -6.149 1.526 4.772 201 H ALA 27 H ALA 27 -3.345 0.376 1.111 202 HA ALA 27 HA ALA 27 -1.879 2.324 2.574 203 HB1 ALA 27 HB1 ALA 27 -0.264 2.147 0.646 204 HB2 ALA 27 HB2 ALA 27 -0.783 0.584 1.312 205 HB3 ALA 27 HB3 ALA 27 -1.490 1.156 -0.192 206 H ARG 28 H ARG 28 -3.416 2.737 -0.672 207 HA ARG 28 HA ARG 28 -2.919 5.566 -0.839 208 HB2 ARG 28 HB2 ARG 28 -4.544 5.655 -2.604 209 HB3 ARG 28 HB3 ARG 28 -3.505 4.239 -2.798 210 HG2 ARG 28 HG2 ARG 28 -5.284 2.788 -1.949 211 HG3 ARG 28 HG3 ARG 28 -6.314 4.163 -1.597 212 HD2 ARG 28 HD2 ARG 28 -7.104 3.173 -3.607 213 HD3 ARG 28 HD3 ARG 28 -6.388 4.741 -4.011 214 HE ARG 28 HE ARG 28 -4.348 2.827 -4.364 215 HH11 ARG 28 HH11 ARG 28 -7.456 3.446 -5.841 216 HH12 ARG 28 HH12 ARG 28 -6.971 2.780 -7.375 217 HH21 ARG 28 HH21 ARG 28 -3.768 2.025 -6.364 218 HH22 ARG 28 HH22 ARG 28 -4.938 1.995 -7.647 219 H CYS 29 H CYS 29 -5.494 3.882 0.818 220 HA CYS 29 HA CYS 29 -7.252 6.056 1.279 221 HB2 CYS 29 HB2 CYS 29 -7.551 3.566 1.787 222 HB3 CYS 29 HB3 CYS 29 -6.705 3.863 3.300 223 H ASN 30 H ASN 30 -4.284 5.173 3.030 224 HA ASN 30 HA ASN 30 -4.427 7.300 5.016 225 HB2 ASN 30 HB2 ASN 30 -2.402 5.233 4.102 226 HB3 ASN 30 HB3 ASN 30 -1.878 6.587 5.066 227 HD21 ASN 30 HD21 ASN 30 -3.488 3.514 5.192 228 HD22 ASN 30 HD22 ASN 30 -3.833 3.618 6.917 229 H GLY 31 H GLY 31 -3.857 7.448 1.684 230 HA2 GLY 31 HA2 GLY 31 -3.690 9.451 0.518 231 HA3 GLY 31 HA3 GLY 31 -2.904 10.233 1.883 232 H VAL 32 H VAL 32 -1.055 7.535 1.713 233 HA VAL 32 HA VAL 32 1.033 8.753 0.085 234 HB VAL 32 HB VAL 32 2.259 6.682 0.798 235 HG11 VAL 32 HG11 VAL 32 2.646 7.495 3.082 236 HG12 VAL 32 HG12 VAL 32 2.514 8.840 1.939 237 HG13 VAL 32 HG13 VAL 32 1.149 8.446 3.009 238 HG21 VAL 32 HG21 VAL 32 -0.061 6.210 2.708 239 HG22 VAL 32 HG22 VAL 32 0.370 5.171 1.331 240 HG23 VAL 32 HG23 VAL 32 1.491 5.364 2.679 241 H SER 33 H SER 33 1.817 8.028 -1.830 242 HA SER 33 HA SER 33 0.206 6.148 -3.426 243 HB2 SER 33 HB2 SER 33 1.304 8.232 -4.350 244 HB3 SER 33 HB3 SER 33 2.860 7.397 -4.202 245 HG SER 33 HG SER 33 0.631 6.879 -5.877 246 H ILE 34 H ILE 34 1.622 4.663 -4.793 247 HA ILE 34 HA ILE 34 2.847 2.670 -2.903 248 HB ILE 34 HB ILE 34 1.632 2.123 -5.627 249 HG12 ILE 34 HG12 ILE 34 -0.207 2.799 -4.238 250 HG13 ILE 34 HG13 ILE 34 -0.225 1.044 -4.315 251 HG21 ILE 34 HG21 ILE 34 2.659 0.289 -3.420 252 HG22 ILE 34 HG22 ILE 34 1.547 -0.266 -4.669 253 HG23 ILE 34 HG23 ILE 34 3.147 0.348 -5.127 254 HD11 ILE 34 HD11 ILE 34 -0.596 1.499 -2.065 255 HD12 ILE 34 HD12 ILE 34 1.157 1.150 -2.073 256 HD13 ILE 34 HD13 ILE 34 0.583 2.820 -1.991 257 H LYS 35 H LYS 35 4.902 2.570 -2.892 258 HA LYS 35 HA LYS 35 6.665 3.534 -5.034 259 HB2 LYS 35 HB2 LYS 35 7.170 3.463 -2.489 260 HB3 LYS 35 HB3 LYS 35 7.504 1.745 -2.721 261 HG2 LYS 35 HG2 LYS 35 9.161 2.428 -4.545 262 HG3 LYS 35 HG3 LYS 35 8.853 4.116 -4.099 263 HD2 LYS 35 HD2 LYS 35 9.657 3.595 -1.773 264 HD3 LYS 35 HD3 LYS 35 10.025 1.939 -2.314 265 HE2 LYS 35 HE2 LYS 35 11.491 2.941 -4.125 266 HE3 LYS 35 HE3 LYS 35 11.210 4.534 -3.413 267 HZ1 LYS 35 HZ1 LYS 35 12.523 2.244 -2.043 268 HZ2 LYS 35 HZ2 LYS 35 12.243 3.700 -1.351 269 HZ3 LYS 35 HZ3 LYS 35 13.278 3.575 -2.605 270 H SER 36 H SER 36 5.416 0.391 -3.958 271 HA SER 36 HA SER 36 5.779 -0.799 -6.562 272 HB2 SER 36 HB2 SER 36 7.335 -2.679 -5.756 273 HB3 SER 36 HB3 SER 36 8.052 -1.133 -6.164 274 HG SER 36 HG SER 36 8.878 -1.958 -4.193 275 H GLU 37 H GLU 37 4.992 -2.994 -6.734 276 HA GLU 37 HA GLU 37 3.007 -3.697 -4.718 277 HB2 GLU 37 HB2 GLU 37 2.494 -3.679 -7.074 278 HB3 GLU 37 HB3 GLU 37 3.764 -4.892 -7.400 279 HG2 GLU 37 HG2 GLU 37 2.536 -6.499 -6.038 280 HG3 GLU 37 HG3 GLU 37 1.314 -5.269 -5.694 281 H GLY 38 H GLY 38 2.884 -5.722 -3.822 282 HA2 GLY 38 HA2 GLY 38 3.663 -7.627 -2.688 283 HA3 GLY 38 HA3 GLY 38 5.256 -7.441 -3.431 284 H SER 39 H SER 39 4.563 -7.857 -0.601 285 HA SER 39 HA SER 39 5.228 -5.621 1.023 286 HB2 SER 39 HB2 SER 39 6.332 -8.403 1.423 287 HB3 SER 39 HB3 SER 39 5.975 -7.195 2.650 288 HG SER 39 HG SER 39 4.368 -8.862 2.520 289 H CYS 40 H CYS 40 7.095 -4.496 1.281 290 HA CYS 40 HA CYS 40 9.203 -4.981 -0.669 291 HB2 CYS 40 HB2 CYS 40 10.324 -2.983 0.676 292 HB3 CYS 40 HB3 CYS 40 9.103 -2.812 -0.556 293 HA PRO 41 HA PRO 41 12.056 -7.380 1.586 294 HB2 PRO 41 HB2 PRO 41 14.500 -6.554 0.629 295 HB3 PRO 41 HB3 PRO 41 13.311 -7.485 -0.330 296 HG2 PRO 41 HG2 PRO 41 13.755 -4.483 -0.323 297 HG3 PRO 41 HG3 PRO 41 13.603 -5.578 -1.734 298 HD2 PRO 41 HD2 PRO 41 11.478 -4.129 -0.827 299 HD3 PRO 41 HD3 PRO 41 11.263 -5.788 -1.430 300 H THR 42 H THR 42 12.706 -7.344 3.620 301 HA THR 42 HA THR 42 13.382 -4.792 4.954 302 HB THR 42 HB THR 42 12.884 -7.310 6.506 303 HG1 THR 42 HG1 THR 42 10.661 -6.989 6.315 304 HG21 THR 42 HG21 THR 42 13.256 -5.143 7.699 305 HG22 THR 42 HG22 THR 42 11.623 -5.759 7.967 306 HG23 THR 42 HG23 THR 42 11.890 -4.433 6.815 307 H GLY 43 H GLY 43 15.183 -7.167 3.649 308 HA2 GLY 43 HA2 GLY 43 17.107 -7.729 5.771 309 HA3 GLY 43 HA3 GLY 43 17.243 -8.192 4.080 310 H ILE 44 H ILE 44 16.870 -5.176 3.457 311 HA ILE 44 HA ILE 44 19.724 -4.376 3.540 312 HB ILE 44 HB ILE 44 17.332 -2.983 2.280 313 HG12 ILE 44 HG12 ILE 44 17.633 -5.099 1.136 314 HG13 ILE 44 HG13 ILE 44 18.164 -3.782 0.113 315 HG21 ILE 44 HG21 ILE 44 19.099 -1.748 0.991 316 HG22 ILE 44 HG22 ILE 44 19.110 -1.393 2.719 317 HG23 ILE 44 HG23 ILE 44 20.332 -2.481 2.039 318 HD11 ILE 44 HD11 ILE 44 20.544 -4.328 0.622 319 HD12 ILE 44 HD12 ILE 44 20.001 -5.671 1.657 320 HD13 ILE 44 HD13 ILE 44 19.670 -5.697 -0.082 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -17.050 10.979 0.185 2 H2 LYS 1 H2 LYS 1 -16.802 11.797 -1.209 3 H3 LYS 1 H3 LYS 1 -17.649 10.404 -1.227 4 HA LYS 1 HA LYS 1 -15.446 10.012 -2.097 5 HB2 LYS 1 HB2 LYS 1 -14.448 11.949 -0.763 6 HB3 LYS 1 HB3 LYS 1 -14.445 10.895 0.641 7 HG2 LYS 1 HG2 LYS 1 -12.282 10.674 -0.137 8 HG3 LYS 1 HG3 LYS 1 -13.045 9.255 -0.858 9 HD2 LYS 1 HD2 LYS 1 -13.249 10.477 -3.031 10 HD3 LYS 1 HD3 LYS 1 -12.592 11.925 -2.261 11 HE2 LYS 1 HE2 LYS 1 -10.771 10.996 -3.423 12 HE3 LYS 1 HE3 LYS 1 -10.491 10.630 -1.720 13 HZ1 LYS 1 HZ1 LYS 1 -11.338 8.365 -2.159 14 HZ2 LYS 1 HZ2 LYS 1 -10.075 8.700 -3.132 15 HZ3 LYS 1 HZ3 LYS 1 -11.586 8.731 -3.737 16 H LYS 2 H LYS 2 -15.727 7.840 -2.235 17 HA LYS 2 HA LYS 2 -16.348 6.196 0.172 18 HB2 LYS 2 HB2 LYS 2 -16.364 5.593 -2.796 19 HB3 LYS 2 HB3 LYS 2 -16.766 4.412 -1.555 20 HG2 LYS 2 HG2 LYS 2 -18.292 7.027 -1.937 21 HG3 LYS 2 HG3 LYS 2 -18.736 5.494 -2.684 22 HD2 LYS 2 HD2 LYS 2 -18.964 4.437 -0.463 23 HD3 LYS 2 HD3 LYS 2 -18.584 5.967 0.333 24 HE2 LYS 2 HE2 LYS 2 -20.926 5.562 -1.585 25 HE3 LYS 2 HE3 LYS 2 -21.044 5.353 0.162 26 HZ1 LYS 2 HZ1 LYS 2 -20.321 7.895 -1.191 27 HZ2 LYS 2 HZ2 LYS 2 -20.387 7.684 0.434 28 HZ3 LYS 2 HZ3 LYS 2 -21.740 7.568 -0.464 29 H VAL 3 H VAL 3 -14.168 6.684 0.998 30 HA VAL 3 HA VAL 3 -11.909 5.098 0.019 31 HB VAL 3 HB VAL 3 -10.958 5.666 2.279 32 HG11 VAL 3 HG11 VAL 3 -11.845 8.024 0.599 33 HG12 VAL 3 HG12 VAL 3 -10.458 7.970 1.702 34 HG13 VAL 3 HG13 VAL 3 -10.459 6.964 0.246 35 HG21 VAL 3 HG21 VAL 3 -13.062 6.054 3.537 36 HG22 VAL 3 HG22 VAL 3 -11.934 7.410 3.627 37 HG23 VAL 3 HG23 VAL 3 -13.348 7.523 2.572 38 H CYS 4 H CYS 4 -14.646 4.452 2.040 39 HA CYS 4 HA CYS 4 -13.583 2.067 3.337 40 HB2 CYS 4 HB2 CYS 4 -16.443 3.004 2.881 41 HB3 CYS 4 HB3 CYS 4 -15.948 1.707 3.964 42 H ALA 5 H ALA 5 -14.999 -0.030 2.983 43 HA ALA 5 HA ALA 5 -15.392 -1.875 1.757 44 HB1 ALA 5 HB1 ALA 5 -16.892 -1.666 -0.112 45 HB2 ALA 5 HB2 ALA 5 -17.326 -0.468 1.124 46 HB3 ALA 5 HB3 ALA 5 -16.447 0.037 -0.341 47 H CYS 6 H CYS 6 -12.693 -0.642 1.377 48 HA CYS 6 HA CYS 6 -11.547 -1.286 -1.088 49 HB2 CYS 6 HB2 CYS 6 -10.661 -1.331 1.823 50 HB3 CYS 6 HB3 CYS 6 -9.587 -1.860 0.568 51 HA PRO 7 HA PRO 7 -12.037 -5.629 -1.413 52 HB2 PRO 7 HB2 PRO 7 -9.893 -6.430 -2.925 53 HB3 PRO 7 HB3 PRO 7 -11.214 -5.403 -3.550 54 HG2 PRO 7 HG2 PRO 7 -8.486 -4.537 -2.564 55 HG3 PRO 7 HG3 PRO 7 -9.364 -3.991 -4.025 56 HD2 PRO 7 HD2 PRO 7 -9.319 -2.623 -1.625 57 HD3 PRO 7 HD3 PRO 7 -10.686 -2.503 -2.758 58 H LYS 8 H LYS 8 -11.639 -7.468 -0.298 59 HA LYS 8 HA LYS 8 -9.616 -7.574 1.787 60 HB2 LYS 8 HB2 LYS 8 -10.750 -9.680 2.366 61 HB3 LYS 8 HB3 LYS 8 -11.857 -8.326 2.251 62 HG2 LYS 8 HG2 LYS 8 -12.731 -9.099 0.135 63 HG3 LYS 8 HG3 LYS 8 -11.469 -10.339 -0.011 64 HD2 LYS 8 HD2 LYS 8 -12.351 -11.560 1.889 65 HD3 LYS 8 HD3 LYS 8 -13.513 -10.267 2.252 66 HE2 LYS 8 HE2 LYS 8 -14.675 -10.644 0.135 67 HE3 LYS 8 HE3 LYS 8 -13.478 -11.849 -0.354 68 HZ1 LYS 8 HZ1 LYS 8 -15.490 -12.877 0.569 69 HZ2 LYS 8 HZ2 LYS 8 -15.275 -12.123 1.999 70 HZ3 LYS 8 HZ3 LYS 8 -14.200 -13.244 1.494 71 H ILE 9 H ILE 9 -8.978 -7.913 -1.248 72 HA ILE 9 HA ILE 9 -7.844 -10.479 -1.658 73 HB ILE 9 HB ILE 9 -8.412 -9.022 -3.441 74 HG12 ILE 9 HG12 ILE 9 -5.446 -9.511 -3.537 75 HG13 ILE 9 HG13 ILE 9 -6.688 -10.758 -3.746 76 HG21 ILE 9 HG21 ILE 9 -5.996 -7.251 -2.820 77 HG22 ILE 9 HG22 ILE 9 -7.245 -6.977 -4.050 78 HG23 ILE 9 HG23 ILE 9 -7.635 -6.811 -2.338 79 HD11 ILE 9 HD11 ILE 9 -7.552 -9.534 -5.742 80 HD12 ILE 9 HD12 ILE 9 -6.207 -8.376 -5.583 81 HD13 ILE 9 HD13 ILE 9 -5.873 -10.081 -5.919 82 H LEU 10 H LEU 10 -5.900 -11.206 -1.608 83 HA LEU 10 HA LEU 10 -4.016 -10.091 0.437 84 HB2 LEU 10 HB2 LEU 10 -5.029 -12.493 0.453 85 HB3 LEU 10 HB3 LEU 10 -3.779 -12.884 -0.716 86 HG LEU 10 HG LEU 10 -3.346 -11.701 2.075 87 HD11 LEU 10 HD11 LEU 10 -2.550 -13.939 2.695 88 HD12 LEU 10 HD12 LEU 10 -2.908 -14.538 1.059 89 HD13 LEU 10 HD13 LEU 10 -4.225 -14.006 2.129 90 HD21 LEU 10 HD21 LEU 10 -1.310 -12.807 0.095 91 HD22 LEU 10 HD22 LEU 10 -0.972 -12.378 1.788 92 HD23 LEU 10 HD23 LEU 10 -1.446 -11.123 0.647 93 H LYS 11 H LYS 11 -3.522 -8.419 -1.120 94 HA LYS 11 HA LYS 11 -1.101 -9.107 -2.719 95 HB2 LYS 11 HB2 LYS 11 -3.042 -9.016 -4.316 96 HB3 LYS 11 HB3 LYS 11 -3.323 -7.348 -3.819 97 HG2 LYS 11 HG2 LYS 11 -0.744 -7.048 -4.498 98 HG3 LYS 11 HG3 LYS 11 -1.004 -8.527 -5.399 99 HD2 LYS 11 HD2 LYS 11 -2.721 -6.010 -5.654 100 HD3 LYS 11 HD3 LYS 11 -1.306 -6.305 -6.648 101 HE2 LYS 11 HE2 LYS 11 -3.676 -8.223 -6.542 102 HE3 LYS 11 HE3 LYS 11 -3.579 -6.866 -7.668 103 HZ1 LYS 11 HZ1 LYS 11 -2.747 -8.880 -8.704 104 HZ2 LYS 11 HZ2 LYS 11 -1.612 -9.089 -7.550 105 HZ3 LYS 11 HZ3 LYS 11 -1.526 -7.810 -8.565 106 HA PRO 12 HA PRO 12 -0.577 -5.461 0.093 107 HB2 PRO 12 HB2 PRO 12 1.761 -6.249 1.318 108 HB3 PRO 12 HB3 PRO 12 0.126 -6.711 1.878 109 HG2 PRO 12 HG2 PRO 12 2.046 -8.324 0.215 110 HG3 PRO 12 HG3 PRO 12 1.025 -8.838 1.607 111 HD2 PRO 12 HD2 PRO 12 0.320 -9.276 -1.017 112 HD3 PRO 12 HD3 PRO 12 -0.888 -8.988 0.268 113 H VAL 13 H VAL 13 1.228 -3.968 0.211 114 HA VAL 13 HA VAL 13 3.029 -3.857 -2.156 115 HB VAL 13 HB VAL 13 2.283 -1.587 -2.700 116 HG11 VAL 13 HG11 VAL 13 -0.131 -3.438 -2.762 117 HG12 VAL 13 HG12 VAL 13 0.248 -2.096 -3.860 118 HG13 VAL 13 HG13 VAL 13 1.244 -3.558 -3.873 119 HG21 VAL 13 HG21 VAL 13 0.153 -0.697 -1.856 120 HG22 VAL 13 HG22 VAL 13 0.026 -2.029 -0.697 121 HG23 VAL 13 HG23 VAL 13 1.343 -0.839 -0.562 122 H CYS 14 H CYS 14 4.690 -2.262 -1.970 123 HA CYS 14 HA CYS 14 5.282 -1.339 0.812 124 HB2 CYS 14 HB2 CYS 14 7.097 -2.509 -0.611 125 HB3 CYS 14 HB3 CYS 14 7.080 -1.066 -1.619 126 H GLY 15 H GLY 15 4.499 0.660 1.292 127 HA2 GLY 15 HA2 GLY 15 3.706 2.597 -0.815 128 HA3 GLY 15 HA3 GLY 15 3.532 2.801 0.918 129 H SER 16 H SER 16 4.469 4.862 -0.771 130 HA SER 16 HA SER 16 7.342 4.975 -0.895 131 HB2 SER 16 HB2 SER 16 5.367 7.278 -0.986 132 HB3 SER 16 HB3 SER 16 7.063 7.322 -1.479 133 HG SER 16 HG SER 16 4.956 5.796 -2.638 134 H ASP 17 H ASP 17 5.283 5.484 1.776 135 HA ASP 17 HA ASP 17 7.111 7.063 3.433 136 HB2 ASP 17 HB2 ASP 17 4.552 5.501 3.882 137 HB3 ASP 17 HB3 ASP 17 5.519 6.023 5.251 138 H GLY 18 H GLY 18 7.359 3.893 2.281 139 HA2 GLY 18 HA2 GLY 18 9.078 2.385 2.721 140 HA3 GLY 18 HA3 GLY 18 9.501 3.257 4.191 141 H ARG 19 H ARG 19 6.204 2.260 3.701 142 HA ARG 19 HA ARG 19 6.454 0.105 5.771 143 HB2 ARG 19 HB2 ARG 19 5.295 2.521 6.224 144 HB3 ARG 19 HB3 ARG 19 3.930 1.720 5.476 145 HG2 ARG 19 HG2 ARG 19 3.688 1.509 7.825 146 HG3 ARG 19 HG3 ARG 19 4.138 -0.100 7.260 147 HD2 ARG 19 HD2 ARG 19 6.450 0.237 8.001 148 HD3 ARG 19 HD3 ARG 19 6.141 1.930 8.366 149 HE ARG 19 HE ARG 19 5.399 -0.420 9.979 150 HH11 ARG 19 HH11 ARG 19 4.860 3.020 9.620 151 HH12 ARG 19 HH12 ARG 19 4.329 3.199 11.270 152 HH21 ARG 19 HH21 ARG 19 4.718 -0.127 12.062 153 HH22 ARG 19 HH22 ARG 19 4.253 1.456 12.607 154 H THR 20 H THR 20 4.716 -1.433 5.794 155 HA THR 20 HA THR 20 3.708 -2.196 3.070 156 HB THR 20 HB THR 20 4.574 -3.929 5.411 157 HG1 THR 20 HG1 THR 20 6.256 -4.397 4.212 158 HG21 THR 20 HG21 THR 20 3.484 -4.810 2.702 159 HG22 THR 20 HG22 THR 20 2.644 -4.997 4.259 160 HG23 THR 20 HG23 THR 20 4.148 -5.861 3.984 161 H TYR 21 H TYR 21 1.576 -2.071 2.818 162 HA TYR 21 HA TYR 21 -0.234 -2.497 5.127 163 HB2 TYR 21 HB2 TYR 21 -0.868 -1.037 2.571 164 HB3 TYR 21 HB3 TYR 21 -1.699 -1.022 4.126 165 HD1 TYR 21 HD1 TYR 21 -0.925 0.377 5.993 166 HD2 TYR 21 HD2 TYR 21 1.080 0.402 2.168 167 HE1 TYR 21 HE1 TYR 21 0.263 2.485 6.617 168 HE2 TYR 21 HE2 TYR 21 2.253 2.502 2.798 169 HH TYR 21 HH TYR 21 2.539 4.117 4.394 170 H ALA 22 H ALA 22 -2.475 -3.298 4.246 171 HA ALA 22 HA ALA 22 -1.845 -5.992 3.439 172 HB1 ALA 22 HB1 ALA 22 -4.272 -6.342 3.790 173 HB2 ALA 22 HB2 ALA 22 -3.585 -5.370 5.107 174 HB3 ALA 22 HB3 ALA 22 -4.540 -4.589 3.821 175 H ASN 23 H ASN 23 -3.144 -3.275 1.594 176 HA ASN 23 HA ASN 23 -2.713 -4.569 -0.898 177 HB2 ASN 23 HB2 ASN 23 -5.185 -4.247 -1.625 178 HB3 ASN 23 HB3 ASN 23 -4.711 -5.732 -0.809 179 HD21 ASN 23 HD21 ASN 23 -6.797 -2.946 -0.613 180 HD22 ASN 23 HD22 ASN 23 -7.508 -3.462 0.921 181 H SER 24 H SER 24 -3.583 -3.215 -2.761 182 HA SER 24 HA SER 24 -2.267 -0.842 -2.440 183 HB2 SER 24 HB2 SER 24 -3.055 -0.281 -4.769 184 HB3 SER 24 HB3 SER 24 -2.402 -1.922 -4.594 185 HG SER 24 HG SER 24 -4.396 -1.926 -5.736 186 H CYS 25 H CYS 25 -5.720 -1.275 -2.538 187 HA CYS 25 HA CYS 25 -6.779 1.293 -2.479 188 HB2 CYS 25 HB2 CYS 25 -7.867 -1.002 -2.468 189 HB3 CYS 25 HB3 CYS 25 -7.758 -0.989 -0.729 190 H ILE 26 H ILE 26 -5.817 -0.559 0.259 191 HA ILE 26 HA ILE 26 -6.358 1.558 2.224 192 HB ILE 26 HB ILE 26 -6.059 -1.152 2.592 193 HG12 ILE 26 HG12 ILE 26 -5.781 -0.663 5.073 194 HG13 ILE 26 HG13 ILE 26 -5.528 1.027 4.664 195 HG21 ILE 26 HG21 ILE 26 -4.177 -1.736 3.869 196 HG22 ILE 26 HG22 ILE 26 -3.644 -1.169 2.291 197 HG23 ILE 26 HG23 ILE 26 -3.511 -0.092 3.711 198 HD11 ILE 26 HD11 ILE 26 -8.059 -0.606 4.089 199 HD12 ILE 26 HD12 ILE 26 -7.861 0.568 5.404 200 HD13 ILE 26 HD13 ILE 26 -7.861 1.122 3.723 201 H ALA 27 H ALA 27 -3.465 0.348 0.712 202 HA ALA 27 HA ALA 27 -1.565 2.169 1.808 203 HB1 ALA 27 HB1 ALA 27 -1.515 0.819 -0.911 204 HB2 ALA 27 HB2 ALA 27 -0.124 1.387 0.030 205 HB3 ALA 27 HB3 ALA 27 -1.088 0.015 0.611 206 H ARG 28 H ARG 28 -4.119 2.969 -0.226 207 HA ARG 28 HA ARG 28 -2.819 5.563 -0.966 208 HB2 ARG 28 HB2 ARG 28 -4.314 5.808 -2.808 209 HB3 ARG 28 HB3 ARG 28 -3.407 4.306 -2.963 210 HG2 ARG 28 HG2 ARG 28 -5.326 2.975 -2.317 211 HG3 ARG 28 HG3 ARG 28 -6.269 4.388 -1.883 212 HD2 ARG 28 HD2 ARG 28 -5.285 3.755 -4.693 213 HD3 ARG 28 HD3 ARG 28 -6.915 3.430 -4.073 214 HE ARG 28 HE ARG 28 -6.377 6.185 -3.646 215 HH11 ARG 28 HH11 ARG 28 -6.973 4.103 -6.386 216 HH12 ARG 28 HH12 ARG 28 -7.554 5.416 -7.373 217 HH21 ARG 28 HH21 ARG 28 -7.064 7.822 -4.958 218 HH22 ARG 28 HH22 ARG 28 -7.611 7.466 -6.568 219 H CYS 29 H CYS 29 -5.690 4.168 0.475 220 HA CYS 29 HA CYS 29 -7.200 6.523 0.887 221 HB2 CYS 29 HB2 CYS 29 -6.956 3.914 2.411 222 HB3 CYS 29 HB3 CYS 29 -8.092 5.161 2.898 223 H ASN 30 H ASN 30 -4.348 5.452 2.640 224 HA ASN 30 HA ASN 30 -4.443 7.331 4.820 225 HB2 ASN 30 HB2 ASN 30 -2.146 6.470 5.116 226 HB3 ASN 30 HB3 ASN 30 -3.325 5.174 4.948 227 HD21 ASN 30 HD21 ASN 30 -1.108 4.027 4.534 228 HD22 ASN 30 HD22 ASN 30 -0.611 4.037 2.846 229 H GLY 31 H GLY 31 -3.753 7.841 1.483 230 HA2 GLY 31 HA2 GLY 31 -3.452 9.991 0.581 231 HA3 GLY 31 HA3 GLY 31 -2.702 10.554 2.064 232 H VAL 32 H VAL 32 -1.202 7.644 1.226 233 HA VAL 32 HA VAL 32 0.976 9.002 -0.331 234 HB VAL 32 HB VAL 32 1.955 8.351 1.602 235 HG11 VAL 32 HG11 VAL 32 0.335 6.918 2.674 236 HG12 VAL 32 HG12 VAL 32 0.615 5.632 1.467 237 HG13 VAL 32 HG13 VAL 32 1.876 6.076 2.640 238 HG21 VAL 32 HG21 VAL 32 3.619 6.777 1.203 239 HG22 VAL 32 HG22 VAL 32 2.665 5.953 -0.037 240 HG23 VAL 32 HG23 VAL 32 3.287 7.615 -0.311 241 H SER 33 H SER 33 2.158 7.488 -1.846 242 HA SER 33 HA SER 33 0.278 5.838 -3.443 243 HB2 SER 33 HB2 SER 33 2.314 6.334 -5.101 244 HB3 SER 33 HB3 SER 33 0.883 7.357 -4.968 245 HG SER 33 HG SER 33 2.045 8.854 -3.863 246 H ILE 34 H ILE 34 0.985 3.846 -4.284 247 HA ILE 34 HA ILE 34 2.805 2.349 -2.731 248 HB ILE 34 HB ILE 34 2.127 0.584 -3.939 249 HG12 ILE 34 HG12 ILE 34 0.584 0.924 -6.102 250 HG13 ILE 34 HG13 ILE 34 1.617 2.327 -6.322 251 HG21 ILE 34 HG21 ILE 34 -0.247 0.576 -3.897 252 HG22 ILE 34 HG22 ILE 34 0.331 1.652 -2.614 253 HG23 ILE 34 HG23 ILE 34 -0.330 2.327 -4.121 254 HD11 ILE 34 HD11 ILE 34 3.619 0.762 -6.242 255 HD12 ILE 34 HD12 ILE 34 2.502 -0.595 -6.015 256 HD13 ILE 34 HD13 ILE 34 2.474 0.338 -7.524 257 H LYS 35 H LYS 35 4.898 2.116 -2.888 258 HA LYS 35 HA LYS 35 6.450 3.380 -5.050 259 HB2 LYS 35 HB2 LYS 35 7.019 3.376 -2.519 260 HB3 LYS 35 HB3 LYS 35 7.501 1.700 -2.737 261 HG2 LYS 35 HG2 LYS 35 9.455 3.089 -2.835 262 HG3 LYS 35 HG3 LYS 35 9.179 2.461 -4.463 263 HD2 LYS 35 HD2 LYS 35 8.215 4.619 -5.166 264 HD3 LYS 35 HD3 LYS 35 8.302 5.228 -3.501 265 HE2 LYS 35 HE2 LYS 35 10.764 5.045 -3.555 266 HE3 LYS 35 HE3 LYS 35 10.692 4.393 -5.198 267 HZ1 LYS 35 HZ1 LYS 35 11.146 6.788 -5.198 268 HZ2 LYS 35 HZ2 LYS 35 9.754 7.103 -4.408 269 HZ3 LYS 35 HZ3 LYS 35 9.715 6.501 -5.927 270 H SER 36 H SER 36 5.655 0.135 -3.921 271 HA SER 36 HA SER 36 5.912 -0.949 -6.605 272 HB2 SER 36 HB2 SER 36 7.473 -2.828 -5.920 273 HB3 SER 36 HB3 SER 36 8.210 -1.248 -6.136 274 HG SER 36 HG SER 36 8.916 -2.320 -4.213 275 H GLU 37 H GLU 37 5.267 -3.228 -6.764 276 HA GLU 37 HA GLU 37 3.114 -3.955 -4.945 277 HB2 GLU 37 HB2 GLU 37 2.858 -5.845 -6.513 278 HB3 GLU 37 HB3 GLU 37 2.682 -4.266 -7.251 279 HG2 GLU 37 HG2 GLU 37 4.935 -4.454 -8.247 280 HG3 GLU 37 HG3 GLU 37 5.208 -5.980 -7.405 281 H GLY 38 H GLY 38 2.979 -5.841 -3.778 282 HA2 GLY 38 HA2 GLY 38 3.684 -7.647 -2.516 283 HA3 GLY 38 HA3 GLY 38 5.313 -7.536 -3.197 284 H SER 39 H SER 39 4.683 -7.806 -0.447 285 HA SER 39 HA SER 39 5.191 -5.384 1.051 286 HB2 SER 39 HB2 SER 39 6.077 -7.023 2.766 287 HB3 SER 39 HB3 SER 39 4.403 -7.245 2.251 288 HG SER 39 HG SER 39 5.594 -9.232 2.337 289 H CYS 40 H CYS 40 7.111 -4.546 1.823 290 HA CYS 40 HA CYS 40 9.445 -5.122 0.095 291 HB2 CYS 40 HB2 CYS 40 10.335 -2.953 1.225 292 HB3 CYS 40 HB3 CYS 40 9.176 -2.956 -0.079 293 HA PRO 41 HA PRO 41 11.977 -6.957 3.214 294 HB2 PRO 41 HB2 PRO 41 14.493 -6.283 2.378 295 HB3 PRO 41 HB3 PRO 41 13.436 -7.402 1.466 296 HG2 PRO 41 HG2 PRO 41 13.847 -4.431 0.984 297 HG3 PRO 41 HG3 PRO 41 13.921 -5.767 -0.212 298 HD2 PRO 41 HD2 PRO 41 11.646 -4.271 0.126 299 HD3 PRO 41 HD3 PRO 41 11.567 -6.013 -0.214 300 H THR 42 H THR 42 13.260 -6.502 5.058 301 HA THR 42 HA THR 42 13.620 -3.652 5.876 302 HB THR 42 HB THR 42 12.862 -4.399 8.148 303 HG1 THR 42 HG1 THR 42 11.422 -6.150 8.185 304 HG21 THR 42 HG21 THR 42 10.486 -4.047 7.664 305 HG22 THR 42 HG22 THR 42 10.747 -4.432 5.950 306 HG23 THR 42 HG23 THR 42 11.475 -2.974 6.660 307 H GLY 43 H GLY 43 15.752 -4.016 5.236 308 HA2 GLY 43 HA2 GLY 43 17.583 -4.696 7.390 309 HA3 GLY 43 HA3 GLY 43 17.550 -5.964 6.166 310 H ILE 44 H ILE 44 17.181 -2.551 5.330 311 HA ILE 44 HA ILE 44 19.925 -2.358 4.251 312 HB ILE 44 HB ILE 44 18.506 -3.335 2.490 313 HG12 ILE 44 HG12 ILE 44 19.439 -0.522 1.794 314 HG13 ILE 44 HG13 ILE 44 20.512 -1.903 2.048 315 HG21 ILE 44 HG21 ILE 44 16.343 -2.215 3.092 316 HG22 ILE 44 HG22 ILE 44 16.994 -0.682 2.477 317 HG23 ILE 44 HG23 ILE 44 16.744 -2.057 1.386 318 HD11 ILE 44 HD11 ILE 44 18.409 -1.660 -0.139 319 HD12 ILE 44 HD12 ILE 44 20.167 -1.605 -0.322 320 HD13 ILE 44 HD13 ILE 44 19.385 -3.115 0.181 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -23.561 -2.245 9.818 2 H2 LYS 1 H2 LYS 1 -22.256 -2.832 10.599 3 H3 LYS 1 H3 LYS 1 -22.661 -1.253 10.755 4 HA LYS 1 HA LYS 1 -21.738 -2.555 8.271 5 HB2 LYS 1 HB2 LYS 1 -23.450 -0.697 7.980 6 HB3 LYS 1 HB3 LYS 1 -22.311 0.404 8.733 7 HG2 LYS 1 HG2 LYS 1 -22.020 0.756 6.429 8 HG3 LYS 1 HG3 LYS 1 -20.646 -0.222 6.898 9 HD2 LYS 1 HD2 LYS 1 -21.212 -1.296 4.985 10 HD3 LYS 1 HD3 LYS 1 -22.202 -2.257 6.067 11 HE2 LYS 1 HE2 LYS 1 -23.169 0.169 4.463 12 HE3 LYS 1 HE3 LYS 1 -23.270 -1.493 3.893 13 HZ1 LYS 1 HZ1 LYS 1 -24.691 -0.420 6.268 14 HZ2 LYS 1 HZ2 LYS 1 -24.722 -1.995 5.798 15 HZ3 LYS 1 HZ3 LYS 1 -25.358 -0.839 4.850 16 H LYS 2 H LYS 2 -19.680 -3.132 8.609 17 HA LYS 2 HA LYS 2 -17.756 -1.286 10.011 18 HB2 LYS 2 HB2 LYS 2 -18.173 -4.277 10.408 19 HB3 LYS 2 HB3 LYS 2 -16.770 -3.392 11.008 20 HG2 LYS 2 HG2 LYS 2 -18.223 -1.907 12.337 21 HG3 LYS 2 HG3 LYS 2 -19.647 -2.827 11.814 22 HD2 LYS 2 HD2 LYS 2 -18.732 -4.876 12.818 23 HD3 LYS 2 HD3 LYS 2 -17.287 -4.011 13.350 24 HE2 LYS 2 HE2 LYS 2 -20.135 -3.309 14.208 25 HE3 LYS 2 HE3 LYS 2 -19.073 -4.388 15.113 26 HZ1 LYS 2 HZ1 LYS 2 -18.485 -1.530 14.553 27 HZ2 LYS 2 HZ2 LYS 2 -17.501 -2.550 15.371 28 HZ3 LYS 2 HZ3 LYS 2 -18.952 -2.143 15.990 29 H VAL 3 H VAL 3 -18.252 -2.265 7.037 30 HA VAL 3 HA VAL 3 -15.423 -3.068 6.442 31 HB VAL 3 HB VAL 3 -17.867 -3.732 4.775 32 HG11 VAL 3 HG11 VAL 3 -15.768 -3.717 3.487 33 HG12 VAL 3 HG12 VAL 3 -14.989 -4.754 4.703 34 HG13 VAL 3 HG13 VAL 3 -16.329 -5.370 3.712 35 HG21 VAL 3 HG21 VAL 3 -16.356 -5.478 6.772 36 HG22 VAL 3 HG22 VAL 3 -18.058 -4.976 6.882 37 HG23 VAL 3 HG23 VAL 3 -17.554 -6.071 5.598 38 H CYS 4 H CYS 4 -14.275 -1.880 5.102 39 HA CYS 4 HA CYS 4 -15.149 0.744 4.234 40 HB2 CYS 4 HB2 CYS 4 -12.611 -0.831 3.639 41 HB3 CYS 4 HB3 CYS 4 -12.839 0.893 3.356 42 H ALA 5 H ALA 5 -14.715 1.547 1.970 43 HA ALA 5 HA ALA 5 -16.100 0.013 -0.050 44 HB1 ALA 5 HB1 ALA 5 -16.160 2.478 0.077 45 HB2 ALA 5 HB2 ALA 5 -14.414 2.547 -0.270 46 HB3 ALA 5 HB3 ALA 5 -15.545 1.929 -1.492 47 H CYS 6 H CYS 6 -12.663 0.284 0.786 48 HA CYS 6 HA CYS 6 -11.564 -0.740 -1.620 49 HB2 CYS 6 HB2 CYS 6 -10.708 -0.365 1.262 50 HB3 CYS 6 HB3 CYS 6 -9.707 -1.302 0.192 51 HA PRO 7 HA PRO 7 -12.336 -5.075 -1.182 52 HB2 PRO 7 HB2 PRO 7 -10.380 -6.193 -2.674 53 HB3 PRO 7 HB3 PRO 7 -11.577 -5.076 -3.393 54 HG2 PRO 7 HG2 PRO 7 -8.760 -4.438 -2.467 55 HG3 PRO 7 HG3 PRO 7 -9.539 -3.990 -4.015 56 HD2 PRO 7 HD2 PRO 7 -9.393 -2.354 -1.787 57 HD3 PRO 7 HD3 PRO 7 -10.697 -2.219 -2.992 58 H LYS 8 H LYS 8 -11.322 -7.206 -0.590 59 HA LYS 8 HA LYS 8 -9.393 -6.958 1.655 60 HB2 LYS 8 HB2 LYS 8 -11.853 -7.106 2.161 61 HB3 LYS 8 HB3 LYS 8 -11.877 -8.722 1.452 62 HG2 LYS 8 HG2 LYS 8 -10.507 -9.606 3.152 63 HG3 LYS 8 HG3 LYS 8 -9.946 -8.011 3.675 64 HD2 LYS 8 HD2 LYS 8 -12.822 -8.986 3.985 65 HD3 LYS 8 HD3 LYS 8 -11.568 -9.211 5.214 66 HE2 LYS 8 HE2 LYS 8 -11.198 -6.727 5.252 67 HE3 LYS 8 HE3 LYS 8 -12.567 -6.533 4.148 68 HZ1 LYS 8 HZ1 LYS 8 -13.233 -6.261 6.479 69 HZ2 LYS 8 HZ2 LYS 8 -12.716 -7.758 6.856 70 HZ3 LYS 8 HZ3 LYS 8 -13.986 -7.569 5.846 71 H ILE 9 H ILE 9 -9.030 -7.956 -1.302 72 HA ILE 9 HA ILE 9 -8.182 -10.634 -1.176 73 HB ILE 9 HB ILE 9 -7.235 -10.246 -3.201 74 HG12 ILE 9 HG12 ILE 9 -5.721 -8.416 -2.882 75 HG13 ILE 9 HG13 ILE 9 -6.660 -8.209 -4.340 76 HG21 ILE 9 HG21 ILE 9 -9.574 -8.341 -3.239 77 HG22 ILE 9 HG22 ILE 9 -8.895 -9.239 -4.604 78 HG23 ILE 9 HG23 ILE 9 -9.654 -10.114 -3.265 79 HD11 ILE 9 HD11 ILE 9 -7.169 -6.724 -1.723 80 HD12 ILE 9 HD12 ILE 9 -6.360 -6.085 -3.163 81 HD13 ILE 9 HD13 ILE 9 -8.071 -6.525 -3.250 82 H LEU 10 H LEU 10 -5.949 -11.344 -1.402 83 HA LEU 10 HA LEU 10 -4.172 -10.060 0.614 84 HB2 LEU 10 HB2 LEU 10 -5.078 -12.504 0.648 85 HB3 LEU 10 HB3 LEU 10 -3.827 -12.847 -0.532 86 HG LEU 10 HG LEU 10 -3.415 -11.672 2.264 87 HD11 LEU 10 HD11 LEU 10 -4.212 -14.009 2.283 88 HD12 LEU 10 HD12 LEU 10 -2.537 -13.894 2.841 89 HD13 LEU 10 HD13 LEU 10 -2.886 -14.477 1.196 90 HD21 LEU 10 HD21 LEU 10 -1.551 -11.003 0.830 91 HD22 LEU 10 HD22 LEU 10 -1.359 -12.672 0.246 92 HD23 LEU 10 HD23 LEU 10 -1.018 -12.262 1.943 93 H LYS 11 H LYS 11 -3.634 -8.332 -0.934 94 HA LYS 11 HA LYS 11 -1.283 -9.074 -2.601 95 HB2 LYS 11 HB2 LYS 11 -3.267 -9.093 -4.079 96 HB3 LYS 11 HB3 LYS 11 -3.591 -7.407 -3.673 97 HG2 LYS 11 HG2 LYS 11 -1.507 -6.694 -4.710 98 HG3 LYS 11 HG3 LYS 11 -0.975 -8.359 -4.936 99 HD2 LYS 11 HD2 LYS 11 -3.532 -7.260 -6.179 100 HD3 LYS 11 HD3 LYS 11 -1.975 -7.066 -6.965 101 HE2 LYS 11 HE2 LYS 11 -3.131 -9.779 -6.192 102 HE3 LYS 11 HE3 LYS 11 -3.366 -9.017 -7.767 103 HZ1 LYS 11 HZ1 LYS 11 -0.725 -9.756 -6.626 104 HZ2 LYS 11 HZ2 LYS 11 -0.946 -9.002 -8.060 105 HZ3 LYS 11 HZ3 LYS 11 -1.490 -10.526 -7.845 106 HA PRO 12 HA PRO 12 -0.639 -5.356 0.080 107 HB2 PRO 12 HB2 PRO 12 1.618 -6.182 1.415 108 HB3 PRO 12 HB3 PRO 12 -0.045 -6.600 1.922 109 HG2 PRO 12 HG2 PRO 12 1.891 -8.284 0.326 110 HG3 PRO 12 HG3 PRO 12 0.853 -8.758 1.718 111 HD2 PRO 12 HD2 PRO 12 0.152 -9.235 -0.893 112 HD3 PRO 12 HD3 PRO 12 -1.057 -8.873 0.374 113 H VAL 13 H VAL 13 1.252 -3.974 0.229 114 HA VAL 13 HA VAL 13 3.002 -3.855 -2.183 115 HB VAL 13 HB VAL 13 2.337 -1.483 -2.437 116 HG11 VAL 13 HG11 VAL 13 -0.076 -3.332 -2.584 117 HG12 VAL 13 HG12 VAL 13 0.218 -1.859 -3.525 118 HG13 VAL 13 HG13 VAL 13 1.241 -3.275 -3.770 119 HG21 VAL 13 HG21 VAL 13 1.527 -0.992 -0.146 120 HG22 VAL 13 HG22 VAL 13 0.301 -0.616 -1.357 121 HG23 VAL 13 HG23 VAL 13 0.145 -2.085 -0.391 122 H CYS 14 H CYS 14 4.635 -2.080 -2.021 123 HA CYS 14 HA CYS 14 5.398 -1.425 0.807 124 HB2 CYS 14 HB2 CYS 14 7.097 -2.810 -0.550 125 HB3 CYS 14 HB3 CYS 14 7.287 -1.379 -1.560 126 H GLY 15 H GLY 15 4.594 0.544 1.272 127 HA2 GLY 15 HA2 GLY 15 3.952 2.579 -0.690 128 HA3 GLY 15 HA3 GLY 15 3.936 2.751 1.051 129 H SER 16 H SER 16 4.818 4.693 -0.883 130 HA SER 16 HA SER 16 7.686 4.871 -0.997 131 HB2 SER 16 HB2 SER 16 5.942 6.003 -2.470 132 HB3 SER 16 HB3 SER 16 5.728 7.184 -1.165 133 HG SER 16 HG SER 16 8.025 7.601 -1.349 134 H ASP 17 H ASP 17 5.602 5.425 1.651 135 HA ASP 17 HA ASP 17 7.396 7.178 3.184 136 HB2 ASP 17 HB2 ASP 17 5.787 6.970 4.919 137 HB3 ASP 17 HB3 ASP 17 4.919 7.246 3.418 138 H GLY 18 H GLY 18 7.469 3.922 2.305 139 HA2 GLY 18 HA2 GLY 18 9.123 2.372 2.886 140 HA3 GLY 18 HA3 GLY 18 9.462 3.241 4.378 141 H ARG 19 H ARG 19 6.094 2.777 4.100 142 HA ARG 19 HA ARG 19 6.206 0.447 5.976 143 HB2 ARG 19 HB2 ARG 19 5.252 2.706 6.668 144 HB3 ARG 19 HB3 ARG 19 3.899 2.391 5.577 145 HG2 ARG 19 HG2 ARG 19 3.084 0.619 6.930 146 HG3 ARG 19 HG3 ARG 19 4.657 0.369 7.703 147 HD2 ARG 19 HD2 ARG 19 3.177 1.342 9.304 148 HD3 ARG 19 HD3 ARG 19 4.437 2.517 8.901 149 HE ARG 19 HE ARG 19 2.256 3.092 7.202 150 HH11 ARG 19 HH11 ARG 19 2.812 3.208 10.651 151 HH12 ARG 19 HH12 ARG 19 1.571 4.409 10.892 152 HH21 ARG 19 HH21 ARG 19 0.760 4.566 7.539 153 HH22 ARG 19 HH22 ARG 19 0.412 5.183 9.143 154 H THR 20 H THR 20 4.257 -0.957 5.917 155 HA THR 20 HA THR 20 3.509 -1.740 3.113 156 HB THR 20 HB THR 20 4.306 -3.470 5.479 157 HG1 THR 20 HG1 THR 20 5.234 -3.188 2.816 158 HG21 THR 20 HG21 THR 20 3.912 -5.430 4.054 159 HG22 THR 20 HG22 THR 20 3.161 -4.412 2.810 160 HG23 THR 20 HG23 THR 20 2.400 -4.605 4.406 161 H TYR 21 H TYR 21 1.426 -2.065 2.697 162 HA TYR 21 HA TYR 21 -0.541 -2.233 4.930 163 HB2 TYR 21 HB2 TYR 21 -0.804 -0.806 2.256 164 HB3 TYR 21 HB3 TYR 21 -2.017 -0.894 3.515 165 HD1 TYR 21 HD1 TYR 21 -1.556 0.209 5.786 166 HD2 TYR 21 HD2 TYR 21 0.933 0.872 2.319 167 HE1 TYR 21 HE1 TYR 21 -0.647 2.288 6.822 168 HE2 TYR 21 HE2 TYR 21 1.835 2.941 3.362 169 HH TYR 21 HH TYR 21 1.919 4.246 5.233 170 H ALA 22 H ALA 22 -2.463 -3.362 4.423 171 HA ALA 22 HA ALA 22 -2.087 -5.924 3.395 172 HB1 ALA 22 HB1 ALA 22 -3.841 -5.232 5.028 173 HB2 ALA 22 HB2 ALA 22 -4.704 -4.368 3.725 174 HB3 ALA 22 HB3 ALA 22 -4.544 -6.131 3.667 175 H ASN 23 H ASN 23 -3.199 -3.061 1.564 176 HA ASN 23 HA ASN 23 -2.718 -4.439 -0.863 177 HB2 ASN 23 HB2 ASN 23 -5.130 -3.593 -1.670 178 HB3 ASN 23 HB3 ASN 23 -4.750 -5.260 -1.228 179 HD21 ASN 23 HD21 ASN 23 -7.258 -3.352 -1.179 180 HD22 ASN 23 HD22 ASN 23 -7.960 -3.933 0.334 181 H SER 24 H SER 24 -3.133 -3.022 -2.766 182 HA SER 24 HA SER 24 -1.891 -0.562 -2.367 183 HB2 SER 24 HB2 SER 24 -1.865 -1.789 -4.521 184 HB3 SER 24 HB3 SER 24 -3.589 -1.446 -4.744 185 HG SER 24 HG SER 24 -2.264 0.034 -5.889 186 H CYS 25 H CYS 25 -5.323 -1.175 -2.914 187 HA CYS 25 HA CYS 25 -6.488 1.335 -2.956 188 HB2 CYS 25 HB2 CYS 25 -7.473 -1.036 -3.033 189 HB3 CYS 25 HB3 CYS 25 -7.582 -0.960 -1.290 190 H ILE 26 H ILE 26 -5.590 -0.495 -0.218 191 HA ILE 26 HA ILE 26 -6.401 1.366 1.857 192 HB ILE 26 HB ILE 26 -4.397 -0.934 1.957 193 HG12 ILE 26 HG12 ILE 26 -6.588 -1.768 1.494 194 HG13 ILE 26 HG13 ILE 26 -6.115 -2.190 3.130 195 HG21 ILE 26 HG21 ILE 26 -3.829 0.521 3.773 196 HG22 ILE 26 HG22 ILE 26 -5.523 0.602 4.304 197 HG23 ILE 26 HG23 ILE 26 -4.616 -0.934 4.384 198 HD11 ILE 26 HD11 ILE 26 -8.487 -1.574 3.035 199 HD12 ILE 26 HD12 ILE 26 -7.607 -0.397 4.023 200 HD13 ILE 26 HD13 ILE 26 -8.092 0.012 2.358 201 H ALA 27 H ALA 27 -3.084 0.629 0.671 202 HA ALA 27 HA ALA 27 -1.703 2.650 1.987 203 HB1 ALA 27 HB1 ALA 27 -0.065 2.518 0.179 204 HB2 ALA 27 HB2 ALA 27 -0.690 0.897 0.548 205 HB3 ALA 27 HB3 ALA 27 -1.256 1.758 -0.894 206 H ARG 28 H ARG 28 -3.280 3.066 -1.217 207 HA ARG 28 HA ARG 28 -2.782 5.890 -1.406 208 HB2 ARG 28 HB2 ARG 28 -4.365 5.947 -3.213 209 HB3 ARG 28 HB3 ARG 28 -3.317 4.540 -3.365 210 HG2 ARG 28 HG2 ARG 28 -5.103 3.076 -2.510 211 HG3 ARG 28 HG3 ARG 28 -6.181 4.434 -2.278 212 HD2 ARG 28 HD2 ARG 28 -5.019 3.640 -4.980 213 HD3 ARG 28 HD3 ARG 28 -6.602 3.124 -4.369 214 HE ARG 28 HE ARG 28 -6.402 5.990 -4.251 215 HH11 ARG 28 HH11 ARG 28 -6.927 3.472 -6.620 216 HH12 ARG 28 HH12 ARG 28 -7.848 4.524 -7.662 217 HH21 ARG 28 HH21 ARG 28 -7.561 7.280 -5.618 218 HH22 ARG 28 HH22 ARG 28 -8.184 6.625 -7.101 219 H CYS 29 H CYS 29 -5.537 4.188 0.050 220 HA CYS 29 HA CYS 29 -7.157 6.483 0.553 221 HB2 CYS 29 HB2 CYS 29 -7.849 4.081 0.665 222 HB3 CYS 29 HB3 CYS 29 -6.970 3.918 2.177 223 H ASN 30 H ASN 30 -4.572 4.946 2.506 224 HA ASN 30 HA ASN 30 -4.678 6.726 4.739 225 HB2 ASN 30 HB2 ASN 30 -2.274 5.201 3.670 226 HB3 ASN 30 HB3 ASN 30 -2.584 5.713 5.310 227 HD21 ASN 30 HD21 ASN 30 -5.427 4.662 5.451 228 HD22 ASN 30 HD22 ASN 30 -5.164 2.917 5.395 229 H GLY 31 H GLY 31 -3.623 7.328 1.535 230 HA2 GLY 31 HA2 GLY 31 -3.294 9.548 0.804 231 HA3 GLY 31 HA3 GLY 31 -2.528 9.977 2.326 232 H VAL 32 H VAL 32 -1.095 7.040 1.370 233 HA VAL 32 HA VAL 32 1.201 8.428 0.118 234 HB VAL 32 HB VAL 32 2.428 6.470 1.082 235 HG11 VAL 32 HG11 VAL 32 2.548 8.713 2.072 236 HG12 VAL 32 HG12 VAL 32 1.092 8.382 3.037 237 HG13 VAL 32 HG13 VAL 32 2.583 7.477 3.341 238 HG21 VAL 32 HG21 VAL 32 0.548 4.943 1.615 239 HG22 VAL 32 HG22 VAL 32 1.576 5.290 3.009 240 HG23 VAL 32 HG23 VAL 32 0.002 6.082 2.869 241 H SER 33 H SER 33 2.052 7.690 -1.824 242 HA SER 33 HA SER 33 0.527 5.761 -3.355 243 HB2 SER 33 HB2 SER 33 2.637 6.239 -4.877 244 HB3 SER 33 HB3 SER 33 1.302 7.367 -4.739 245 HG SER 33 HG SER 33 3.898 7.490 -3.572 246 H ILE 34 H ILE 34 1.352 3.794 -4.225 247 HA ILE 34 HA ILE 34 3.165 2.334 -2.562 248 HB ILE 34 HB ILE 34 2.629 0.549 -3.815 249 HG12 ILE 34 HG12 ILE 34 1.296 2.103 -6.044 250 HG13 ILE 34 HG13 ILE 34 2.913 1.391 -6.139 251 HG21 ILE 34 HG21 ILE 34 0.043 2.129 -3.824 252 HG22 ILE 34 HG22 ILE 34 0.236 0.394 -3.600 253 HG23 ILE 34 HG23 ILE 34 0.834 1.501 -2.361 254 HD11 ILE 34 HD11 ILE 34 0.341 -0.167 -5.805 255 HD12 ILE 34 HD12 ILE 34 1.417 -0.120 -7.208 256 HD13 ILE 34 HD13 ILE 34 1.978 -0.861 -5.693 257 H LYS 35 H LYS 35 5.299 2.138 -2.795 258 HA LYS 35 HA LYS 35 6.696 3.467 -5.046 259 HB2 LYS 35 HB2 LYS 35 7.432 3.316 -2.503 260 HB3 LYS 35 HB3 LYS 35 8.073 1.749 -2.968 261 HG2 LYS 35 HG2 LYS 35 8.913 3.572 -5.014 262 HG3 LYS 35 HG3 LYS 35 9.065 4.467 -3.503 263 HD2 LYS 35 HD2 LYS 35 10.474 2.637 -2.575 264 HD3 LYS 35 HD3 LYS 35 10.286 1.737 -4.102 265 HE2 LYS 35 HE2 LYS 35 11.265 3.720 -5.321 266 HE3 LYS 35 HE3 LYS 35 11.572 4.486 -3.759 267 HZ1 LYS 35 HZ1 LYS 35 12.742 1.907 -4.668 268 HZ2 LYS 35 HZ2 LYS 35 13.019 2.588 -3.206 269 HZ3 LYS 35 HZ3 LYS 35 13.539 3.325 -4.565 270 H SER 36 H SER 36 5.986 0.219 -3.882 271 HA SER 36 HA SER 36 6.123 -0.832 -6.605 272 HB2 SER 36 HB2 SER 36 7.558 -2.793 -5.965 273 HB3 SER 36 HB3 SER 36 8.406 -1.260 -6.087 274 HG SER 36 HG SER 36 8.420 -1.100 -3.841 275 H GLU 37 H GLU 37 5.362 -3.008 -6.800 276 HA GLU 37 HA GLU 37 3.075 -3.702 -5.122 277 HB2 GLU 37 HB2 GLU 37 3.017 -3.889 -7.528 278 HB3 GLU 37 HB3 GLU 37 4.491 -4.879 -7.513 279 HG2 GLU 37 HG2 GLU 37 2.718 -6.258 -8.076 280 HG3 GLU 37 HG3 GLU 37 3.244 -6.707 -6.463 281 H GLY 38 H GLY 38 2.870 -5.603 -4.088 282 HA2 GLY 38 HA2 GLY 38 3.460 -7.509 -2.822 283 HA3 GLY 38 HA3 GLY 38 5.109 -7.421 -3.445 284 H SER 39 H SER 39 4.196 -7.804 -0.730 285 HA SER 39 HA SER 39 4.911 -5.559 0.959 286 HB2 SER 39 HB2 SER 39 3.892 -7.596 1.850 287 HB3 SER 39 HB3 SER 39 5.355 -8.525 1.443 288 HG SER 39 HG SER 39 6.439 -7.542 3.053 289 H CYS 40 H CYS 40 6.872 -5.035 1.898 290 HA CYS 40 HA CYS 40 9.236 -5.687 0.218 291 HB2 CYS 40 HB2 CYS 40 10.199 -3.544 1.231 292 HB3 CYS 40 HB3 CYS 40 9.003 -3.521 -0.036 293 HA PRO 41 HA PRO 41 11.520 -7.375 3.660 294 HB2 PRO 41 HB2 PRO 41 14.095 -6.876 2.915 295 HB3 PRO 41 HB3 PRO 41 13.047 -8.011 2.016 296 HG2 PRO 41 HG2 PRO 41 13.613 -5.098 1.361 297 HG3 PRO 41 HG3 PRO 41 13.710 -6.516 0.267 298 HD2 PRO 41 HD2 PRO 41 11.480 -4.912 0.368 299 HD3 PRO 41 HD3 PRO 41 11.353 -6.661 0.107 300 H THR 42 H THR 42 12.819 -6.753 5.505 301 HA THR 42 HA THR 42 12.585 -4.026 6.436 302 HB THR 42 HB THR 42 14.278 -5.242 8.245 303 HG1 THR 42 HG1 THR 42 14.351 -7.244 7.401 304 HG21 THR 42 HG21 THR 42 12.147 -4.158 8.770 305 HG22 THR 42 HG22 THR 42 12.257 -5.749 9.537 306 HG23 THR 42 HG23 THR 42 11.253 -5.536 8.082 307 H GLY 43 H GLY 43 14.690 -5.080 4.227 308 HA2 GLY 43 HA2 GLY 43 16.441 -3.771 3.292 309 HA3 GLY 43 HA3 GLY 43 16.730 -3.005 4.847 310 H ILE 44 H ILE 44 16.496 -6.261 5.415 311 HA ILE 44 HA ILE 44 19.442 -6.774 5.329 312 HB ILE 44 HB ILE 44 17.315 -8.112 7.038 313 HG12 ILE 44 HG12 ILE 44 17.538 -5.840 7.845 314 HG13 ILE 44 HG13 ILE 44 18.278 -6.956 8.970 315 HG21 ILE 44 HG21 ILE 44 20.355 -8.357 7.011 316 HG22 ILE 44 HG22 ILE 44 19.296 -9.026 8.273 317 HG23 ILE 44 HG23 ILE 44 19.169 -9.614 6.614 318 HD11 ILE 44 HD11 ILE 44 19.787 -5.180 6.998 319 HD12 ILE 44 HD12 ILE 44 19.622 -4.926 8.742 320 HD13 ILE 44 HD13 ILE 44 20.540 -6.317 8.145 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -12.386 13.411 2.062 2 H2 LYS 1 H2 LYS 1 -13.837 14.135 2.294 3 H3 LYS 1 H3 LYS 1 -13.241 13.112 3.421 4 HA LYS 1 HA LYS 1 -14.977 12.000 2.191 5 HB2 LYS 1 HB2 LYS 1 -13.242 12.769 -0.196 6 HB3 LYS 1 HB3 LYS 1 -14.389 11.431 -0.258 7 HG2 LYS 1 HG2 LYS 1 -16.243 12.939 0.351 8 HG3 LYS 1 HG3 LYS 1 -15.128 14.322 0.358 9 HD2 LYS 1 HD2 LYS 1 -14.597 13.951 -2.011 10 HD3 LYS 1 HD3 LYS 1 -15.632 12.521 -2.067 11 HE2 LYS 1 HE2 LYS 1 -16.620 15.337 -1.414 12 HE3 LYS 1 HE3 LYS 1 -16.619 14.642 -3.036 13 HZ1 LYS 1 HZ1 LYS 1 -18.079 12.863 -2.204 14 HZ2 LYS 1 HZ2 LYS 1 -18.769 14.326 -2.015 15 HZ3 LYS 1 HZ3 LYS 1 -18.138 13.558 -0.725 16 H LYS 2 H LYS 2 -14.931 9.775 1.812 17 HA LYS 2 HA LYS 2 -12.353 8.326 1.638 18 HB2 LYS 2 HB2 LYS 2 -14.553 7.607 3.636 19 HB3 LYS 2 HB3 LYS 2 -13.101 6.663 3.296 20 HG2 LYS 2 HG2 LYS 2 -11.713 8.633 4.102 21 HG3 LYS 2 HG3 LYS 2 -13.219 9.430 4.563 22 HD2 LYS 2 HD2 LYS 2 -12.411 8.462 6.558 23 HD3 LYS 2 HD3 LYS 2 -13.764 7.466 6.040 24 HE2 LYS 2 HE2 LYS 2 -12.057 5.988 6.807 25 HE3 LYS 2 HE3 LYS 2 -12.117 5.821 5.053 26 HZ1 LYS 2 HZ1 LYS 2 -10.134 7.461 6.552 27 HZ2 LYS 2 HZ2 LYS 2 -10.153 7.284 4.928 28 HZ3 LYS 2 HZ3 LYS 2 -9.830 6.005 5.890 29 H VAL 3 H VAL 3 -12.710 6.068 0.917 30 HA VAL 3 HA VAL 3 -14.605 5.874 -1.260 31 HB VAL 3 HB VAL 3 -13.637 3.685 -1.611 32 HG11 VAL 3 HG11 VAL 3 -11.432 5.666 -0.954 33 HG12 VAL 3 HG12 VAL 3 -11.361 4.311 -2.101 34 HG13 VAL 3 HG13 VAL 3 -12.430 5.684 -2.427 35 HG21 VAL 3 HG21 VAL 3 -11.828 2.771 -0.240 36 HG22 VAL 3 HG22 VAL 3 -12.046 4.064 0.954 37 HG23 VAL 3 HG23 VAL 3 -13.329 2.865 0.685 38 H CYS 4 H CYS 4 -15.985 3.890 -1.547 39 HA CYS 4 HA CYS 4 -17.935 3.586 0.530 40 HB2 CYS 4 HB2 CYS 4 -17.400 1.874 -1.930 41 HB3 CYS 4 HB3 CYS 4 -18.836 1.795 -0.914 42 H ALA 5 H ALA 5 -15.702 1.072 -0.747 43 HA ALA 5 HA ALA 5 -14.818 0.220 1.877 44 HB1 ALA 5 HB1 ALA 5 -15.692 -2.104 1.691 45 HB2 ALA 5 HB2 ALA 5 -17.012 -0.931 1.823 46 HB3 ALA 5 HB3 ALA 5 -16.617 -1.642 0.245 47 H CYS 6 H CYS 6 -12.647 -0.350 1.568 48 HA CYS 6 HA CYS 6 -11.575 -1.037 -1.005 49 HB2 CYS 6 HB2 CYS 6 -10.595 -0.853 1.863 50 HB3 CYS 6 HB3 CYS 6 -9.615 -1.635 0.661 51 HA PRO 7 HA PRO 7 -12.265 -5.398 -0.837 52 HB2 PRO 7 HB2 PRO 7 -10.282 -6.412 -2.392 53 HB3 PRO 7 HB3 PRO 7 -11.523 -5.302 -3.042 54 HG2 PRO 7 HG2 PRO 7 -8.715 -4.615 -2.122 55 HG3 PRO 7 HG3 PRO 7 -9.528 -4.138 -3.647 56 HD2 PRO 7 HD2 PRO 7 -9.421 -2.545 -1.406 57 HD3 PRO 7 HD3 PRO 7 -10.797 -2.474 -2.538 58 H LYS 8 H LYS 8 -11.396 -7.495 -0.187 59 HA LYS 8 HA LYS 8 -9.375 -7.346 1.992 60 HB2 LYS 8 HB2 LYS 8 -12.010 -7.773 2.303 61 HB3 LYS 8 HB3 LYS 8 -11.531 -9.446 1.986 62 HG2 LYS 8 HG2 LYS 8 -9.783 -9.180 3.817 63 HG3 LYS 8 HG3 LYS 8 -10.385 -7.543 4.068 64 HD2 LYS 8 HD2 LYS 8 -11.664 -8.485 5.685 65 HD3 LYS 8 HD3 LYS 8 -12.731 -8.855 4.344 66 HE2 LYS 8 HE2 LYS 8 -12.576 -10.839 5.610 67 HE3 LYS 8 HE3 LYS 8 -11.598 -11.131 4.169 68 HZ1 LYS 8 HZ1 LYS 8 -10.544 -10.363 6.847 69 HZ2 LYS 8 HZ2 LYS 8 -9.615 -10.644 5.532 70 HZ3 LYS 8 HZ3 LYS 8 -10.472 -11.855 6.206 71 H ILE 9 H ILE 9 -8.790 -7.971 -0.848 72 HA ILE 9 HA ILE 9 -7.942 -10.644 -1.196 73 HB ILE 9 HB ILE 9 -6.508 -9.550 -2.874 74 HG12 ILE 9 HG12 ILE 9 -7.664 -6.878 -2.016 75 HG13 ILE 9 HG13 ILE 9 -6.043 -7.438 -1.604 76 HG21 ILE 9 HG21 ILE 9 -8.285 -8.868 -4.365 77 HG22 ILE 9 HG22 ILE 9 -8.849 -10.198 -3.355 78 HG23 ILE 9 HG23 ILE 9 -9.366 -8.538 -2.999 79 HD11 ILE 9 HD11 ILE 9 -5.479 -7.599 -4.024 80 HD12 ILE 9 HD12 ILE 9 -7.077 -6.916 -4.415 81 HD13 ILE 9 HD13 ILE 9 -5.905 -5.957 -3.505 82 H LEU 10 H LEU 10 -5.519 -11.048 -1.521 83 HA LEU 10 HA LEU 10 -3.909 -10.050 0.798 84 HB2 LEU 10 HB2 LEU 10 -4.985 -12.430 0.886 85 HB3 LEU 10 HB3 LEU 10 -3.718 -12.893 -0.235 86 HG LEU 10 HG LEU 10 -3.373 -11.693 2.556 87 HD11 LEU 10 HD11 LEU 10 -2.814 -14.496 1.499 88 HD12 LEU 10 HD12 LEU 10 -4.192 -14.027 2.519 89 HD13 LEU 10 HD13 LEU 10 -2.545 -13.926 3.162 90 HD21 LEU 10 HD21 LEU 10 -1.440 -11.031 1.227 91 HD22 LEU 10 HD22 LEU 10 -1.236 -12.693 0.626 92 HD23 LEU 10 HD23 LEU 10 -0.970 -12.311 2.343 93 H LYS 11 H LYS 11 -3.236 -8.420 -0.782 94 HA LYS 11 HA LYS 11 -0.859 -9.338 -2.303 95 HB2 LYS 11 HB2 LYS 11 -2.893 -9.258 -3.854 96 HB3 LYS 11 HB3 LYS 11 -2.927 -7.515 -3.595 97 HG2 LYS 11 HG2 LYS 11 -0.464 -7.505 -4.394 98 HG3 LYS 11 HG3 LYS 11 -0.710 -9.204 -4.834 99 HD2 LYS 11 HD2 LYS 11 -2.721 -8.405 -6.222 100 HD3 LYS 11 HD3 LYS 11 -2.158 -6.755 -5.945 101 HE2 LYS 11 HE2 LYS 11 -0.644 -9.009 -7.346 102 HE3 LYS 11 HE3 LYS 11 -1.434 -7.643 -8.132 103 HZ1 LYS 11 HZ1 LYS 11 0.890 -7.429 -6.297 104 HZ2 LYS 11 HZ2 LYS 11 0.145 -6.159 -7.026 105 HZ3 LYS 11 HZ3 LYS 11 0.941 -7.271 -7.918 106 HA PRO 12 HA PRO 12 -0.374 -5.552 0.296 107 HB2 PRO 12 HB2 PRO 12 1.899 -6.235 1.681 108 HB3 PRO 12 HB3 PRO 12 0.254 -6.740 2.170 109 HG2 PRO 12 HG2 PRO 12 2.293 -8.293 0.579 110 HG3 PRO 12 HG3 PRO 12 1.311 -8.843 1.985 111 HD2 PRO 12 HD2 PRO 12 0.595 -9.403 -0.593 112 HD3 PRO 12 HD3 PRO 12 -0.631 -9.042 0.659 113 H VAL 13 H VAL 13 1.277 -3.960 0.341 114 HA VAL 13 HA VAL 13 3.169 -3.935 -1.965 115 HB VAL 13 HB VAL 13 2.181 -1.945 -2.925 116 HG11 VAL 13 HG11 VAL 13 0.202 -2.922 -3.966 117 HG12 VAL 13 HG12 VAL 13 1.423 -4.186 -3.732 118 HG13 VAL 13 HG13 VAL 13 0.025 -4.071 -2.648 119 HG21 VAL 13 HG21 VAL 13 -0.104 -2.234 -0.930 120 HG22 VAL 13 HG22 VAL 13 1.073 -0.902 -1.004 121 HG23 VAL 13 HG23 VAL 13 -0.058 -1.139 -2.331 122 H CYS 14 H CYS 14 4.679 -2.302 -1.961 123 HA CYS 14 HA CYS 14 5.246 -1.111 0.700 124 HB2 CYS 14 HB2 CYS 14 6.978 -2.468 -0.626 125 HB3 CYS 14 HB3 CYS 14 7.038 -1.111 -1.742 126 H GLY 15 H GLY 15 4.609 0.929 1.068 127 HA2 GLY 15 HA2 GLY 15 3.881 2.774 -1.108 128 HA3 GLY 15 HA3 GLY 15 3.789 3.109 0.612 129 H SER 16 H SER 16 4.752 5.029 -1.154 130 HA SER 16 HA SER 16 7.616 5.060 -1.380 131 HB2 SER 16 HB2 SER 16 7.362 7.451 -1.870 132 HB3 SER 16 HB3 SER 16 6.232 6.445 -2.791 133 HG SER 16 HG SER 16 5.250 8.327 -1.859 134 H ASP 17 H ASP 17 5.637 5.672 1.364 135 HA ASP 17 HA ASP 17 7.549 7.074 3.035 136 HB2 ASP 17 HB2 ASP 17 5.106 6.962 3.448 137 HB3 ASP 17 HB3 ASP 17 5.233 5.227 3.743 138 H GLY 18 H GLY 18 7.487 3.819 1.870 139 HA2 GLY 18 HA2 GLY 18 9.170 2.226 2.099 140 HA3 GLY 18 HA3 GLY 18 9.773 3.011 3.553 141 H ARG 19 H ARG 19 6.563 2.786 4.124 142 HA ARG 19 HA ARG 19 6.685 0.214 5.603 143 HB2 ARG 19 HB2 ARG 19 5.751 2.322 6.590 144 HB3 ARG 19 HB3 ARG 19 4.428 2.253 5.415 145 HG2 ARG 19 HG2 ARG 19 3.522 0.278 6.421 146 HG3 ARG 19 HG3 ARG 19 4.990 0.010 7.389 147 HD2 ARG 19 HD2 ARG 19 4.514 2.043 8.703 148 HD3 ARG 19 HD3 ARG 19 3.129 2.403 7.676 149 HE ARG 19 HE ARG 19 1.847 0.854 8.805 150 HH11 ARG 19 HH11 ARG 19 5.152 0.216 9.787 151 HH12 ARG 19 HH12 ARG 19 4.652 -0.918 11.011 152 HH21 ARG 19 HH21 ARG 19 1.290 -0.574 10.384 153 HH22 ARG 19 HH22 ARG 19 2.523 -1.342 11.336 154 H THR 20 H THR 20 4.903 -1.241 5.439 155 HA THR 20 HA THR 20 3.878 -1.718 2.655 156 HB THR 20 HB THR 20 4.582 -3.751 4.803 157 HG1 THR 20 HG1 THR 20 6.325 -2.891 3.595 158 HG21 THR 20 HG21 THR 20 3.452 -4.197 2.009 159 HG22 THR 20 HG22 THR 20 2.636 -4.580 3.546 160 HG23 THR 20 HG23 THR 20 4.085 -5.457 3.089 161 H TYR 21 H TYR 21 1.658 -1.881 2.367 162 HA TYR 21 HA TYR 21 -0.070 -2.205 4.747 163 HB2 TYR 21 HB2 TYR 21 -0.732 -0.813 2.147 164 HB3 TYR 21 HB3 TYR 21 -1.599 -0.793 3.675 165 HD1 TYR 21 HD1 TYR 21 1.250 0.616 1.810 166 HD2 TYR 21 HD2 TYR 21 -0.999 0.726 5.495 167 HE1 TYR 21 HE1 TYR 21 2.312 2.785 2.395 168 HE2 TYR 21 HE2 TYR 21 0.089 2.899 6.078 169 HH TYR 21 HH TYR 21 2.471 4.469 3.926 170 H ALA 22 H ALA 22 -2.247 -3.165 4.085 171 HA ALA 22 HA ALA 22 -1.691 -5.809 3.226 172 HB1 ALA 22 HB1 ALA 22 -4.402 -4.455 3.635 173 HB2 ALA 22 HB2 ALA 22 -4.075 -6.197 3.660 174 HB3 ALA 22 HB3 ALA 22 -3.393 -5.160 4.925 175 H ASN 23 H ASN 23 -3.052 -3.145 1.350 176 HA ASN 23 HA ASN 23 -2.558 -4.472 -1.100 177 HB2 ASN 23 HB2 ASN 23 -5.094 -3.873 -1.837 178 HB3 ASN 23 HB3 ASN 23 -4.507 -5.477 -1.436 179 HD21 ASN 23 HD21 ASN 23 -6.632 -2.849 -0.321 180 HD22 ASN 23 HD22 ASN 23 -7.374 -3.893 0.892 181 H SER 24 H SER 24 -3.366 -2.956 -2.990 182 HA SER 24 HA SER 24 -2.161 -0.492 -2.537 183 HB2 SER 24 HB2 SER 24 -3.019 0.115 -4.834 184 HB3 SER 24 HB3 SER 24 -2.193 -1.454 -4.747 185 HG SER 24 HG SER 24 -4.190 -1.589 -5.892 186 H CYS 25 H CYS 25 -5.585 -1.180 -2.721 187 HA CYS 25 HA CYS 25 -6.755 1.343 -2.546 188 HB2 CYS 25 HB2 CYS 25 -7.763 -0.994 -2.718 189 HB3 CYS 25 HB3 CYS 25 -7.731 -1.070 -0.979 190 H ILE 26 H ILE 26 -5.672 -0.631 0.035 191 HA ILE 26 HA ILE 26 -6.539 1.168 2.175 192 HB ILE 26 HB ILE 26 -5.928 -1.493 2.258 193 HG12 ILE 26 HG12 ILE 26 -5.840 -1.287 4.778 194 HG13 ILE 26 HG13 ILE 26 -5.717 0.455 4.598 195 HG21 ILE 26 HG21 ILE 26 -3.618 -0.296 3.722 196 HG22 ILE 26 HG22 ILE 26 -4.058 -2.009 3.568 197 HG23 ILE 26 HG23 ILE 26 -3.483 -1.134 2.149 198 HD11 ILE 26 HD11 ILE 26 -8.085 -1.269 3.682 199 HD12 ILE 26 HD12 ILE 26 -8.033 -0.294 5.162 200 HD13 ILE 26 HD13 ILE 26 -8.016 0.504 3.586 201 H ALA 27 H ALA 27 -3.419 0.515 0.714 202 HA ALA 27 HA ALA 27 -1.795 2.338 2.133 203 HB1 ALA 27 HB1 ALA 27 -0.979 0.712 0.418 204 HB2 ALA 27 HB2 ALA 27 -1.634 1.750 -0.859 205 HB3 ALA 27 HB3 ALA 27 -0.337 2.350 0.185 206 H ARG 28 H ARG 28 -3.587 3.060 -0.899 207 HA ARG 28 HA ARG 28 -3.106 5.879 -0.863 208 HB2 ARG 28 HB2 ARG 28 -4.843 6.096 -2.511 209 HB3 ARG 28 HB3 ARG 28 -3.784 4.740 -2.893 210 HG2 ARG 28 HG2 ARG 28 -5.454 3.136 -2.110 211 HG3 ARG 28 HG3 ARG 28 -6.516 4.424 -1.569 212 HD2 ARG 28 HD2 ARG 28 -5.716 3.846 -4.443 213 HD3 ARG 28 HD3 ARG 28 -7.277 3.488 -3.710 214 HE ARG 28 HE ARG 28 -6.420 5.997 -4.826 215 HH11 ARG 28 HH11 ARG 28 -8.525 4.829 -2.285 216 HH12 ARG 28 HH12 ARG 28 -9.441 6.312 -2.256 217 HH21 ARG 28 HH21 ARG 28 -7.621 7.838 -4.733 218 HH22 ARG 28 HH22 ARG 28 -8.945 7.958 -3.618 219 H CYS 29 H CYS 29 -5.746 4.055 0.659 220 HA CYS 29 HA CYS 29 -7.147 6.410 1.577 221 HB2 CYS 29 HB2 CYS 29 -7.239 3.478 2.335 222 HB3 CYS 29 HB3 CYS 29 -8.234 4.687 3.133 223 H ASN 30 H ASN 30 -4.401 4.631 2.877 224 HA ASN 30 HA ASN 30 -4.439 5.849 5.505 225 HB2 ASN 30 HB2 ASN 30 -3.184 3.682 4.463 226 HB3 ASN 30 HB3 ASN 30 -1.888 4.846 4.250 227 HD21 ASN 30 HD21 ASN 30 -3.927 3.126 6.541 228 HD22 ASN 30 HD22 ASN 30 -2.950 3.508 7.958 229 H GLY 31 H GLY 31 -3.450 6.976 2.394 230 HA2 GLY 31 HA2 GLY 31 -3.297 9.387 2.110 231 HA3 GLY 31 HA3 GLY 31 -2.340 9.501 3.577 232 H VAL 32 H VAL 32 -1.310 6.847 1.645 233 HA VAL 32 HA VAL 32 0.791 8.457 0.246 234 HB VAL 32 HB VAL 32 1.469 5.840 1.577 235 HG11 VAL 32 HG11 VAL 32 3.066 6.639 -0.078 236 HG12 VAL 32 HG12 VAL 32 3.147 8.228 0.718 237 HG13 VAL 32 HG13 VAL 32 3.765 6.774 1.522 238 HG21 VAL 32 HG21 VAL 32 0.779 7.227 3.489 239 HG22 VAL 32 HG22 VAL 32 2.532 7.099 3.462 240 HG23 VAL 32 HG23 VAL 32 1.755 8.586 2.882 241 H SER 33 H SER 33 1.721 7.386 -1.569 242 HA SER 33 HA SER 33 -0.093 5.366 -2.844 243 HB2 SER 33 HB2 SER 33 0.328 7.392 -4.121 244 HB3 SER 33 HB3 SER 33 2.069 7.021 -4.178 245 HG SER 33 HG SER 33 0.897 6.314 -6.048 246 H ILE 34 H ILE 34 0.892 3.752 -4.140 247 HA ILE 34 HA ILE 34 2.856 2.079 -2.801 248 HB ILE 34 HB ILE 34 1.367 0.642 -3.528 249 HG12 ILE 34 HG12 ILE 34 2.447 1.165 -6.313 250 HG13 ILE 34 HG13 ILE 34 3.304 0.327 -5.016 251 HG21 ILE 34 HG21 ILE 34 -0.362 0.894 -5.265 252 HG22 ILE 34 HG22 ILE 34 -0.419 2.186 -4.093 253 HG23 ILE 34 HG23 ILE 34 0.306 2.479 -5.703 254 HD11 ILE 34 HD11 ILE 34 0.809 -0.597 -6.480 255 HD12 ILE 34 HD12 ILE 34 2.403 -1.364 -6.444 256 HD13 ILE 34 HD13 ILE 34 1.398 -1.353 -4.988 257 H LYS 35 H LYS 35 4.998 2.258 -3.218 258 HA LYS 35 HA LYS 35 6.007 3.469 -5.733 259 HB2 LYS 35 HB2 LYS 35 7.205 3.906 -3.631 260 HB3 LYS 35 HB3 LYS 35 7.416 2.166 -3.359 261 HG2 LYS 35 HG2 LYS 35 8.742 1.982 -5.431 262 HG3 LYS 35 HG3 LYS 35 8.511 3.700 -5.773 263 HD2 LYS 35 HD2 LYS 35 9.842 2.645 -3.235 264 HD3 LYS 35 HD3 LYS 35 10.700 2.939 -4.742 265 HE2 LYS 35 HE2 LYS 35 9.950 5.333 -4.694 266 HE3 LYS 35 HE3 LYS 35 9.206 5.039 -3.116 267 HZ1 LYS 35 HZ1 LYS 35 11.471 5.955 -2.917 268 HZ2 LYS 35 HZ2 LYS 35 12.097 4.682 -3.718 269 HZ3 LYS 35 HZ3 LYS 35 11.410 4.464 -2.254 270 H SER 36 H SER 36 5.930 0.301 -4.066 271 HA SER 36 HA SER 36 6.034 -1.121 -6.674 272 HB2 SER 36 HB2 SER 36 7.793 -2.656 -5.724 273 HB3 SER 36 HB3 SER 36 8.327 -1.028 -6.118 274 HG SER 36 HG SER 36 9.114 -1.658 -4.075 275 H GLU 37 H GLU 37 5.652 -3.427 -6.507 276 HA GLU 37 HA GLU 37 3.458 -4.001 -4.650 277 HB2 GLU 37 HB2 GLU 37 3.141 -5.941 -6.229 278 HB3 GLU 37 HB3 GLU 37 2.816 -4.334 -6.834 279 HG2 GLU 37 HG2 GLU 37 3.844 -5.575 -8.573 280 HG3 GLU 37 HG3 GLU 37 4.964 -4.330 -8.068 281 H GLY 38 H GLY 38 3.283 -5.936 -3.471 282 HA2 GLY 38 HA2 GLY 38 4.010 -7.748 -2.244 283 HA3 GLY 38 HA3 GLY 38 5.641 -7.593 -2.904 284 H SER 39 H SER 39 5.012 -7.899 -0.154 285 HA SER 39 HA SER 39 5.559 -5.508 1.345 286 HB2 SER 39 HB2 SER 39 6.668 -8.239 1.981 287 HB3 SER 39 HB3 SER 39 6.254 -6.946 3.102 288 HG SER 39 HG SER 39 4.679 -8.658 3.049 289 H CYS 40 H CYS 40 7.405 -4.350 1.493 290 HA CYS 40 HA CYS 40 9.445 -4.891 -0.483 291 HB2 CYS 40 HB2 CYS 40 10.593 -2.847 0.839 292 HB3 CYS 40 HB3 CYS 40 9.398 -2.721 -0.423 293 HA PRO 41 HA PRO 41 12.519 -7.102 1.738 294 HB2 PRO 41 HB2 PRO 41 14.862 -6.288 0.572 295 HB3 PRO 41 HB3 PRO 41 13.628 -7.256 -0.289 296 HG2 PRO 41 HG2 PRO 41 14.017 -4.246 -0.374 297 HG3 PRO 41 HG3 PRO 41 13.826 -5.377 -1.753 298 HD2 PRO 41 HD2 PRO 41 11.717 -3.956 -0.764 299 HD3 PRO 41 HD3 PRO 41 11.506 -5.625 -1.340 300 H THR 42 H THR 42 14.032 -6.978 3.437 301 HA THR 42 HA THR 42 13.791 -4.683 5.089 302 HB THR 42 HB THR 42 15.810 -6.763 5.823 303 HG1 THR 42 HG1 THR 42 14.190 -8.274 6.251 304 HG21 THR 42 HG21 THR 42 14.939 -5.088 7.475 305 HG22 THR 42 HG22 THR 42 14.555 -6.751 7.944 306 HG23 THR 42 HG23 THR 42 13.299 -5.722 7.222 307 H GLY 43 H GLY 43 15.938 -5.042 2.658 308 HA2 GLY 43 HA2 GLY 43 18.446 -4.155 3.827 309 HA3 GLY 43 HA3 GLY 43 18.088 -4.296 2.111 310 H ILE 44 H ILE 44 16.671 -2.544 1.209 311 HA ILE 44 HA ILE 44 17.853 0.071 1.710 312 HB ILE 44 HB ILE 44 15.622 -0.761 -0.189 313 HG12 ILE 44 HG12 ILE 44 18.606 -0.282 -0.700 314 HG13 ILE 44 HG13 ILE 44 17.849 -1.869 -0.607 315 HG21 ILE 44 HG21 ILE 44 16.093 1.404 -1.325 316 HG22 ILE 44 HG22 ILE 44 15.566 1.678 0.322 317 HG23 ILE 44 HG23 ILE 44 17.292 1.805 -0.077 318 HD11 ILE 44 HD11 ILE 44 18.143 -1.358 -2.910 319 HD12 ILE 44 HD12 ILE 44 16.403 -1.283 -2.566 320 HD13 ILE 44 HD13 ILE 44 17.353 0.214 -2.755 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -14.383 7.849 6.359 2 H2 LYS 1 H2 LYS 1 -15.881 7.495 5.853 3 H3 LYS 1 H3 LYS 1 -15.412 7.042 7.352 4 HA LYS 1 HA LYS 1 -14.407 5.992 4.789 5 HB2 LYS 1 HB2 LYS 1 -12.868 4.565 5.969 6 HB3 LYS 1 HB3 LYS 1 -12.477 6.251 6.169 7 HG2 LYS 1 HG2 LYS 1 -13.969 4.726 8.350 8 HG3 LYS 1 HG3 LYS 1 -12.227 4.610 8.150 9 HD2 LYS 1 HD2 LYS 1 -12.028 7.079 8.416 10 HD3 LYS 1 HD3 LYS 1 -13.753 7.179 8.783 11 HE2 LYS 1 HE2 LYS 1 -11.713 5.530 10.337 12 HE3 LYS 1 HE3 LYS 1 -12.266 7.140 10.791 13 HZ1 LYS 1 HZ1 LYS 1 -14.527 6.243 11.004 14 HZ2 LYS 1 HZ2 LYS 1 -13.499 5.449 11.988 15 HZ3 LYS 1 HZ3 LYS 1 -14.008 4.737 10.615 16 H LYS 2 H LYS 2 -16.955 5.743 4.831 17 HA LYS 2 HA LYS 2 -17.478 2.884 5.485 18 HB2 LYS 2 HB2 LYS 2 -19.564 3.295 6.566 19 HB3 LYS 2 HB3 LYS 2 -18.319 4.219 7.397 20 HG2 LYS 2 HG2 LYS 2 -19.072 6.274 6.119 21 HG3 LYS 2 HG3 LYS 2 -20.387 5.304 5.425 22 HD2 LYS 2 HD2 LYS 2 -21.245 4.850 7.721 23 HD3 LYS 2 HD3 LYS 2 -19.943 5.861 8.390 24 HE2 LYS 2 HE2 LYS 2 -20.785 7.786 7.018 25 HE3 LYS 2 HE3 LYS 2 -22.111 6.771 6.442 26 HZ1 LYS 2 HZ1 LYS 2 -22.805 8.140 8.325 27 HZ2 LYS 2 HZ2 LYS 2 -21.643 7.518 9.284 28 HZ3 LYS 2 HZ3 LYS 2 -22.867 6.569 8.759 29 H VAL 3 H VAL 3 -18.222 5.623 3.466 30 HA VAL 3 HA VAL 3 -20.247 4.352 1.839 31 HB VAL 3 HB VAL 3 -18.390 6.679 1.192 32 HG11 VAL 3 HG11 VAL 3 -19.364 5.759 -0.877 33 HG12 VAL 3 HG12 VAL 3 -20.985 5.788 -0.144 34 HG13 VAL 3 HG13 VAL 3 -20.119 7.302 -0.480 35 HG21 VAL 3 HG21 VAL 3 -20.364 8.085 1.755 36 HG22 VAL 3 HG22 VAL 3 -21.249 6.632 2.264 37 HG23 VAL 3 HG23 VAL 3 -19.810 7.171 3.156 38 H CYS 4 H CYS 4 -16.778 4.822 1.446 39 HA CYS 4 HA CYS 4 -16.495 2.877 -0.744 40 HB2 CYS 4 HB2 CYS 4 -14.093 3.253 -0.428 41 HB3 CYS 4 HB3 CYS 4 -14.967 4.768 -0.608 42 H ALA 5 H ALA 5 -15.382 0.886 -0.541 43 HA ALA 5 HA ALA 5 -14.787 -0.257 2.105 44 HB1 ALA 5 HB1 ALA 5 -17.150 -0.844 1.813 45 HB2 ALA 5 HB2 ALA 5 -16.815 -1.518 0.202 46 HB3 ALA 5 HB3 ALA 5 -16.134 -2.288 1.652 47 H CYS 6 H CYS 6 -12.582 -0.392 1.585 48 HA CYS 6 HA CYS 6 -11.526 -1.200 -0.875 49 HB2 CYS 6 HB2 CYS 6 -10.550 -1.019 1.995 50 HB3 CYS 6 HB3 CYS 6 -9.522 -1.687 0.764 51 HA PRO 7 HA PRO 7 -12.025 -5.574 -0.813 52 HB2 PRO 7 HB2 PRO 7 -10.106 -6.441 -2.516 53 HB3 PRO 7 HB3 PRO 7 -11.432 -5.381 -3.052 54 HG2 PRO 7 HG2 PRO 7 -8.608 -4.569 -2.300 55 HG3 PRO 7 HG3 PRO 7 -9.554 -4.085 -3.743 56 HD2 PRO 7 HD2 PRO 7 -9.353 -2.588 -1.430 57 HD3 PRO 7 HD3 PRO 7 -10.778 -2.508 -2.495 58 H LYS 8 H LYS 8 -10.966 -7.644 -0.335 59 HA LYS 8 HA LYS 8 -8.936 -7.471 1.815 60 HB2 LYS 8 HB2 LYS 8 -10.345 -9.290 2.838 61 HB3 LYS 8 HB3 LYS 8 -11.052 -7.683 2.791 62 HG2 LYS 8 HG2 LYS 8 -12.515 -8.310 0.949 63 HG3 LYS 8 HG3 LYS 8 -11.734 -9.901 0.807 64 HD2 LYS 8 HD2 LYS 8 -12.563 -10.568 2.985 65 HD3 LYS 8 HD3 LYS 8 -13.130 -8.925 3.341 66 HE2 LYS 8 HE2 LYS 8 -14.765 -9.049 1.498 67 HE3 LYS 8 HE3 LYS 8 -14.199 -10.661 1.066 68 HZ1 LYS 8 HZ1 LYS 8 -14.953 -11.451 3.238 69 HZ2 LYS 8 HZ2 LYS 8 -16.197 -10.732 2.462 70 HZ3 LYS 8 HZ3 LYS 8 -15.435 -9.953 3.678 71 H ILE 9 H ILE 9 -8.647 -8.330 -1.158 72 HA ILE 9 HA ILE 9 -7.740 -10.991 -1.209 73 HB ILE 9 HB ILE 9 -6.832 -10.418 -3.233 74 HG12 ILE 9 HG12 ILE 9 -5.410 -8.544 -2.810 75 HG13 ILE 9 HG13 ILE 9 -6.410 -8.258 -4.214 76 HG21 ILE 9 HG21 ILE 9 -9.270 -8.643 -3.072 77 HG22 ILE 9 HG22 ILE 9 -8.579 -9.397 -4.516 78 HG23 ILE 9 HG23 ILE 9 -9.258 -10.410 -3.232 79 HD11 ILE 9 HD11 ILE 9 -6.193 -6.228 -2.908 80 HD12 ILE 9 HD12 ILE 9 -7.873 -6.764 -2.883 81 HD13 ILE 9 HD13 ILE 9 -6.832 -7.020 -1.459 82 H LEU 10 H LEU 10 -5.412 -11.514 -1.689 83 HA LEU 10 HA LEU 10 -3.654 -10.373 0.437 84 HB2 LEU 10 HB2 LEU 10 -4.525 -12.855 0.279 85 HB3 LEU 10 HB3 LEU 10 -3.219 -13.062 -0.870 86 HG LEU 10 HG LEU 10 -3.035 -12.176 2.047 87 HD11 LEU 10 HD11 LEU 10 -2.052 -14.691 0.634 88 HD12 LEU 10 HD12 LEU 10 -3.498 -14.580 1.662 89 HD13 LEU 10 HD13 LEU 10 -1.894 -14.326 2.367 90 HD21 LEU 10 HD21 LEU 10 -1.211 -11.059 0.874 91 HD22 LEU 10 HD22 LEU 10 -0.754 -12.577 0.066 92 HD23 LEU 10 HD23 LEU 10 -0.569 -12.395 1.825 93 H LYS 11 H LYS 11 -3.293 -8.540 -1.160 94 HA LYS 11 HA LYS 11 -0.813 -9.081 -2.683 95 HB2 LYS 11 HB2 LYS 11 -3.377 -8.029 -3.866 96 HB3 LYS 11 HB3 LYS 11 -1.877 -7.312 -4.412 97 HG2 LYS 11 HG2 LYS 11 -2.387 -10.303 -4.529 98 HG3 LYS 11 HG3 LYS 11 -2.709 -9.164 -5.840 99 HD2 LYS 11 HD2 LYS 11 -0.304 -8.452 -5.800 100 HD3 LYS 11 HD3 LYS 11 0.025 -9.715 -4.597 101 HE2 LYS 11 HE2 LYS 11 -0.754 -11.442 -6.181 102 HE3 LYS 11 HE3 LYS 11 -1.128 -10.194 -7.377 103 HZ1 LYS 11 HZ1 LYS 11 1.047 -11.188 -7.796 104 HZ2 LYS 11 HZ2 LYS 11 1.591 -10.768 -6.316 105 HZ3 LYS 11 HZ3 LYS 11 1.242 -9.613 -7.419 106 HA PRO 12 HA PRO 12 -0.546 -5.433 0.117 107 HB2 PRO 12 HB2 PRO 12 1.835 -6.114 1.328 108 HB3 PRO 12 HB3 PRO 12 0.227 -6.639 1.903 109 HG2 PRO 12 HG2 PRO 12 2.202 -8.173 0.222 110 HG3 PRO 12 HG3 PRO 12 1.226 -8.734 1.627 111 HD2 PRO 12 HD2 PRO 12 0.511 -9.214 -0.974 112 HD3 PRO 12 HD3 PRO 12 -0.702 -8.952 0.312 113 H VAL 13 H VAL 13 1.221 -3.859 0.242 114 HA VAL 13 HA VAL 13 3.005 -3.697 -2.126 115 HB VAL 13 HB VAL 13 2.187 -1.446 -2.680 116 HG11 VAL 13 HG11 VAL 13 1.304 -3.467 -3.886 117 HG12 VAL 13 HG12 VAL 13 -0.125 -3.405 -2.841 118 HG13 VAL 13 HG13 VAL 13 0.247 -2.051 -3.926 119 HG21 VAL 13 HG21 VAL 13 -0.021 -0.660 -1.895 120 HG22 VAL 13 HG22 VAL 13 -0.101 -1.996 -0.738 121 HG23 VAL 13 HG23 VAL 13 1.150 -0.735 -0.585 122 H CYS 14 H CYS 14 4.631 -2.166 -1.937 123 HA CYS 14 HA CYS 14 5.254 -1.226 0.827 124 HB2 CYS 14 HB2 CYS 14 6.973 -2.404 -0.728 125 HB3 CYS 14 HB3 CYS 14 6.982 -0.904 -1.647 126 H GLY 15 H GLY 15 4.411 0.774 1.315 127 HA2 GLY 15 HA2 GLY 15 3.623 2.734 -0.757 128 HA3 GLY 15 HA3 GLY 15 3.581 2.972 0.981 129 H SER 16 H SER 16 4.563 4.898 -0.918 130 HA SER 16 HA SER 16 7.400 4.849 -1.143 131 HB2 SER 16 HB2 SER 16 5.662 6.300 -2.383 132 HB3 SER 16 HB3 SER 16 5.873 7.441 -1.039 133 HG SER 16 HG SER 16 7.350 7.884 -2.716 134 H ASP 17 H ASP 17 5.505 5.694 1.603 135 HA ASP 17 HA ASP 17 7.474 7.060 3.215 136 HB2 ASP 17 HB2 ASP 17 5.029 7.028 3.626 137 HB3 ASP 17 HB3 ASP 17 5.105 5.298 3.965 138 H GLY 18 H GLY 18 7.299 3.775 2.162 139 HA2 GLY 18 HA2 GLY 18 9.020 2.205 2.394 140 HA3 GLY 18 HA3 GLY 18 9.558 2.950 3.892 141 H ARG 19 H ARG 19 6.327 2.733 4.348 142 HA ARG 19 HA ARG 19 6.448 0.221 5.884 143 HB2 ARG 19 HB2 ARG 19 5.022 2.568 6.244 144 HB3 ARG 19 HB3 ARG 19 3.800 1.553 5.486 145 HG2 ARG 19 HG2 ARG 19 4.671 -0.232 7.314 146 HG3 ARG 19 HG3 ARG 19 5.243 1.219 8.127 147 HD2 ARG 19 HD2 ARG 19 2.379 0.578 7.293 148 HD3 ARG 19 HD3 ARG 19 3.046 0.504 8.929 149 HE ARG 19 HE ARG 19 3.370 3.154 7.818 150 HH11 ARG 19 HH11 ARG 19 0.909 1.120 9.241 151 HH12 ARG 19 HH12 ARG 19 -0.055 2.476 9.756 152 HH21 ARG 19 HH21 ARG 19 2.104 4.848 8.493 153 HH22 ARG 19 HH22 ARG 19 0.606 4.542 9.314 154 H THR 20 H THR 20 4.736 -1.389 5.687 155 HA THR 20 HA THR 20 3.654 -1.824 2.927 156 HB THR 20 HB THR 20 4.605 -3.924 4.912 157 HG1 THR 20 HG1 THR 20 6.243 -2.981 3.660 158 HG21 THR 20 HG21 THR 20 2.586 -4.757 3.726 159 HG22 THR 20 HG22 THR 20 4.044 -5.592 3.215 160 HG23 THR 20 HG23 THR 20 3.346 -4.343 2.169 161 H TYR 21 H TYR 21 1.471 -2.001 2.769 162 HA TYR 21 HA TYR 21 -0.110 -2.609 5.184 163 HB2 TYR 21 HB2 TYR 21 -1.015 -0.956 2.832 164 HB3 TYR 21 HB3 TYR 21 -1.704 -1.145 4.459 165 HD1 TYR 21 HD1 TYR 21 1.124 0.437 2.575 166 HD2 TYR 21 HD2 TYR 21 -1.345 0.463 6.120 167 HE1 TYR 21 HE1 TYR 21 2.030 2.676 3.204 168 HE2 TYR 21 HE2 TYR 21 -0.474 2.711 6.705 169 HH TYR 21 HH TYR 21 0.871 4.452 6.076 170 H ALA 22 H ALA 22 -2.381 -3.439 4.389 171 HA ALA 22 HA ALA 22 -1.777 -6.010 3.395 172 HB1 ALA 22 HB1 ALA 22 -3.533 -5.462 5.066 173 HB2 ALA 22 HB2 ALA 22 -4.489 -4.656 3.795 174 HB3 ALA 22 HB3 ALA 22 -4.192 -6.403 3.715 175 H ASN 23 H ASN 23 -3.103 -3.254 1.560 176 HA ASN 23 HA ASN 23 -2.581 -4.553 -0.908 177 HB2 ASN 23 HB2 ASN 23 -5.056 -4.178 -1.711 178 HB3 ASN 23 HB3 ASN 23 -4.504 -5.705 -1.049 179 HD21 ASN 23 HD21 ASN 23 -6.858 -3.169 -0.685 180 HD22 ASN 23 HD22 ASN 23 -7.601 -3.963 0.697 181 H SER 24 H SER 24 -3.353 -3.112 -2.816 182 HA SER 24 HA SER 24 -2.210 -0.698 -2.408 183 HB2 SER 24 HB2 SER 24 -4.205 -1.263 -4.634 184 HB3 SER 24 HB3 SER 24 -2.888 -0.071 -4.676 185 HG SER 24 HG SER 24 -2.326 -2.037 -5.732 186 H CYS 25 H CYS 25 -5.645 -1.285 -2.395 187 HA CYS 25 HA CYS 25 -6.763 1.286 -2.335 188 HB2 CYS 25 HB2 CYS 25 -7.785 -1.040 -2.472 189 HB3 CYS 25 HB3 CYS 25 -7.767 -1.074 -0.728 190 H ILE 26 H ILE 26 -5.714 -0.678 0.283 191 HA ILE 26 HA ILE 26 -6.455 1.169 2.413 192 HB ILE 26 HB ILE 26 -5.870 -1.493 2.441 193 HG12 ILE 26 HG12 ILE 26 -7.137 -0.696 4.241 194 HG13 ILE 26 HG13 ILE 26 -5.677 -1.391 4.952 195 HG21 ILE 26 HG21 ILE 26 -3.448 -1.211 2.258 196 HG22 ILE 26 HG22 ILE 26 -3.477 -0.306 3.782 197 HG23 ILE 26 HG23 ILE 26 -3.951 -2.026 3.732 198 HD11 ILE 26 HD11 ILE 26 -4.753 0.915 5.268 199 HD12 ILE 26 HD12 ILE 26 -6.291 1.579 4.658 200 HD13 ILE 26 HD13 ILE 26 -6.264 0.627 6.144 201 H ALA 27 H ALA 27 -3.387 0.445 0.852 202 HA ALA 27 HA ALA 27 -1.725 2.304 2.223 203 HB1 ALA 27 HB1 ALA 27 -1.555 1.441 -0.696 204 HB2 ALA 27 HB2 ALA 27 -0.255 2.169 0.269 205 HB3 ALA 27 HB3 ALA 27 -0.884 0.565 0.693 206 H ARG 28 H ARG 28 -3.531 2.879 -0.848 207 HA ARG 28 HA ARG 28 -3.020 5.704 -0.935 208 HB2 ARG 28 HB2 ARG 28 -4.774 5.869 -2.576 209 HB3 ARG 28 HB3 ARG 28 -3.755 4.462 -2.895 210 HG2 ARG 28 HG2 ARG 28 -5.474 2.972 -1.987 211 HG3 ARG 28 HG3 ARG 28 -6.471 4.331 -1.499 212 HD2 ARG 28 HD2 ARG 28 -7.389 3.418 -3.513 213 HD3 ARG 28 HD3 ARG 28 -6.734 5.030 -3.847 214 HE ARG 28 HE ARG 28 -4.760 3.006 -4.425 215 HH11 ARG 28 HH11 ARG 28 -7.697 4.315 -5.796 216 HH12 ARG 28 HH12 ARG 28 -7.232 3.916 -7.427 217 HH21 ARG 28 HH21 ARG 28 -4.205 2.535 -6.535 218 HH22 ARG 28 HH22 ARG 28 -5.310 2.923 -7.817 219 H CYS 29 H CYS 29 -5.510 3.988 0.822 220 HA CYS 29 HA CYS 29 -7.200 6.148 1.497 221 HB2 CYS 29 HB2 CYS 29 -7.492 3.662 1.955 222 HB3 CYS 29 HB3 CYS 29 -6.474 3.876 3.372 223 H ASN 30 H ASN 30 -4.109 5.206 2.970 224 HA ASN 30 HA ASN 30 -4.083 7.254 5.044 225 HB2 ASN 30 HB2 ASN 30 -2.130 5.205 3.922 226 HB3 ASN 30 HB3 ASN 30 -1.614 6.436 5.039 227 HD21 ASN 30 HD21 ASN 30 -3.663 3.514 4.730 228 HD22 ASN 30 HD22 ASN 30 -3.864 3.369 6.470 229 H GLY 31 H GLY 31 -3.821 7.572 1.721 230 HA2 GLY 31 HA2 GLY 31 -3.501 9.530 0.550 231 HA3 GLY 31 HA3 GLY 31 -2.661 10.252 1.915 232 H VAL 32 H VAL 32 -0.983 7.443 1.656 233 HA VAL 32 HA VAL 32 1.152 8.578 0.013 234 HB VAL 32 HB VAL 32 2.336 6.534 0.808 235 HG11 VAL 32 HG11 VAL 32 2.696 7.386 3.087 236 HG12 VAL 32 HG12 VAL 32 2.589 8.712 1.917 237 HG13 VAL 32 HG13 VAL 32 1.209 8.346 2.974 238 HG21 VAL 32 HG21 VAL 32 1.540 5.272 2.723 239 HG22 VAL 32 HG22 VAL 32 -0.012 6.119 2.696 240 HG23 VAL 32 HG23 VAL 32 0.445 5.037 1.362 241 H SER 33 H SER 33 1.834 7.804 -1.998 242 HA SER 33 HA SER 33 0.210 5.882 -3.437 243 HB2 SER 33 HB2 SER 33 2.263 6.310 -5.041 244 HB3 SER 33 HB3 SER 33 0.959 7.477 -4.865 245 HG SER 33 HG SER 33 3.028 8.475 -4.741 246 H ILE 34 H ILE 34 1.011 3.924 -4.347 247 HA ILE 34 HA ILE 34 2.767 2.377 -2.710 248 HB ILE 34 HB ILE 34 2.078 0.627 -3.929 249 HG12 ILE 34 HG12 ILE 34 0.505 0.984 -6.068 250 HG13 ILE 34 HG13 ILE 34 1.545 2.378 -6.296 251 HG21 ILE 34 HG21 ILE 34 -0.304 0.626 -3.871 252 HG22 ILE 34 HG22 ILE 34 0.300 1.669 -2.570 253 HG23 ILE 34 HG23 ILE 34 -0.377 2.382 -4.052 254 HD11 ILE 34 HD11 ILE 34 2.406 -0.553 -6.002 255 HD12 ILE 34 HD12 ILE 34 2.376 0.389 -7.505 256 HD13 ILE 34 HD13 ILE 34 3.539 0.788 -6.230 257 H LYS 35 H LYS 35 4.860 2.207 -2.871 258 HA LYS 35 HA LYS 35 6.425 3.454 -5.030 259 HB2 LYS 35 HB2 LYS 35 6.928 3.087 -2.388 260 HB3 LYS 35 HB3 LYS 35 7.696 1.626 -2.997 261 HG2 LYS 35 HG2 LYS 35 8.989 3.108 -4.626 262 HG3 LYS 35 HG3 LYS 35 8.238 4.508 -3.845 263 HD2 LYS 35 HD2 LYS 35 9.254 3.571 -1.621 264 HD3 LYS 35 HD3 LYS 35 10.185 2.494 -2.666 265 HE2 LYS 35 HE2 LYS 35 11.641 4.301 -2.344 266 HE3 LYS 35 HE3 LYS 35 10.935 4.619 -3.930 267 HZ1 LYS 35 HZ1 LYS 35 10.147 5.900 -1.357 268 HZ2 LYS 35 HZ2 LYS 35 9.337 6.155 -2.741 269 HZ3 LYS 35 HZ3 LYS 35 10.896 6.627 -2.609 270 H SER 36 H SER 36 5.634 0.192 -3.928 271 HA SER 36 HA SER 36 5.843 -0.877 -6.617 272 HB2 SER 36 HB2 SER 36 8.237 -0.962 -5.810 273 HB3 SER 36 HB3 SER 36 7.724 -2.122 -4.574 274 HG SER 36 HG SER 36 8.529 -3.108 -6.517 275 H GLU 37 H GLU 37 5.521 -3.291 -6.561 276 HA GLU 37 HA GLU 37 3.159 -3.975 -4.948 277 HB2 GLU 37 HB2 GLU 37 3.033 -5.897 -6.468 278 HB3 GLU 37 HB3 GLU 37 2.927 -4.353 -7.281 279 HG2 GLU 37 HG2 GLU 37 5.322 -4.578 -7.998 280 HG3 GLU 37 HG3 GLU 37 5.398 -6.151 -7.190 281 H GLY 38 H GLY 38 2.987 -5.807 -3.716 282 HA2 GLY 38 HA2 GLY 38 3.589 -7.616 -2.432 283 HA3 GLY 38 HA3 GLY 38 5.232 -7.571 -3.076 284 H SER 39 H SER 39 4.641 -7.890 -0.377 285 HA SER 39 HA SER 39 5.309 -5.601 1.215 286 HB2 SER 39 HB2 SER 39 6.388 -8.376 1.658 287 HB3 SER 39 HB3 SER 39 6.045 -7.133 2.862 288 HG SER 39 HG SER 39 4.400 -8.844 2.793 289 H CYS 40 H CYS 40 7.196 -4.506 1.407 290 HA CYS 40 HA CYS 40 9.232 -5.022 -0.602 291 HB2 CYS 40 HB2 CYS 40 10.425 -3.078 0.798 292 HB3 CYS 40 HB3 CYS 40 9.219 -2.855 -0.442 293 HA PRO 41 HA PRO 41 12.147 -7.460 1.581 294 HB2 PRO 41 HB2 PRO 41 14.542 -6.720 0.483 295 HB3 PRO 41 HB3 PRO 41 13.280 -7.596 -0.433 296 HG2 PRO 41 HG2 PRO 41 13.819 -4.610 -0.410 297 HG3 PRO 41 HG3 PRO 41 13.588 -5.682 -1.828 298 HD2 PRO 41 HD2 PRO 41 11.542 -4.186 -0.804 299 HD3 PRO 41 HD3 PRO 41 11.255 -5.815 -1.459 300 H THR 42 H THR 42 13.373 -7.447 3.440 301 HA THR 42 HA THR 42 13.435 -5.032 4.983 302 HB THR 42 HB THR 42 14.880 -7.553 5.815 303 HG1 THR 42 HG1 THR 42 12.065 -7.182 5.802 304 HG21 THR 42 HG21 THR 42 14.797 -5.725 7.478 305 HG22 THR 42 HG22 THR 42 13.785 -7.075 8.001 306 HG23 THR 42 HG23 THR 42 13.032 -5.624 7.303 307 H GLY 43 H GLY 43 15.649 -6.162 2.808 308 HA2 GLY 43 HA2 GLY 43 18.121 -5.282 4.174 309 HA3 GLY 43 HA3 GLY 43 18.015 -6.125 2.641 310 H ILE 44 H ILE 44 15.944 -3.728 2.025 311 HA ILE 44 HA ILE 44 17.920 -1.588 1.397 312 HB ILE 44 HB ILE 44 16.021 -2.729 -0.690 313 HG12 ILE 44 HG12 ILE 44 19.071 -2.897 -0.504 314 HG13 ILE 44 HG13 ILE 44 17.948 -4.245 -0.314 315 HG21 ILE 44 HG21 ILE 44 17.110 -1.079 -2.190 316 HG22 ILE 44 HG22 ILE 44 16.388 -0.251 -0.826 317 HG23 ILE 44 HG23 ILE 44 18.142 -0.523 -0.856 318 HD11 ILE 44 HD11 ILE 44 17.179 -3.913 -2.674 319 HD12 ILE 44 HD12 ILE 44 18.492 -2.722 -2.878 320 HD13 ILE 44 HD13 ILE 44 18.875 -4.403 -2.493
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