NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
635049 | 6ggz | 34268 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PCA 1 H PCA 1 0.296 -11.234 0.778 2 HA PCA 1 HA PCA 1 1.078 -9.097 -0.731 3 HB2 PCA 1 HB2 PCA 1 -0.688 -8.686 -2.076 4 HB3 PCA 1 HB3 PCA 1 -1.818 -8.928 -0.737 5 HG2 PCA 1 HG2 PCA 1 -1.074 -10.797 -2.844 6 HG3 PCA 1 HG3 PCA 1 -2.326 -10.980 -1.584 7 HT2 PCA 1 HT2 PCA 1 1.420 -11.150 -0.342 8 H ILE 2 H ILE 2 1.118 -7.402 0.656 9 HA ILE 2 HA ILE 2 0.046 -7.923 3.333 10 HB ILE 2 HB ILE 2 1.947 -5.732 2.494 11 HG12 ILE 2 HG12 ILE 2 2.980 -7.901 2.068 12 HG13 ILE 2 HG13 ILE 2 3.722 -7.147 3.473 13 HG21 ILE 2 HG21 ILE 2 2.436 -5.565 4.879 14 HG22 ILE 2 HG22 ILE 2 1.266 -6.841 5.214 15 HG23 ILE 2 HG23 ILE 2 0.721 -5.296 4.564 16 HD11 ILE 2 HD11 ILE 2 3.388 -9.510 3.839 17 HD12 ILE 2 HD12 ILE 2 1.663 -9.336 3.517 18 HD13 ILE 2 HD13 ILE 2 2.377 -8.570 4.936 19 H GLU 3 H GLU 3 -2.081 -7.396 3.081 20 HA GLU 3 HA GLU 3 -2.907 -4.868 1.979 21 HB2 GLU 3 HB2 GLU 3 -4.507 -6.939 3.486 22 HB3 GLU 3 HB3 GLU 3 -5.159 -5.615 2.531 23 HG2 GLU 3 HG2 GLU 3 -4.409 -6.577 0.509 24 HG3 GLU 3 HG3 GLU 3 -3.416 -7.760 1.359 25 H THR 4 H THR 4 -2.022 -3.270 3.277 26 HA THR 4 HA THR 4 -2.529 -3.299 6.136 27 HB THR 4 HB THR 4 -1.299 -1.176 6.191 28 HG1 THR 4 HG1 THR 4 -1.400 -1.450 3.359 29 HG21 THR 4 HG21 THR 4 0.878 -1.994 5.428 30 HG22 THR 4 HG22 THR 4 0.078 -3.254 4.489 31 HG23 THR 4 HG23 THR 4 -0.024 -3.268 6.250 32 H ASN 5 H ASN 5 -3.863 -1.829 7.220 33 HA ASN 5 HA ASN 5 -6.120 -0.921 5.651 34 HB2 ASN 5 HB2 ASN 5 -6.402 -2.079 7.850 35 HB3 ASN 5 HB3 ASN 5 -5.672 -0.684 8.635 36 HD21 ASN 5 HD21 ASN 5 -7.490 -0.244 9.832 37 HD22 ASN 5 HD22 ASN 5 -8.935 0.403 9.138 38 H LYS 6 H LYS 6 -4.085 0.478 4.784 39 HA LYS 6 HA LYS 6 -4.218 3.110 6.091 40 HB2 LYS 6 HB2 LYS 6 -2.308 2.098 3.970 41 HB3 LYS 6 HB3 LYS 6 -2.256 3.684 4.722 42 HG2 LYS 6 HG2 LYS 6 -1.773 2.653 6.879 43 HG3 LYS 6 HG3 LYS 6 -1.833 1.057 6.127 44 HD2 LYS 6 HD2 LYS 6 0.019 1.717 4.638 45 HD3 LYS 6 HD3 LYS 6 0.099 3.276 5.459 46 HE2 LYS 6 HE2 LYS 6 0.531 0.585 6.745 47 HE3 LYS 6 HE3 LYS 6 1.802 1.712 6.277 48 HZ1 LYS 6 HZ1 LYS 6 -0.261 2.187 8.309 49 HZ2 LYS 6 HZ2 LYS 6 0.834 3.290 7.837 50 HZ3 LYS 6 HZ3 LYS 6 1.323 1.934 8.586 51 H LYS 7 H LYS 7 -4.529 4.979 4.686 52 HA LYS 7 HA LYS 7 -6.463 4.414 2.616 53 HB2 LYS 7 HB2 LYS 7 -6.610 6.929 2.456 54 HB3 LYS 7 HB3 LYS 7 -7.043 6.241 4.009 55 HG2 LYS 7 HG2 LYS 7 -5.803 8.143 4.523 56 HG3 LYS 7 HG3 LYS 7 -4.670 6.814 4.738 57 HD2 LYS 7 HD2 LYS 7 -3.630 7.282 2.627 58 HD3 LYS 7 HD3 LYS 7 -4.857 8.488 2.239 59 HE2 LYS 7 HE2 LYS 7 -2.922 8.665 4.546 60 HE3 LYS 7 HE3 LYS 7 -2.726 9.485 2.998 61 HZ1 LYS 7 HZ1 LYS 7 -4.828 10.609 3.459 62 HZ2 LYS 7 HZ2 LYS 7 -3.690 10.965 4.558 63 HZ3 LYS 7 HZ3 LYS 7 -4.881 9.929 4.937 64 H CYS 8 H CYS 8 -6.274 4.909 0.447 65 HA CYS 8 HA CYS 8 -3.714 4.444 -0.663 66 HB2 CYS 8 HB2 CYS 8 -6.095 5.506 -2.177 67 HB3 CYS 8 HB3 CYS 8 -4.784 4.496 -2.780 68 H GLN 9 H GLN 9 -2.456 5.792 -2.001 69 HA GLN 9 HA GLN 9 -2.600 8.596 -1.177 70 HB2 GLN 9 HB2 GLN 9 -0.509 7.181 -0.885 71 HB3 GLN 9 HB3 GLN 9 -0.357 7.200 -2.635 72 HG2 GLN 9 HG2 GLN 9 -0.144 9.610 -2.618 73 HG3 GLN 9 HG3 GLN 9 -0.372 9.634 -0.868 74 HE21 GLN 9 HE21 GLN 9 1.266 8.857 0.466 75 HE22 GLN 9 HE22 GLN 9 2.887 8.650 -0.102 76 H GLY 10 H GLY 10 -4.465 8.801 -2.645 77 HA2 GLY 10 HA2 GLY 10 -5.077 10.043 -4.559 78 HA3 GLY 10 HA3 GLY 10 -3.567 9.563 -5.325 79 H GLY 11 H GLY 11 -3.365 7.319 -5.998 80 HA2 GLY 11 HA2 GLY 11 -5.950 5.976 -6.436 81 HA3 GLY 11 HA3 GLY 11 -4.865 6.262 -7.788 82 H SER 12 H SER 12 -2.634 5.732 -5.656 83 HA SER 12 HA SER 12 -2.901 2.841 -5.410 84 HB2 SER 12 HB2 SER 12 -0.513 4.138 -6.729 85 HB3 SER 12 HB3 SER 12 -0.787 2.408 -6.493 86 HG SER 12 HG SER 12 -2.862 3.026 -7.763 87 H CYS 13 H CYS 13 -0.584 2.107 -4.436 88 HA CYS 13 HA CYS 13 0.076 3.982 -2.279 89 HB2 CYS 13 HB2 CYS 13 -0.701 1.079 -1.959 90 HB3 CYS 13 HB3 CYS 13 -0.023 2.071 -0.674 91 H ALA 14 H ALA 14 1.427 3.118 -4.738 92 HA ALA 14 HA ALA 14 3.445 1.228 -4.197 93 HB1 ALA 14 HB1 ALA 14 4.544 2.078 -6.178 94 HB2 ALA 14 HB2 ALA 14 3.536 3.524 -6.146 95 HB3 ALA 14 HB3 ALA 14 2.807 1.949 -6.458 96 H SER 15 H SER 15 3.470 4.780 -3.994 97 HA SER 15 HA SER 15 6.172 4.930 -3.107 98 HB2 SER 15 HB2 SER 15 4.930 6.806 -4.224 99 HB3 SER 15 HB3 SER 15 3.993 7.002 -2.744 100 HG SER 15 HG SER 15 5.585 8.101 -1.959 101 H VAL 16 H VAL 16 3.064 4.622 -1.537 102 HA VAL 16 HA VAL 16 3.846 5.138 1.117 103 HB VAL 16 HB VAL 16 1.701 3.266 0.085 104 HG11 VAL 16 HG11 VAL 16 2.359 2.735 2.398 105 HG12 VAL 16 HG12 VAL 16 0.719 3.375 2.301 106 HG13 VAL 16 HG13 VAL 16 2.037 4.407 2.860 107 HG21 VAL 16 HG21 VAL 16 0.169 5.108 0.579 108 HG22 VAL 16 HG22 VAL 16 1.386 5.586 -0.604 109 HG23 VAL 16 HG23 VAL 16 1.533 6.113 1.071 110 H CYS 17 H CYS 17 3.542 2.052 -0.625 111 HA CYS 17 HA CYS 17 4.629 0.462 1.435 112 HB2 CYS 17 HB2 CYS 17 4.424 -0.051 -1.537 113 HB3 CYS 17 HB3 CYS 17 4.801 -1.271 -0.323 114 H ARG 18 H ARG 18 6.068 2.297 -1.145 115 HA ARG 18 HA ARG 18 8.646 1.169 -1.084 116 HB2 ARG 18 HB2 ARG 18 7.843 2.644 -2.885 117 HB3 ARG 18 HB3 ARG 18 7.801 3.995 -1.763 118 HG2 ARG 18 HG2 ARG 18 10.176 3.989 -1.555 119 HG3 ARG 18 HG3 ARG 18 10.302 2.480 -2.458 120 HD2 ARG 18 HD2 ARG 18 10.884 4.442 -3.823 121 HD3 ARG 18 HD3 ARG 18 9.497 3.564 -4.460 122 HE ARG 18 HE ARG 18 8.741 5.726 -2.741 123 HH11 ARG 18 HH11 ARG 18 9.747 4.920 -5.997 124 HH12 ARG 18 HH12 ARG 18 8.951 6.282 -6.721 125 HH21 ARG 18 HH21 ARG 18 7.671 7.518 -3.693 126 HH22 ARG 18 HH22 ARG 18 7.774 7.760 -5.410 127 H LYS 19 H LYS 19 6.995 3.413 0.970 128 HA LYS 19 HA LYS 19 9.396 4.122 2.437 129 HB2 LYS 19 HB2 LYS 19 7.510 5.734 2.013 130 HB3 LYS 19 HB3 LYS 19 6.506 4.759 3.071 131 HG2 LYS 19 HG2 LYS 19 9.084 5.954 4.025 132 HG3 LYS 19 HG3 LYS 19 7.582 6.873 4.024 133 HD2 LYS 19 HD2 LYS 19 6.554 5.106 5.419 134 HD3 LYS 19 HD3 LYS 19 8.114 4.282 5.470 135 HE2 LYS 19 HE2 LYS 19 7.820 5.570 7.486 136 HE3 LYS 19 HE3 LYS 19 9.101 6.289 6.513 137 HZ1 LYS 19 HZ1 LYS 19 7.590 7.933 7.398 138 HZ2 LYS 19 HZ2 LYS 19 6.334 7.256 6.624 139 HZ3 LYS 19 HZ3 LYS 19 7.539 7.934 5.772 140 H VAL 20 H VAL 20 6.416 2.258 2.926 141 HA VAL 20 HA VAL 20 6.856 1.560 5.607 142 HB VAL 20 HB VAL 20 5.290 0.018 3.531 143 HG11 VAL 20 HG11 VAL 20 4.072 -0.922 5.428 144 HG12 VAL 20 HG12 VAL 20 5.124 -0.051 6.544 145 HG13 VAL 20 HG13 VAL 20 5.789 -1.321 5.517 146 HG21 VAL 20 HG21 VAL 20 3.339 1.210 4.444 147 HG22 VAL 20 HG22 VAL 20 4.508 2.309 3.710 148 HG23 VAL 20 HG23 VAL 20 4.417 2.162 5.465 149 H ILE 21 H ILE 21 7.323 -0.499 2.717 150 HA ILE 21 HA ILE 21 9.091 -2.167 4.372 151 HB ILE 21 HB ILE 21 8.673 -3.963 2.662 152 HG12 ILE 21 HG12 ILE 21 6.443 -2.100 1.817 153 HG13 ILE 21 HG13 ILE 21 7.852 -2.515 0.846 154 HG21 ILE 21 HG21 ILE 21 6.305 -2.946 4.224 155 HG22 ILE 21 HG22 ILE 21 7.600 -3.972 4.841 156 HG23 ILE 21 HG23 ILE 21 6.500 -4.586 3.606 157 HD11 ILE 21 HD11 ILE 21 5.696 -4.406 1.754 158 HD12 ILE 21 HD12 ILE 21 7.122 -4.851 0.818 159 HD13 ILE 21 HD13 ILE 21 5.919 -3.765 0.126 160 H GLY 22 H GLY 22 8.824 -0.519 1.255 161 HA2 GLY 22 HA2 GLY 22 11.149 0.470 0.789 162 HA3 GLY 22 HA3 GLY 22 11.647 -1.213 0.758 163 H VAL 23 H VAL 23 9.355 -2.241 -0.612 164 HA VAL 23 HA VAL 23 10.225 -1.600 -3.280 165 HB VAL 23 HB VAL 23 8.724 -3.351 -4.052 166 HG11 VAL 23 HG11 VAL 23 10.268 -4.164 -1.590 167 HG12 VAL 23 HG12 VAL 23 10.906 -4.025 -3.228 168 HG13 VAL 23 HG13 VAL 23 9.703 -5.258 -2.852 169 HG21 VAL 23 HG21 VAL 23 7.358 -4.644 -2.489 170 HG22 VAL 23 HG22 VAL 23 6.853 -2.955 -2.564 171 HG23 VAL 23 HG23 VAL 23 7.797 -3.534 -1.191 172 H ALA 24 H ALA 24 8.962 -0.794 -4.952 173 HA ALA 24 HA ALA 24 6.874 1.025 -4.042 174 HB1 ALA 24 HB1 ALA 24 8.711 1.934 -5.404 175 HB2 ALA 24 HB2 ALA 24 7.146 2.135 -6.191 176 HB3 ALA 24 HB3 ALA 24 8.246 0.866 -6.726 177 H ALA 25 H ALA 25 6.163 -1.613 -4.000 178 HA ALA 25 HA ALA 25 4.266 -1.802 -6.237 179 HB1 ALA 25 HB1 ALA 25 4.245 -4.188 -5.952 180 HB2 ALA 25 HB2 ALA 25 5.306 -4.070 -4.548 181 HB3 ALA 25 HB3 ALA 25 5.912 -3.648 -6.150 182 H GLY 26 H GLY 26 2.398 -1.065 -5.576 183 HA2 GLY 26 HA2 GLY 26 0.976 -2.218 -3.407 184 HA3 GLY 26 HA3 GLY 26 1.581 -0.629 -2.968 185 H LYS 27 H LYS 27 -1.143 -1.929 -3.691 186 HA LYS 27 HA LYS 27 -1.976 0.133 -5.617 187 HB2 LYS 27 HB2 LYS 27 -2.680 -2.796 -5.572 188 HB3 LYS 27 HB3 LYS 27 -3.640 -1.611 -6.449 189 HG2 LYS 27 HG2 LYS 27 -1.794 -1.066 -7.869 190 HG3 LYS 27 HG3 LYS 27 -0.697 -2.052 -6.903 191 HD2 LYS 27 HD2 LYS 27 -1.324 -3.216 -8.945 192 HD3 LYS 27 HD3 LYS 27 -1.964 -4.059 -7.534 193 HE2 LYS 27 HE2 LYS 27 -4.145 -3.006 -7.911 194 HE3 LYS 27 HE3 LYS 27 -3.499 -2.187 -9.331 195 HZ1 LYS 27 HZ1 LYS 27 -3.732 -5.093 -8.999 196 HZ2 LYS 27 HZ2 LYS 27 -3.116 -4.349 -10.304 197 HZ3 LYS 27 HZ3 LYS 27 -4.688 -4.165 -9.936 198 H CYS 28 H CYS 28 -4.394 0.407 -5.633 199 HA CYS 28 HA CYS 28 -5.211 0.764 -2.849 200 HB2 CYS 28 HB2 CYS 28 -5.136 2.738 -4.341 201 HB3 CYS 28 HB3 CYS 28 -6.333 1.980 -5.383 202 H ILE 29 H ILE 29 -6.017 -1.260 -2.350 203 HA ILE 29 HA ILE 29 -8.357 -2.147 -3.886 204 HB ILE 29 HB ILE 29 -6.432 -3.607 -2.107 205 HG12 ILE 29 HG12 ILE 29 -6.470 -5.234 -3.961 206 HG13 ILE 29 HG13 ILE 29 -7.648 -4.243 -4.806 207 HG21 ILE 29 HG21 ILE 29 -9.216 -4.548 -2.780 208 HG22 ILE 29 HG22 ILE 29 -8.581 -4.190 -1.173 209 HG23 ILE 29 HG23 ILE 29 -7.945 -5.556 -2.089 210 HD11 ILE 29 HD11 ILE 29 -4.821 -3.463 -4.138 211 HD12 ILE 29 HD12 ILE 29 -5.995 -2.456 -4.985 212 HD13 ILE 29 HD13 ILE 29 -5.426 -3.955 -5.721 213 H ASN 30 H ASN 30 -10.270 -1.642 -3.096 214 HA ASN 30 HA ASN 30 -11.948 -1.003 -1.739 215 HB2 ASN 30 HB2 ASN 30 -10.401 -2.789 0.128 216 HB3 ASN 30 HB3 ASN 30 -11.937 -2.060 0.560 217 HD21 ASN 30 HD21 ASN 30 -11.152 -4.875 0.194 218 HD22 ASN 30 HD22 ASN 30 -12.263 -5.510 -0.959 219 H GLY 31 H GLY 31 -9.541 0.686 -1.876 220 HA2 GLY 31 HA2 GLY 31 -9.104 2.794 -1.011 221 HA3 GLY 31 HA3 GLY 31 -10.273 2.476 0.262 222 H ARG 32 H ARG 32 -8.038 -0.025 -0.054 223 HA ARG 32 HA ARG 32 -6.411 1.078 2.136 224 HB2 ARG 32 HB2 ARG 32 -7.479 -1.681 1.659 225 HB3 ARG 32 HB3 ARG 32 -5.979 -1.479 2.551 226 HG2 ARG 32 HG2 ARG 32 -7.741 -1.648 4.128 227 HG3 ARG 32 HG3 ARG 32 -7.199 0.028 4.117 228 HD2 ARG 32 HD2 ARG 32 -9.084 0.619 2.669 229 HD3 ARG 32 HD3 ARG 32 -9.629 -1.057 2.700 230 HE ARG 32 HE ARG 32 -9.389 -0.139 5.341 231 HH11 ARG 32 HH11 ARG 32 -11.356 0.394 2.492 232 HH12 ARG 32 HH12 ARG 32 -12.776 0.823 3.395 233 HH21 ARG 32 HH21 ARG 32 -11.265 0.423 6.533 234 HH22 ARG 32 HH22 ARG 32 -12.719 0.855 5.691 235 H CYS 33 H CYS 33 -4.230 0.022 2.278 236 HA CYS 33 HA CYS 33 -3.061 0.054 -0.410 237 HB2 CYS 33 HB2 CYS 33 -1.866 0.700 2.291 238 HB3 CYS 33 HB3 CYS 33 -0.935 0.625 0.799 239 H VAL 34 H VAL 34 -2.867 -1.988 -1.118 240 HA VAL 34 HA VAL 34 -1.740 -3.972 0.708 241 HB VAL 34 HB VAL 34 -3.611 -4.851 -0.478 242 HG11 VAL 34 HG11 VAL 34 -2.273 -3.981 -3.020 243 HG12 VAL 34 HG12 VAL 34 -3.713 -3.263 -2.297 244 HG13 VAL 34 HG13 VAL 34 -3.763 -4.918 -2.904 245 HG21 VAL 34 HG21 VAL 34 -1.084 -5.884 -1.728 246 HG22 VAL 34 HG22 VAL 34 -2.633 -6.727 -1.696 247 HG23 VAL 34 HG23 VAL 34 -1.775 -6.399 -0.190 248 H CYS 35 H CYS 35 0.341 -4.061 0.827 249 HA CYS 35 HA CYS 35 2.033 -3.120 -1.327 250 HB2 CYS 35 HB2 CYS 35 2.724 -4.251 1.394 251 HB3 CYS 35 HB3 CYS 35 3.858 -3.494 0.281 252 H TYR 36 H TYR 36 3.531 -4.378 -2.442 253 HA TYR 36 HA TYR 36 2.998 -7.278 -2.284 254 HB2 TYR 36 HB2 TYR 36 3.712 -5.721 -4.771 255 HB3 TYR 36 HB3 TYR 36 3.275 -7.421 -4.679 256 HD1 TYR 36 HD1 TYR 36 0.859 -7.631 -3.247 257 HD2 TYR 36 HD2 TYR 36 2.101 -4.440 -5.775 258 HE1 TYR 36 HE1 TYR 36 -1.494 -7.056 -3.678 259 HE2 TYR 36 HE2 TYR 36 -0.238 -3.874 -6.218 260 HH TYR 36 HH TYR 36 -2.837 -5.228 -4.437 261 HA PRO 37 HA PRO 37 7.527 -6.708 -1.562 262 HB2 PRO 37 HB2 PRO 37 7.695 -8.561 0.411 263 HB3 PRO 37 HB3 PRO 37 7.299 -6.866 0.703 264 HG2 PRO 37 HG2 PRO 37 5.499 -9.235 0.565 265 HG3 PRO 37 HG3 PRO 37 5.431 -7.826 1.636 266 HD2 PRO 37 HD2 PRO 37 3.843 -8.147 -0.563 267 HD3 PRO 37 HD3 PRO 37 4.292 -6.569 0.109 Start of MODEL 2 1 H PCA 1 H PCA 1 0.316 -11.109 0.537 2 HA PCA 1 HA PCA 1 1.244 -8.983 -0.791 3 HB2 PCA 1 HB2 PCA 1 -0.297 -8.476 -2.358 4 HB3 PCA 1 HB3 PCA 1 -1.554 -8.471 -1.115 5 HG2 PCA 1 HG2 PCA 1 -0.994 -10.515 -3.098 6 HG3 PCA 1 HG3 PCA 1 -2.313 -10.471 -1.895 7 HT2 PCA 1 HT2 PCA 1 1.362 -11.081 -0.660 8 H ILE 2 H ILE 2 0.961 -7.172 0.527 9 HA ILE 2 HA ILE 2 -0.286 -7.821 3.114 10 HB ILE 2 HB ILE 2 1.859 -5.763 2.566 11 HG12 ILE 2 HG12 ILE 2 2.122 -8.526 3.779 12 HG13 ILE 2 HG13 ILE 2 2.641 -8.083 2.156 13 HG21 ILE 2 HG21 ILE 2 0.482 -5.282 4.525 14 HG22 ILE 2 HG22 ILE 2 2.117 -5.740 4.999 15 HG23 ILE 2 HG23 ILE 2 0.797 -6.899 5.151 16 HD11 ILE 2 HD11 ILE 2 4.519 -8.155 3.684 17 HD12 ILE 2 HD12 ILE 2 3.737 -6.970 4.728 18 HD13 ILE 2 HD13 ILE 2 4.252 -6.512 3.105 19 H GLU 3 H GLU 3 -2.362 -7.077 2.735 20 HA GLU 3 HA GLU 3 -2.881 -4.371 1.933 21 HB2 GLU 3 HB2 GLU 3 -4.615 -6.520 3.148 22 HB3 GLU 3 HB3 GLU 3 -5.217 -4.914 2.757 23 HG2 GLU 3 HG2 GLU 3 -4.796 -5.248 0.434 24 HG3 GLU 3 HG3 GLU 3 -3.952 -6.763 0.752 25 H THR 4 H THR 4 -2.472 -2.700 3.183 26 HA THR 4 HA THR 4 -2.392 -3.063 6.089 27 HB THR 4 HB THR 4 -1.184 -0.886 6.105 28 HG1 THR 4 HG1 THR 4 -1.193 -1.180 3.263 29 HG21 THR 4 HG21 THR 4 -0.000 -2.968 4.263 30 HG22 THR 4 HG22 THR 4 0.061 -3.000 6.025 31 HG23 THR 4 HG23 THR 4 0.901 -1.728 5.138 32 H ASN 5 H ASN 5 -3.361 -1.481 7.473 33 HA ASN 5 HA ASN 5 -5.937 -0.621 6.505 34 HB2 ASN 5 HB2 ASN 5 -4.640 -0.456 9.232 35 HB3 ASN 5 HB3 ASN 5 -6.270 0.110 8.892 36 HD21 ASN 5 HD21 ASN 5 -7.213 -1.329 10.299 37 HD22 ASN 5 HD22 ASN 5 -7.308 -3.027 9.978 38 H LYS 6 H LYS 6 -4.136 0.763 5.106 39 HA LYS 6 HA LYS 6 -4.216 3.468 6.268 40 HB2 LYS 6 HB2 LYS 6 -2.199 2.346 4.308 41 HB3 LYS 6 HB3 LYS 6 -2.231 3.997 4.912 42 HG2 LYS 6 HG2 LYS 6 -1.911 3.095 7.209 43 HG3 LYS 6 HG3 LYS 6 -1.703 1.495 6.495 44 HD2 LYS 6 HD2 LYS 6 0.210 2.314 5.212 45 HD3 LYS 6 HD3 LYS 6 -0.006 3.920 5.910 46 HE2 LYS 6 HE2 LYS 6 0.334 2.926 8.160 47 HE3 LYS 6 HE3 LYS 6 0.691 1.385 7.384 48 HZ1 LYS 6 HZ1 LYS 6 2.543 2.452 6.293 49 HZ2 LYS 6 HZ2 LYS 6 2.687 2.585 7.902 50 HZ3 LYS 6 HZ3 LYS 6 2.213 3.868 7.024 51 H LYS 7 H LYS 7 -4.267 5.188 4.559 52 HA LYS 7 HA LYS 7 -6.223 4.418 2.536 53 HB2 LYS 7 HB2 LYS 7 -6.490 6.923 2.253 54 HB3 LYS 7 HB3 LYS 7 -6.987 6.260 3.792 55 HG2 LYS 7 HG2 LYS 7 -5.889 8.205 4.373 56 HG3 LYS 7 HG3 LYS 7 -4.673 6.959 4.631 57 HD2 LYS 7 HD2 LYS 7 -3.496 8.617 3.521 58 HD3 LYS 7 HD3 LYS 7 -3.931 7.500 2.230 59 HE2 LYS 7 HE2 LYS 7 -5.549 9.943 2.903 60 HE3 LYS 7 HE3 LYS 7 -4.235 9.960 1.732 61 HZ1 LYS 7 HZ1 LYS 7 -5.459 8.241 0.515 62 HZ2 LYS 7 HZ2 LYS 7 -6.278 9.642 0.615 63 HZ3 LYS 7 HZ3 LYS 7 -6.708 8.393 1.556 64 H CYS 8 H CYS 8 -6.003 4.868 0.371 65 HA CYS 8 HA CYS 8 -3.384 4.467 -0.645 66 HB2 CYS 8 HB2 CYS 8 -5.903 5.170 -2.156 67 HB3 CYS 8 HB3 CYS 8 -4.456 4.422 -2.822 68 H GLN 9 H GLN 9 -2.483 5.792 -2.456 69 HA GLN 9 HA GLN 9 -2.553 8.617 -1.646 70 HB2 GLN 9 HB2 GLN 9 -0.433 7.204 -1.393 71 HB3 GLN 9 HB3 GLN 9 -0.338 7.225 -3.149 72 HG2 GLN 9 HG2 GLN 9 1.097 8.920 -2.187 73 HG3 GLN 9 HG3 GLN 9 -0.207 9.661 -3.114 74 HE21 GLN 9 HE21 GLN 9 1.089 9.086 0.056 75 HE22 GLN 9 HE22 GLN 9 0.110 10.245 0.886 76 H GLY 10 H GLY 10 -4.465 7.546 -3.478 77 HA2 GLY 10 HA2 GLY 10 -5.440 8.631 -5.332 78 HA3 GLY 10 HA3 GLY 10 -3.857 9.252 -5.773 79 H GLY 11 H GLY 11 -5.875 6.362 -5.738 80 HA2 GLY 11 HA2 GLY 11 -6.153 4.914 -7.564 81 HA3 GLY 11 HA3 GLY 11 -4.704 5.586 -8.293 82 H SER 12 H SER 12 -2.952 5.256 -6.130 83 HA SER 12 HA SER 12 -2.947 2.396 -5.556 84 HB2 SER 12 HB2 SER 12 -1.690 2.564 -7.635 85 HB3 SER 12 HB3 SER 12 -0.695 3.857 -6.968 86 HG SER 12 HG SER 12 -0.095 1.378 -6.944 87 H CYS 13 H CYS 13 -0.653 2.077 -4.298 88 HA CYS 13 HA CYS 13 -0.248 4.305 -2.459 89 HB2 CYS 13 HB2 CYS 13 -2.006 2.390 -1.734 90 HB3 CYS 13 HB3 CYS 13 -0.511 1.638 -1.187 91 H ALA 14 H ALA 14 1.226 3.034 -4.610 92 HA ALA 14 HA ALA 14 3.232 1.284 -3.710 93 HB1 ALA 14 HB1 ALA 14 3.382 3.302 -5.945 94 HB2 ALA 14 HB2 ALA 14 2.718 1.673 -6.077 95 HB3 ALA 14 HB3 ALA 14 4.431 1.901 -5.729 96 H SER 15 H SER 15 3.003 4.794 -3.697 97 HA SER 15 HA SER 15 5.669 5.356 -2.982 98 HB2 SER 15 HB2 SER 15 4.597 7.511 -2.072 99 HB3 SER 15 HB3 SER 15 4.379 7.163 -3.787 100 HG SER 15 HG SER 15 2.332 7.322 -3.371 101 H VAL 16 H VAL 16 2.775 4.748 -1.072 102 HA VAL 16 HA VAL 16 3.939 5.142 1.474 103 HB VAL 16 HB VAL 16 1.504 3.592 0.590 104 HG11 VAL 16 HG11 VAL 16 2.389 2.652 2.699 105 HG12 VAL 16 HG12 VAL 16 0.822 3.435 2.902 106 HG13 VAL 16 HG13 VAL 16 2.295 4.257 3.424 107 HG21 VAL 16 HG21 VAL 16 1.835 6.258 1.962 108 HG22 VAL 16 HG22 VAL 16 0.297 5.493 1.560 109 HG23 VAL 16 HG23 VAL 16 1.392 6.003 0.274 110 H CYS 17 H CYS 17 3.344 2.215 -0.459 111 HA CYS 17 HA CYS 17 4.410 0.364 1.346 112 HB2 CYS 17 HB2 CYS 17 4.222 0.306 -1.666 113 HB3 CYS 17 HB3 CYS 17 4.724 -1.073 -0.695 114 H ARG 18 H ARG 18 5.990 2.485 -0.951 115 HA ARG 18 HA ARG 18 8.528 1.233 -0.888 116 HB2 ARG 18 HB2 ARG 18 7.818 2.870 -2.617 117 HB3 ARG 18 HB3 ARG 18 7.893 4.145 -1.409 118 HG2 ARG 18 HG2 ARG 18 10.288 3.731 -1.125 119 HG3 ARG 18 HG3 ARG 18 10.206 2.465 -2.352 120 HD2 ARG 18 HD2 ARG 18 9.481 4.121 -4.004 121 HD3 ARG 18 HD3 ARG 18 9.571 5.383 -2.776 122 HE ARG 18 HE ARG 18 12.051 4.066 -2.929 123 HH11 ARG 18 HH11 ARG 18 10.049 6.247 -4.788 124 HH12 ARG 18 HH12 ARG 18 11.385 6.986 -5.605 125 HH21 ARG 18 HH21 ARG 18 13.819 5.028 -4.001 126 HH22 ARG 18 HH22 ARG 18 13.538 6.292 -5.156 127 H LYS 19 H LYS 19 6.854 3.240 1.340 128 HA LYS 19 HA LYS 19 9.282 3.804 2.864 129 HB2 LYS 19 HB2 LYS 19 7.615 5.600 2.565 130 HB3 LYS 19 HB3 LYS 19 6.411 4.609 3.375 131 HG2 LYS 19 HG2 LYS 19 7.698 4.691 5.434 132 HG3 LYS 19 HG3 LYS 19 8.950 5.635 4.625 133 HD2 LYS 19 HD2 LYS 19 7.358 7.430 4.222 134 HD3 LYS 19 HD3 LYS 19 6.081 6.485 4.987 135 HE2 LYS 19 HE2 LYS 19 8.607 7.394 6.358 136 HE3 LYS 19 HE3 LYS 19 7.052 8.217 6.471 137 HZ1 LYS 19 HZ1 LYS 19 7.431 6.753 8.328 138 HZ2 LYS 19 HZ2 LYS 19 7.575 5.467 7.348 139 HZ3 LYS 19 HZ3 LYS 19 6.151 6.237 7.467 140 H VAL 20 H VAL 20 6.366 1.873 2.947 141 HA VAL 20 HA VAL 20 6.678 0.941 5.622 142 HB VAL 20 HB VAL 20 5.095 -0.282 3.353 143 HG11 VAL 20 HG11 VAL 20 4.890 -0.747 6.327 144 HG12 VAL 20 HG12 VAL 20 5.543 -1.882 5.148 145 HG13 VAL 20 HG13 VAL 20 3.837 -1.440 5.093 146 HG21 VAL 20 HG21 VAL 20 3.166 0.830 4.377 147 HG22 VAL 20 HG22 VAL 20 4.381 1.994 3.848 148 HG23 VAL 20 HG23 VAL 20 4.233 1.588 5.558 149 H ILE 21 H ILE 21 6.944 -0.917 2.565 150 HA ILE 21 HA ILE 21 8.658 -2.812 4.000 151 HB ILE 21 HB ILE 21 8.290 -4.331 2.083 152 HG12 ILE 21 HG12 ILE 21 6.313 -2.251 1.132 153 HG13 ILE 21 HG13 ILE 21 7.879 -2.549 0.388 154 HG21 ILE 21 HG21 ILE 21 6.872 -4.471 4.048 155 HG22 ILE 21 HG22 ILE 21 5.950 -4.841 2.591 156 HG23 ILE 21 HG23 ILE 21 5.779 -3.265 3.363 157 HD11 ILE 21 HD11 ILE 21 6.046 -3.620 -0.825 158 HD12 ILE 21 HD12 ILE 21 5.658 -4.565 0.613 159 HD13 ILE 21 HD13 ILE 21 7.204 -4.794 -0.203 160 H GLY 22 H GLY 22 8.893 -0.271 1.781 161 HA2 GLY 22 HA2 GLY 22 10.968 0.650 1.143 162 HA3 GLY 22 HA3 GLY 22 11.721 -0.913 1.405 163 H VAL 23 H VAL 23 8.923 -1.362 -0.322 164 HA VAL 23 HA VAL 23 10.352 -1.156 -2.892 165 HB VAL 23 HB VAL 23 8.163 -3.150 -2.497 166 HG11 VAL 23 HG11 VAL 23 9.373 -4.345 -4.262 167 HG12 VAL 23 HG12 VAL 23 10.583 -3.061 -4.278 168 HG13 VAL 23 HG13 VAL 23 8.918 -2.710 -4.743 169 HG21 VAL 23 HG21 VAL 23 9.716 -3.620 -0.672 170 HG22 VAL 23 HG22 VAL 23 11.058 -3.659 -1.818 171 HG23 VAL 23 HG23 VAL 23 9.789 -4.882 -1.903 172 H ALA 24 H ALA 24 9.081 -0.548 -4.683 173 HA ALA 24 HA ALA 24 6.787 1.076 -3.853 174 HB1 ALA 24 HB1 ALA 24 8.642 2.243 -4.962 175 HB2 ALA 24 HB2 ALA 24 7.134 2.362 -5.873 176 HB3 ALA 24 HB3 ALA 24 8.396 1.246 -6.396 177 H ALA 25 H ALA 25 6.415 -1.691 -4.140 178 HA ALA 25 HA ALA 25 4.691 -1.803 -6.520 179 HB1 ALA 25 HB1 ALA 25 6.373 -3.583 -6.429 180 HB2 ALA 25 HB2 ALA 25 4.739 -4.230 -6.289 181 HB3 ALA 25 HB3 ALA 25 5.756 -4.084 -4.857 182 H GLY 26 H GLY 26 2.649 -1.346 -6.075 183 HA2 GLY 26 HA2 GLY 26 1.238 -2.626 -3.951 184 HA3 GLY 26 HA3 GLY 26 1.571 -0.941 -3.577 185 H LYS 27 H LYS 27 -0.993 -1.922 -3.790 186 HA LYS 27 HA LYS 27 -1.985 -0.319 -6.032 187 HB2 LYS 27 HB2 LYS 27 -2.902 -3.131 -5.399 188 HB3 LYS 27 HB3 LYS 27 -3.761 -2.033 -6.468 189 HG2 LYS 27 HG2 LYS 27 -1.722 -1.949 -7.900 190 HG3 LYS 27 HG3 LYS 27 -1.020 -3.201 -6.876 191 HD2 LYS 27 HD2 LYS 27 -3.586 -3.445 -8.447 192 HD3 LYS 27 HD3 LYS 27 -2.032 -4.138 -8.909 193 HE2 LYS 27 HE2 LYS 27 -2.042 -5.495 -6.863 194 HE3 LYS 27 HE3 LYS 27 -3.607 -4.811 -6.424 195 HZ1 LYS 27 HZ1 LYS 27 -3.831 -6.948 -7.483 196 HZ2 LYS 27 HZ2 LYS 27 -3.082 -6.413 -8.825 197 HZ3 LYS 27 HZ3 LYS 27 -4.522 -5.794 -8.401 198 H CYS 28 H CYS 28 -4.470 -0.123 -5.762 199 HA CYS 28 HA CYS 28 -4.993 0.411 -2.918 200 HB2 CYS 28 HB2 CYS 28 -5.098 2.321 -4.581 201 HB3 CYS 28 HB3 CYS 28 -6.502 1.528 -5.288 202 H ILE 29 H ILE 29 -6.119 -1.137 -1.965 203 HA ILE 29 HA ILE 29 -8.258 -2.466 -3.500 204 HB ILE 29 HB ILE 29 -6.465 -3.609 -1.361 205 HG12 ILE 29 HG12 ILE 29 -6.993 -4.416 -4.229 206 HG13 ILE 29 HG13 ILE 29 -5.540 -3.626 -3.628 207 HG21 ILE 29 HG21 ILE 29 -8.737 -4.324 -0.911 208 HG22 ILE 29 HG22 ILE 29 -7.780 -5.671 -1.531 209 HG23 ILE 29 HG23 ILE 29 -8.926 -4.843 -2.587 210 HD11 ILE 29 HD11 ILE 29 -5.167 -5.995 -3.964 211 HD12 ILE 29 HD12 ILE 29 -6.502 -6.376 -2.875 212 HD13 ILE 29 HD13 ILE 29 -5.054 -5.585 -2.251 213 H ASN 30 H ASN 30 -10.168 -1.752 -2.849 214 HA ASN 30 HA ASN 30 -11.905 -1.065 -1.588 215 HB2 ASN 30 HB2 ASN 30 -10.486 -2.633 0.573 216 HB3 ASN 30 HB3 ASN 30 -12.140 -2.051 0.655 217 HD21 ASN 30 HD21 ASN 30 -11.120 -4.777 0.772 218 HD22 ASN 30 HD22 ASN 30 -11.893 -5.627 -0.512 219 H GLY 31 H GLY 31 -9.553 0.634 -1.760 220 HA2 GLY 31 HA2 GLY 31 -9.117 2.773 -0.966 221 HA3 GLY 31 HA3 GLY 31 -10.226 2.474 0.364 222 H ARG 32 H ARG 32 -8.040 -0.045 0.063 223 HA ARG 32 HA ARG 32 -6.337 1.112 2.166 224 HB2 ARG 32 HB2 ARG 32 -7.121 -1.770 1.707 225 HB3 ARG 32 HB3 ARG 32 -5.975 -1.227 2.926 226 HG2 ARG 32 HG2 ARG 32 -8.902 -0.527 2.787 227 HG3 ARG 32 HG3 ARG 32 -8.135 -1.633 3.929 228 HD2 ARG 32 HD2 ARG 32 -6.824 0.205 4.847 229 HD3 ARG 32 HD3 ARG 32 -7.541 1.313 3.680 230 HE ARG 32 HE ARG 32 -9.433 -0.059 5.379 231 HH11 ARG 32 HH11 ARG 32 -7.423 2.770 4.949 232 HH12 ARG 32 HH12 ARG 32 -8.370 3.765 6.006 233 HH21 ARG 32 HH21 ARG 32 -10.686 1.241 6.770 234 HH22 ARG 32 HH22 ARG 32 -10.236 2.895 7.042 235 H CYS 33 H CYS 33 -4.157 0.124 2.280 236 HA CYS 33 HA CYS 33 -3.037 0.230 -0.418 237 HB2 CYS 33 HB2 CYS 33 -1.681 0.632 2.261 238 HB3 CYS 33 HB3 CYS 33 -0.943 0.869 0.682 239 H VAL 34 H VAL 34 -2.713 -1.721 -1.270 240 HA VAL 34 HA VAL 34 -1.723 -3.863 0.459 241 HB VAL 34 HB VAL 34 -3.588 -4.480 -0.981 242 HG11 VAL 34 HG11 VAL 34 -3.307 -2.920 -2.785 243 HG12 VAL 34 HG12 VAL 34 -3.330 -4.564 -3.425 244 HG13 VAL 34 HG13 VAL 34 -1.801 -3.700 -3.267 245 HG21 VAL 34 HG21 VAL 34 -1.946 -6.191 -0.447 246 HG22 VAL 34 HG22 VAL 34 -1.013 -5.754 -1.880 247 HG23 VAL 34 HG23 VAL 34 -2.626 -6.449 -2.054 248 H CYS 35 H CYS 35 0.348 -4.270 0.567 249 HA CYS 35 HA CYS 35 2.118 -3.157 -1.484 250 HB2 CYS 35 HB2 CYS 35 2.747 -4.199 1.286 251 HB3 CYS 35 HB3 CYS 35 3.897 -3.441 0.187 252 H TYR 36 H TYR 36 3.519 -4.385 -2.646 253 HA TYR 36 HA TYR 36 3.218 -7.307 -2.381 254 HB2 TYR 36 HB2 TYR 36 3.512 -5.564 -4.821 255 HB3 TYR 36 HB3 TYR 36 3.847 -7.289 -4.871 256 HD1 TYR 36 HD1 TYR 36 1.155 -4.839 -4.042 257 HD2 TYR 36 HD2 TYR 36 2.120 -8.809 -5.231 258 HE1 TYR 36 HE1 TYR 36 -1.223 -5.290 -4.453 259 HE2 TYR 36 HE2 TYR 36 -0.255 -9.268 -5.647 260 HH TYR 36 HH TYR 36 -2.440 -8.440 -4.990 261 HA PRO 37 HA PRO 37 7.663 -6.724 -1.659 262 HB2 PRO 37 HB2 PRO 37 7.958 -8.892 -0.069 263 HB3 PRO 37 HB3 PRO 37 7.380 -7.333 0.526 264 HG2 PRO 37 HG2 PRO 37 5.863 -9.814 -0.072 265 HG3 PRO 37 HG3 PRO 37 5.574 -8.584 1.166 266 HD2 PRO 37 HD2 PRO 37 4.200 -8.809 -1.240 267 HD3 PRO 37 HD3 PRO 37 4.250 -7.365 -0.212 Start of MODEL 3 1 H PCA 1 H PCA 1 0.440 -11.365 0.603 2 HA PCA 1 HA PCA 1 1.746 -9.300 -0.590 3 HB2 PCA 1 HB2 PCA 1 0.246 -8.426 -2.031 4 HB3 PCA 1 HB3 PCA 1 -1.031 -8.519 -0.812 5 HG2 PCA 1 HG2 PCA 1 -0.512 -10.328 -3.034 6 HG3 PCA 1 HG3 PCA 1 -1.879 -10.340 -1.887 7 HT2 PCA 1 HT2 PCA 1 1.635 -11.406 -0.444 8 H ILE 2 H ILE 2 0.901 -7.210 0.557 9 HA ILE 2 HA ILE 2 -0.061 -7.981 3.235 10 HB ILE 2 HB ILE 2 1.977 -5.823 2.686 11 HG12 ILE 2 HG12 ILE 2 2.407 -8.581 3.865 12 HG13 ILE 2 HG13 ILE 2 2.863 -8.108 2.233 13 HG21 ILE 2 HG21 ILE 2 1.016 -7.064 5.261 14 HG22 ILE 2 HG22 ILE 2 0.577 -5.467 4.660 15 HG23 ILE 2 HG23 ILE 2 2.248 -5.810 5.111 16 HD11 ILE 2 HD11 ILE 2 4.776 -8.083 3.719 17 HD12 ILE 2 HD12 ILE 2 3.957 -6.937 4.779 18 HD13 ILE 2 HD13 ILE 2 4.411 -6.457 3.144 19 H GLU 3 H GLU 3 -2.173 -7.353 2.765 20 HA GLU 3 HA GLU 3 -2.826 -4.696 1.945 21 HB2 GLU 3 HB2 GLU 3 -4.485 -6.853 3.251 22 HB3 GLU 3 HB3 GLU 3 -5.133 -5.313 2.706 23 HG2 GLU 3 HG2 GLU 3 -4.448 -5.838 0.421 24 HG3 GLU 3 HG3 GLU 3 -3.819 -7.390 0.970 25 H THR 4 H THR 4 -2.051 -3.137 3.192 26 HA THR 4 HA THR 4 -2.190 -3.323 6.094 27 HB THR 4 HB THR 4 -0.919 -1.220 6.077 28 HG1 THR 4 HG1 THR 4 -1.105 -1.414 3.231 29 HG21 THR 4 HG21 THR 4 0.332 -3.313 5.882 30 HG22 THR 4 HG22 THR 4 1.121 -2.023 4.975 31 HG23 THR 4 HG23 THR 4 0.176 -3.248 4.125 32 H ASN 5 H ASN 5 -2.959 -1.294 7.256 33 HA ASN 5 HA ASN 5 -5.598 -0.624 6.234 34 HB2 ASN 5 HB2 ASN 5 -5.197 -1.295 8.635 35 HB3 ASN 5 HB3 ASN 5 -4.348 0.230 8.854 36 HD21 ASN 5 HD21 ASN 5 -5.806 0.974 10.378 37 HD22 ASN 5 HD22 ASN 5 -7.414 1.465 9.964 38 H LYS 6 H LYS 6 -2.827 0.471 5.366 39 HA LYS 6 HA LYS 6 -3.013 3.291 5.797 40 HB2 LYS 6 HB2 LYS 6 -1.448 1.676 3.774 41 HB3 LYS 6 HB3 LYS 6 -1.282 3.409 3.998 42 HG2 LYS 6 HG2 LYS 6 -0.707 1.314 6.079 43 HG3 LYS 6 HG3 LYS 6 0.497 2.171 5.113 44 HD2 LYS 6 HD2 LYS 6 -0.331 4.304 6.065 45 HD3 LYS 6 HD3 LYS 6 -1.420 3.382 7.102 46 HE2 LYS 6 HE2 LYS 6 0.500 2.263 8.120 47 HE3 LYS 6 HE3 LYS 6 1.586 3.185 7.081 48 HZ1 LYS 6 HZ1 LYS 6 -0.205 4.313 9.109 49 HZ2 LYS 6 HZ2 LYS 6 0.752 5.186 8.130 50 HZ3 LYS 6 HZ3 LYS 6 1.412 4.189 9.231 51 H LYS 7 H LYS 7 -3.629 4.869 4.293 52 HA LYS 7 HA LYS 7 -5.723 3.940 2.486 53 HB2 LYS 7 HB2 LYS 7 -5.112 6.628 3.700 54 HB3 LYS 7 HB3 LYS 7 -6.262 6.447 2.386 55 HG2 LYS 7 HG2 LYS 7 -7.458 6.502 4.459 56 HG3 LYS 7 HG3 LYS 7 -7.562 4.874 3.791 57 HD2 LYS 7 HD2 LYS 7 -5.694 4.205 5.290 58 HD3 LYS 7 HD3 LYS 7 -5.762 5.808 6.024 59 HE2 LYS 7 HE2 LYS 7 -8.052 5.405 6.730 60 HE3 LYS 7 HE3 LYS 7 -8.034 3.828 5.941 61 HZ1 LYS 7 HZ1 LYS 7 -7.620 3.610 8.274 62 HZ2 LYS 7 HZ2 LYS 7 -6.354 4.624 8.212 63 HZ3 LYS 7 HZ3 LYS 7 -6.274 3.185 7.458 64 H CYS 8 H CYS 8 -5.856 4.552 0.364 65 HA CYS 8 HA CYS 8 -3.481 4.394 -1.087 66 HB2 CYS 8 HB2 CYS 8 -6.090 5.465 -2.158 67 HB3 CYS 8 HB3 CYS 8 -4.835 4.592 -3.035 68 H GLN 9 H GLN 9 -2.506 5.884 -2.570 69 HA GLN 9 HA GLN 9 -2.951 8.719 -1.934 70 HB2 GLN 9 HB2 GLN 9 -1.050 7.730 -0.598 71 HB3 GLN 9 HB3 GLN 9 -0.222 7.444 -2.120 72 HG2 GLN 9 HG2 GLN 9 -0.227 9.824 -2.597 73 HG3 GLN 9 HG3 GLN 9 -1.095 10.134 -1.097 74 HE21 GLN 9 HE21 GLN 9 1.447 7.759 -1.399 75 HE22 GLN 9 HE22 GLN 9 2.607 8.597 -0.429 76 H GLY 10 H GLY 10 -3.561 9.537 -3.836 77 HA2 GLY 10 HA2 GLY 10 -3.345 10.232 -6.029 78 HA3 GLY 10 HA3 GLY 10 -1.811 9.377 -6.108 79 H GLY 11 H GLY 11 -4.456 7.557 -4.970 80 HA2 GLY 11 HA2 GLY 11 -5.967 6.177 -6.135 81 HA3 GLY 11 HA3 GLY 11 -5.102 6.522 -7.624 82 H SER 12 H SER 12 -2.794 5.866 -5.370 83 HA SER 12 HA SER 12 -2.959 2.969 -5.539 84 HB2 SER 12 HB2 SER 12 -0.830 2.717 -6.660 85 HB3 SER 12 HB3 SER 12 -1.898 3.717 -7.641 86 HG SER 12 HG SER 12 -0.570 5.323 -7.457 87 H CYS 13 H CYS 13 -0.689 2.113 -4.617 88 HA CYS 13 HA CYS 13 0.026 3.803 -2.330 89 HB2 CYS 13 HB2 CYS 13 -0.779 0.896 -2.241 90 HB3 CYS 13 HB3 CYS 13 -0.030 1.753 -0.897 91 H ALA 14 H ALA 14 1.308 3.062 -4.902 92 HA ALA 14 HA ALA 14 3.417 1.254 -4.480 93 HB1 ALA 14 HB1 ALA 14 2.731 2.057 -6.698 94 HB2 ALA 14 HB2 ALA 14 4.458 2.282 -6.420 95 HB3 ALA 14 HB3 ALA 14 3.359 3.656 -6.303 96 H SER 15 H SER 15 3.296 4.795 -4.176 97 HA SER 15 HA SER 15 5.961 4.992 -3.180 98 HB2 SER 15 HB2 SER 15 3.721 7.019 -2.975 99 HB3 SER 15 HB3 SER 15 5.451 7.336 -2.828 100 HG SER 15 HG SER 15 4.018 7.395 -5.018 101 H VAL 16 H VAL 16 2.797 4.589 -1.773 102 HA VAL 16 HA VAL 16 3.415 5.219 0.905 103 HB VAL 16 HB VAL 16 1.378 3.252 -0.162 104 HG11 VAL 16 HG11 VAL 16 0.262 3.509 2.004 105 HG12 VAL 16 HG12 VAL 16 1.592 4.519 2.569 106 HG13 VAL 16 HG13 VAL 16 1.875 2.822 2.185 107 HG21 VAL 16 HG21 VAL 16 1.082 6.141 0.659 108 HG22 VAL 16 HG22 VAL 16 -0.227 5.073 0.152 109 HG23 VAL 16 HG23 VAL 16 1.038 5.522 -0.991 110 H CYS 17 H CYS 17 3.234 2.051 -0.714 111 HA CYS 17 HA CYS 17 4.252 0.610 1.486 112 HB2 CYS 17 HB2 CYS 17 4.050 -0.093 -1.441 113 HB3 CYS 17 HB3 CYS 17 4.517 -1.234 -0.184 114 H ARG 18 H ARG 18 5.784 2.392 -1.039 115 HA ARG 18 HA ARG 18 8.347 1.244 -0.946 116 HB2 ARG 18 HB2 ARG 18 7.565 2.848 -2.672 117 HB3 ARG 18 HB3 ARG 18 7.603 4.128 -1.471 118 HG2 ARG 18 HG2 ARG 18 10.008 3.850 -1.234 119 HG3 ARG 18 HG3 ARG 18 9.979 2.542 -2.418 120 HD2 ARG 18 HD2 ARG 18 9.200 4.065 -4.128 121 HD3 ARG 18 HD3 ARG 18 9.105 5.376 -2.954 122 HE ARG 18 HE ARG 18 11.723 4.400 -2.948 123 HH11 ARG 18 HH11 ARG 18 9.532 6.067 -5.103 124 HH12 ARG 18 HH12 ARG 18 10.795 6.894 -5.956 125 HH21 ARG 18 HH21 ARG 18 13.389 5.489 -4.053 126 HH22 ARG 18 HH22 ARG 18 12.995 6.577 -5.350 127 H LYS 19 H LYS 19 6.648 3.339 1.211 128 HA LYS 19 HA LYS 19 9.043 3.876 2.797 129 HB2 LYS 19 HB2 LYS 19 7.496 5.729 2.409 130 HB3 LYS 19 HB3 LYS 19 6.182 4.800 3.109 131 HG2 LYS 19 HG2 LYS 19 7.312 4.829 5.274 132 HG3 LYS 19 HG3 LYS 19 8.629 5.767 4.568 133 HD2 LYS 19 HD2 LYS 19 7.101 7.577 4.054 134 HD3 LYS 19 HD3 LYS 19 5.744 6.635 4.672 135 HE2 LYS 19 HE2 LYS 19 8.121 7.551 6.287 136 HE3 LYS 19 HE3 LYS 19 6.534 8.318 6.284 137 HZ1 LYS 19 HZ1 LYS 19 7.131 5.592 7.187 138 HZ2 LYS 19 HZ2 LYS 19 5.640 6.230 7.116 139 HZ3 LYS 19 HZ3 LYS 19 6.738 6.856 8.134 140 H VAL 20 H VAL 20 6.037 2.074 2.864 141 HA VAL 20 HA VAL 20 6.177 1.305 5.596 142 HB VAL 20 HB VAL 20 4.666 0.003 3.326 143 HG11 VAL 20 HG11 VAL 20 3.246 -0.954 5.087 144 HG12 VAL 20 HG12 VAL 20 4.327 -0.284 6.308 145 HG13 VAL 20 HG13 VAL 20 4.911 -1.523 5.198 146 HG21 VAL 20 HG21 VAL 20 2.738 1.262 4.170 147 HG22 VAL 20 HG22 VAL 20 4.033 2.335 3.639 148 HG23 VAL 20 HG23 VAL 20 3.776 2.047 5.361 149 H ILE 21 H ILE 21 6.603 -0.725 2.669 150 HA ILE 21 HA ILE 21 8.155 -2.578 4.324 151 HB ILE 21 HB ILE 21 7.942 -4.175 2.445 152 HG12 ILE 21 HG12 ILE 21 6.014 -2.182 1.250 153 HG13 ILE 21 HG13 ILE 21 7.663 -2.397 0.675 154 HG21 ILE 21 HG21 ILE 21 5.351 -3.042 3.483 155 HG22 ILE 21 HG22 ILE 21 6.369 -4.239 4.285 156 HG23 ILE 21 HG23 ILE 21 5.556 -4.643 2.772 157 HD11 ILE 21 HD11 ILE 21 5.558 -4.545 0.724 158 HD12 ILE 21 HD12 ILE 21 7.184 -4.681 0.057 159 HD13 ILE 21 HD13 ILE 21 6.013 -3.593 -0.688 160 H GLY 22 H GLY 22 8.444 -0.438 1.579 161 HA2 GLY 22 HA2 GLY 22 10.754 0.491 1.387 162 HA3 GLY 22 HA3 GLY 22 11.304 -1.174 1.410 163 H VAL 23 H VAL 23 9.099 -2.083 -0.271 164 HA VAL 23 HA VAL 23 10.328 -1.366 -2.806 165 HB VAL 23 HB VAL 23 8.058 -3.287 -2.614 166 HG11 VAL 23 HG11 VAL 23 10.578 -3.157 -4.240 167 HG12 VAL 23 HG12 VAL 23 8.945 -2.770 -4.781 168 HG13 VAL 23 HG13 VAL 23 9.365 -4.431 -4.362 169 HG21 VAL 23 HG21 VAL 23 9.483 -3.910 -0.735 170 HG22 VAL 23 HG22 VAL 23 10.888 -3.939 -1.801 171 HG23 VAL 23 HG23 VAL 23 9.585 -5.107 -2.026 172 H ALA 24 H ALA 24 9.149 -0.619 -4.586 173 HA ALA 24 HA ALA 24 6.950 1.114 -3.781 174 HB1 ALA 24 HB1 ALA 24 7.350 2.318 -5.842 175 HB2 ALA 24 HB2 ALA 24 8.480 1.074 -6.380 176 HB3 ALA 24 HB3 ALA 24 8.874 2.079 -4.986 177 H ALA 25 H ALA 25 6.129 -1.433 -3.794 178 HA ALA 25 HA ALA 25 4.351 -1.496 -6.139 179 HB1 ALA 25 HB1 ALA 25 5.435 -3.874 -4.636 180 HB2 ALA 25 HB2 ALA 25 5.934 -3.352 -6.245 181 HB3 ALA 25 HB3 ALA 25 4.289 -3.927 -5.976 182 H GLY 26 H GLY 26 2.396 -0.926 -5.518 183 HA2 GLY 26 HA2 GLY 26 1.073 -2.188 -3.317 184 HA3 GLY 26 HA3 GLY 26 1.501 -0.519 -2.961 185 H LYS 27 H LYS 27 -0.997 -2.304 -3.820 186 HA LYS 27 HA LYS 27 -2.037 -0.401 -5.810 187 HB2 LYS 27 HB2 LYS 27 -2.956 -3.211 -5.173 188 HB3 LYS 27 HB3 LYS 27 -3.698 -2.149 -6.362 189 HG2 LYS 27 HG2 LYS 27 -1.605 -2.115 -7.629 190 HG3 LYS 27 HG3 LYS 27 -0.882 -3.208 -6.446 191 HD2 LYS 27 HD2 LYS 27 -1.591 -4.513 -8.326 192 HD3 LYS 27 HD3 LYS 27 -2.677 -4.859 -6.980 193 HE2 LYS 27 HE2 LYS 27 -4.347 -3.364 -7.912 194 HE3 LYS 27 HE3 LYS 27 -3.252 -2.920 -9.219 195 HZ1 LYS 27 HZ1 LYS 27 -4.769 -4.546 -9.993 196 HZ2 LYS 27 HZ2 LYS 27 -4.448 -5.558 -8.764 197 HZ3 LYS 27 HZ3 LYS 27 -3.311 -5.263 -9.887 198 H CYS 28 H CYS 28 -4.426 -0.058 -5.670 199 HA CYS 28 HA CYS 28 -5.060 0.615 -2.886 200 HB2 CYS 28 HB2 CYS 28 -4.975 2.470 -4.505 201 HB3 CYS 28 HB3 CYS 28 -6.214 1.681 -5.473 202 H ILE 29 H ILE 29 -6.105 -1.100 -2.019 203 HA ILE 29 HA ILE 29 -8.390 -2.207 -3.522 204 HB ILE 29 HB ILE 29 -6.830 -3.435 -1.244 205 HG12 ILE 29 HG12 ILE 29 -7.043 -4.212 -4.160 206 HG13 ILE 29 HG13 ILE 29 -5.638 -3.481 -3.389 207 HG21 ILE 29 HG21 ILE 29 -8.221 -5.425 -1.619 208 HG22 ILE 29 HG22 ILE 29 -9.186 -4.519 -2.784 209 HG23 ILE 29 HG23 ILE 29 -9.171 -4.040 -1.086 210 HD11 ILE 29 HD11 ILE 29 -5.332 -5.865 -3.678 211 HD12 ILE 29 HD12 ILE 29 -6.800 -6.181 -2.754 212 HD13 ILE 29 HD13 ILE 29 -5.402 -5.452 -1.966 213 H ASN 30 H ASN 30 -10.171 -1.146 -2.941 214 HA ASN 30 HA ASN 30 -11.858 -0.288 -1.714 215 HB2 ASN 30 HB2 ASN 30 -10.812 -2.202 0.379 216 HB3 ASN 30 HB3 ASN 30 -12.376 -1.410 0.408 217 HD21 ASN 30 HD21 ASN 30 -11.683 -4.245 0.365 218 HD22 ASN 30 HD22 ASN 30 -12.493 -4.908 -1.003 219 H GLY 31 H GLY 31 -9.309 1.091 -1.628 220 HA2 GLY 31 HA2 GLY 31 -8.769 3.134 -0.627 221 HA3 GLY 31 HA3 GLY 31 -9.868 2.755 0.689 222 H ARG 32 H ARG 32 -8.067 0.059 0.296 223 HA ARG 32 HA ARG 32 -6.161 0.909 2.363 224 HB2 ARG 32 HB2 ARG 32 -7.429 -1.739 1.737 225 HB3 ARG 32 HB3 ARG 32 -5.916 -1.670 2.629 226 HG2 ARG 32 HG2 ARG 32 -7.707 -1.845 4.191 227 HG3 ARG 32 HG3 ARG 32 -7.039 -0.219 4.304 228 HD2 ARG 32 HD2 ARG 32 -8.861 0.625 2.910 229 HD3 ARG 32 HD3 ARG 32 -9.527 -1.004 2.797 230 HE ARG 32 HE ARG 32 -9.302 -0.416 5.497 231 HH11 ARG 32 HH11 ARG 32 -11.040 0.794 2.713 232 HH12 ARG 32 HH12 ARG 32 -12.392 1.357 3.646 233 HH21 ARG 32 HH21 ARG 32 -11.089 0.325 6.729 234 HH22 ARG 32 HH22 ARG 32 -12.425 1.083 5.918 235 H CYS 33 H CYS 33 -4.031 -0.041 2.305 236 HA CYS 33 HA CYS 33 -3.030 -0.053 -0.442 237 HB2 CYS 33 HB2 CYS 33 -1.701 0.537 2.200 238 HB3 CYS 33 HB3 CYS 33 -0.822 0.426 0.678 239 H VAL 34 H VAL 34 -2.793 -2.021 -1.250 240 HA VAL 34 HA VAL 34 -1.816 -4.166 0.466 241 HB VAL 34 HB VAL 34 -3.664 -4.760 -0.992 242 HG11 VAL 34 HG11 VAL 34 -1.870 -3.959 -3.254 243 HG12 VAL 34 HG12 VAL 34 -3.380 -3.188 -2.773 244 HG13 VAL 34 HG13 VAL 34 -3.394 -4.825 -3.431 245 HG21 VAL 34 HG21 VAL 34 -2.711 -6.724 -2.086 246 HG22 VAL 34 HG22 VAL 34 -2.043 -6.492 -0.470 247 HG23 VAL 34 HG23 VAL 34 -1.095 -6.044 -1.888 248 H CYS 35 H CYS 35 0.266 -4.173 0.777 249 HA CYS 35 HA CYS 35 2.087 -3.137 -1.217 250 HB2 CYS 35 HB2 CYS 35 2.623 -4.319 1.516 251 HB3 CYS 35 HB3 CYS 35 3.798 -3.480 0.508 252 H TYR 36 H TYR 36 3.506 -4.286 -2.421 253 HA TYR 36 HA TYR 36 3.359 -7.220 -2.171 254 HB2 TYR 36 HB2 TYR 36 3.556 -5.486 -4.629 255 HB3 TYR 36 HB3 TYR 36 3.974 -7.197 -4.656 256 HD1 TYR 36 HD1 TYR 36 2.291 -8.873 -4.666 257 HD2 TYR 36 HD2 TYR 36 1.204 -4.795 -4.151 258 HE1 TYR 36 HE1 TYR 36 -0.063 -9.463 -5.018 259 HE2 TYR 36 HE2 TYR 36 -1.160 -5.377 -4.493 260 HH TYR 36 HH TYR 36 -2.433 -7.255 -5.697 261 HA PRO 37 HA PRO 37 7.697 -6.368 -1.287 262 HB2 PRO 37 HB2 PRO 37 8.136 -8.715 0.013 263 HB3 PRO 37 HB3 PRO 37 7.440 -7.287 0.781 264 HG2 PRO 37 HG2 PRO 37 6.110 -9.766 -0.162 265 HG3 PRO 37 HG3 PRO 37 5.712 -8.719 1.208 266 HD2 PRO 37 HD2 PRO 37 4.388 -8.736 -1.220 267 HD3 PRO 37 HD3 PRO 37 4.361 -7.403 -0.051 Start of MODEL 4 1 H PCA 1 H PCA 1 0.677 -11.209 0.621 2 HA PCA 1 HA PCA 1 1.415 -8.948 -0.654 3 HB2 PCA 1 HB2 PCA 1 -0.193 -8.590 -2.195 4 HB3 PCA 1 HB3 PCA 1 -1.418 -8.716 -0.927 5 HG2 PCA 1 HG2 PCA 1 -0.798 -10.647 -2.966 6 HG3 PCA 1 HG3 PCA 1 -1.977 -10.807 -1.635 7 HT2 PCA 1 HT2 PCA 1 1.780 -11.025 -0.510 8 H ILE 2 H ILE 2 0.632 -7.103 0.582 9 HA ILE 2 HA ILE 2 -0.574 -7.918 3.150 10 HB ILE 2 HB ILE 2 1.540 -5.785 2.820 11 HG12 ILE 2 HG12 ILE 2 1.826 -8.576 3.955 12 HG13 ILE 2 HG13 ILE 2 2.432 -8.062 2.385 13 HG21 ILE 2 HG21 ILE 2 0.017 -5.426 4.693 14 HG22 ILE 2 HG22 ILE 2 1.630 -5.850 5.264 15 HG23 ILE 2 HG23 ILE 2 0.343 -7.055 5.281 16 HD11 ILE 2 HD11 ILE 2 4.200 -8.124 4.048 17 HD12 ILE 2 HD12 ILE 2 3.310 -6.980 5.052 18 HD13 ILE 2 HD13 ILE 2 3.926 -6.478 3.477 19 H GLU 3 H GLU 3 -2.637 -7.188 2.748 20 HA GLU 3 HA GLU 3 -3.202 -4.538 1.837 21 HB2 GLU 3 HB2 GLU 3 -4.879 -6.630 3.217 22 HB3 GLU 3 HB3 GLU 3 -5.514 -5.062 2.736 23 HG2 GLU 3 HG2 GLU 3 -5.195 -5.529 0.447 24 HG3 GLU 3 HG3 GLU 3 -4.215 -6.951 0.799 25 H THR 4 H THR 4 -2.042 -3.135 3.109 26 HA THR 4 HA THR 4 -2.189 -3.178 5.973 27 HB THR 4 HB THR 4 -0.964 -1.038 5.853 28 HG1 THR 4 HG1 THR 4 -1.222 -1.352 3.024 29 HG21 THR 4 HG21 THR 4 1.057 -1.875 4.750 30 HG22 THR 4 HG22 THR 4 0.106 -3.134 3.959 31 HG23 THR 4 HG23 THR 4 0.290 -3.138 5.714 32 H ASN 5 H ASN 5 -3.095 -1.456 7.270 33 HA ASN 5 HA ASN 5 -5.724 -0.704 6.319 34 HB2 ASN 5 HB2 ASN 5 -5.194 -1.610 8.642 35 HB3 ASN 5 HB3 ASN 5 -4.490 -0.040 8.996 36 HD21 ASN 5 HD21 ASN 5 -7.413 -1.794 8.348 37 HD22 ASN 5 HD22 ASN 5 -8.509 -0.572 8.887 38 H LYS 6 H LYS 6 -3.619 0.533 4.948 39 HA LYS 6 HA LYS 6 -3.810 3.342 5.811 40 HB2 LYS 6 HB2 LYS 6 -1.762 2.030 4.006 41 HB3 LYS 6 HB3 LYS 6 -1.779 3.724 4.472 42 HG2 LYS 6 HG2 LYS 6 -1.402 3.112 6.790 43 HG3 LYS 6 HG3 LYS 6 -1.442 1.403 6.356 44 HD2 LYS 6 HD2 LYS 6 0.509 1.732 4.908 45 HD3 LYS 6 HD3 LYS 6 0.555 3.436 5.365 46 HE2 LYS 6 HE2 LYS 6 0.809 1.138 7.294 47 HE3 LYS 6 HE3 LYS 6 2.174 2.014 6.605 48 HZ1 LYS 6 HZ1 LYS 6 0.075 3.200 8.281 49 HZ2 LYS 6 HZ2 LYS 6 1.341 3.999 7.654 50 HZ3 LYS 6 HZ3 LYS 6 1.586 2.845 8.772 51 H LYS 7 H LYS 7 -4.193 4.920 4.157 52 HA LYS 7 HA LYS 7 -5.887 3.867 2.034 53 HB2 LYS 7 HB2 LYS 7 -5.655 6.471 3.454 54 HB3 LYS 7 HB3 LYS 7 -6.241 6.500 1.799 55 HG2 LYS 7 HG2 LYS 7 -8.086 6.415 3.372 56 HG3 LYS 7 HG3 LYS 7 -8.028 4.945 2.400 57 HD2 LYS 7 HD2 LYS 7 -6.756 3.885 4.308 58 HD3 LYS 7 HD3 LYS 7 -7.170 5.309 5.263 59 HE2 LYS 7 HE2 LYS 7 -9.126 3.434 3.940 60 HE3 LYS 7 HE3 LYS 7 -8.733 3.467 5.657 61 HZ1 LYS 7 HZ1 LYS 7 -10.750 4.663 5.174 62 HZ2 LYS 7 HZ2 LYS 7 -9.969 5.669 4.167 63 HZ3 LYS 7 HZ3 LYS 7 -9.622 5.680 5.756 64 H CYS 8 H CYS 8 -5.531 4.144 -0.082 65 HA CYS 8 HA CYS 8 -2.917 4.270 -1.004 66 HB2 CYS 8 HB2 CYS 8 -4.129 4.639 -3.291 67 HB3 CYS 8 HB3 CYS 8 -4.312 3.122 -2.421 68 H GLN 9 H GLN 9 -1.804 5.729 -2.315 69 HA GLN 9 HA GLN 9 -2.214 8.473 -1.427 70 HB2 GLN 9 HB2 GLN 9 -0.002 7.206 -1.248 71 HB3 GLN 9 HB3 GLN 9 0.121 7.372 -2.992 72 HG2 GLN 9 HG2 GLN 9 1.403 9.118 -2.131 73 HG3 GLN 9 HG3 GLN 9 -0.116 9.874 -2.609 74 HE21 GLN 9 HE21 GLN 9 -1.560 10.547 -1.008 75 HE22 GLN 9 HE22 GLN 9 -1.064 10.762 0.633 76 H GLY 10 H GLY 10 -4.149 8.385 -2.991 77 HA2 GLY 10 HA2 GLY 10 -5.019 9.543 -4.800 78 HA3 GLY 10 HA3 GLY 10 -3.379 9.902 -5.318 79 H GLY 11 H GLY 11 -5.006 6.795 -4.764 80 HA2 GLY 11 HA2 GLY 11 -5.899 5.585 -6.722 81 HA3 GLY 11 HA3 GLY 11 -4.499 6.170 -7.609 82 H SER 12 H SER 12 -2.341 5.516 -6.564 83 HA SER 12 HA SER 12 -2.555 2.665 -5.871 84 HB2 SER 12 HB2 SER 12 -0.199 4.093 -7.112 85 HB3 SER 12 HB3 SER 12 -0.399 2.351 -6.906 86 HG SER 12 HG SER 12 -2.516 3.137 -8.212 87 H CYS 13 H CYS 13 -0.398 1.934 -4.731 88 HA CYS 13 HA CYS 13 0.120 3.843 -2.546 89 HB2 CYS 13 HB2 CYS 13 -0.239 0.848 -2.340 90 HB3 CYS 13 HB3 CYS 13 0.200 1.911 -1.008 91 H ALA 14 H ALA 14 1.639 3.359 -4.976 92 HA ALA 14 HA ALA 14 3.841 1.675 -4.565 93 HB1 ALA 14 HB1 ALA 14 3.233 2.696 -6.738 94 HB2 ALA 14 HB2 ALA 14 4.936 2.907 -6.326 95 HB3 ALA 14 HB3 ALA 14 3.811 4.249 -6.135 96 H SER 15 H SER 15 3.493 5.160 -3.938 97 HA SER 15 HA SER 15 6.050 5.485 -2.774 98 HB2 SER 15 HB2 SER 15 3.597 7.172 -2.245 99 HB3 SER 15 HB3 SER 15 5.287 7.669 -2.143 100 HG SER 15 HG SER 15 5.457 7.574 -4.337 101 H VAL 16 H VAL 16 2.873 4.749 -1.437 102 HA VAL 16 HA VAL 16 3.476 5.118 1.280 103 HB VAL 16 HB VAL 16 1.473 3.206 0.064 104 HG11 VAL 16 HG11 VAL 16 0.296 3.418 2.213 105 HG12 VAL 16 HG12 VAL 16 1.635 4.380 2.837 106 HG13 VAL 16 HG13 VAL 16 1.894 2.693 2.396 107 HG21 VAL 16 HG21 VAL 16 1.115 5.476 -0.717 108 HG22 VAL 16 HG22 VAL 16 1.147 6.072 0.942 109 HG23 VAL 16 HG23 VAL 16 -0.156 5.008 0.412 110 H CYS 17 H CYS 17 3.336 2.102 -0.616 111 HA CYS 17 HA CYS 17 4.340 0.485 1.471 112 HB2 CYS 17 HB2 CYS 17 4.237 0.006 -1.512 113 HB3 CYS 17 HB3 CYS 17 4.588 -1.226 -0.303 114 H ARG 18 H ARG 18 5.871 2.415 -0.981 115 HA ARG 18 HA ARG 18 8.443 1.259 -0.889 116 HB2 ARG 18 HB2 ARG 18 7.669 2.862 -2.623 117 HB3 ARG 18 HB3 ARG 18 7.706 4.142 -1.420 118 HG2 ARG 18 HG2 ARG 18 10.117 3.826 -1.162 119 HG3 ARG 18 HG3 ARG 18 10.073 2.554 -2.384 120 HD2 ARG 18 HD2 ARG 18 10.799 4.655 -3.362 121 HD3 ARG 18 HD3 ARG 18 9.242 4.165 -4.026 122 HE ARG 18 HE ARG 18 9.128 5.988 -1.777 123 HH11 ARG 18 HH11 ARG 18 9.189 5.676 -5.270 124 HH12 ARG 18 HH12 ARG 18 8.453 7.224 -5.538 125 HH21 ARG 18 HH21 ARG 18 8.186 8.014 -2.136 126 HH22 ARG 18 HH22 ARG 18 7.890 8.558 -3.761 127 H LYS 19 H LYS 19 6.767 3.518 1.154 128 HA LYS 19 HA LYS 19 9.105 4.200 2.705 129 HB2 LYS 19 HB2 LYS 19 7.308 5.834 2.370 130 HB3 LYS 19 HB3 LYS 19 6.161 4.754 3.147 131 HG2 LYS 19 HG2 LYS 19 6.760 6.452 4.702 132 HG3 LYS 19 HG3 LYS 19 7.497 4.944 5.237 133 HD2 LYS 19 HD2 LYS 19 9.627 5.654 4.236 134 HD3 LYS 19 HD3 LYS 19 8.873 7.172 3.746 135 HE2 LYS 19 HE2 LYS 19 8.413 7.690 6.098 136 HE3 LYS 19 HE3 LYS 19 9.189 6.183 6.577 137 HZ1 LYS 19 HZ1 LYS 19 10.505 8.426 5.224 138 HZ2 LYS 19 HZ2 LYS 19 11.228 7.028 5.625 139 HZ3 LYS 19 HZ3 LYS 19 10.683 8.021 6.791 140 H VAL 20 H VAL 20 6.424 1.962 2.866 141 HA VAL 20 HA VAL 20 6.866 1.282 5.634 142 HB VAL 20 HB VAL 20 5.093 -0.064 3.588 143 HG11 VAL 20 HG11 VAL 20 5.128 -0.291 6.598 144 HG12 VAL 20 HG12 VAL 20 5.624 -1.539 5.454 145 HG13 VAL 20 HG13 VAL 20 3.939 -1.028 5.522 146 HG21 VAL 20 HG21 VAL 20 4.459 2.259 3.941 147 HG22 VAL 20 HG22 VAL 20 4.440 2.004 5.686 148 HG23 VAL 20 HG23 VAL 20 3.268 1.175 4.660 149 H ILE 21 H ILE 21 6.949 -0.709 2.646 150 HA ILE 21 HA ILE 21 8.670 -2.590 4.100 151 HB ILE 21 HB ILE 21 8.145 -4.216 2.325 152 HG12 ILE 21 HG12 ILE 21 6.215 -2.122 1.300 153 HG13 ILE 21 HG13 ILE 21 7.736 -2.541 0.520 154 HG21 ILE 21 HG21 ILE 21 6.794 -4.178 4.334 155 HG22 ILE 21 HG22 ILE 21 5.786 -4.566 2.939 156 HG23 ILE 21 HG23 ILE 21 5.745 -2.946 3.633 157 HD11 ILE 21 HD11 ILE 21 5.819 -3.612 -0.548 158 HD12 ILE 21 HD12 ILE 21 5.435 -4.426 0.969 159 HD13 ILE 21 HD13 ILE 21 6.939 -4.795 0.127 160 H GLY 22 H GLY 22 8.893 -0.144 1.812 161 HA2 GLY 22 HA2 GLY 22 10.945 0.663 1.002 162 HA3 GLY 22 HA3 GLY 22 11.658 -0.915 1.290 163 H VAL 23 H VAL 23 8.783 -1.407 -0.262 164 HA VAL 23 HA VAL 23 10.109 -1.379 -2.893 165 HB VAL 23 HB VAL 23 7.798 -3.176 -2.337 166 HG11 VAL 23 HG11 VAL 23 8.525 -2.900 -4.618 167 HG12 VAL 23 HG12 VAL 23 8.863 -4.541 -4.070 168 HG13 VAL 23 HG13 VAL 23 10.168 -3.360 -4.173 169 HG21 VAL 23 HG21 VAL 23 9.346 -3.673 -0.523 170 HG22 VAL 23 HG22 VAL 23 10.662 -3.854 -1.681 171 HG23 VAL 23 HG23 VAL 23 9.317 -4.994 -1.690 172 H ALA 24 H ALA 24 8.903 -0.704 -4.644 173 HA ALA 24 HA ALA 24 6.740 1.107 -3.882 174 HB1 ALA 24 HB1 ALA 24 7.139 2.226 -6.003 175 HB2 ALA 24 HB2 ALA 24 8.303 0.982 -6.456 176 HB3 ALA 24 HB3 ALA 24 8.644 2.054 -5.099 177 H ALA 25 H ALA 25 6.123 -1.614 -3.973 178 HA ALA 25 HA ALA 25 4.258 -1.660 -6.249 179 HB1 ALA 25 HB1 ALA 25 5.317 -4.010 -4.684 180 HB2 ALA 25 HB2 ALA 25 5.845 -3.527 -6.297 181 HB3 ALA 25 HB3 ALA 25 4.190 -4.079 -6.038 182 H GLY 26 H GLY 26 2.347 -0.993 -5.601 183 HA2 GLY 26 HA2 GLY 26 1.013 -2.193 -3.370 184 HA3 GLY 26 HA3 GLY 26 1.498 -0.535 -3.041 185 H LYS 27 H LYS 27 -1.086 -2.173 -3.719 186 HA LYS 27 HA LYS 27 -2.163 -0.202 -5.630 187 HB2 LYS 27 HB2 LYS 27 -2.998 -3.084 -5.245 188 HB3 LYS 27 HB3 LYS 27 -3.752 -1.943 -6.350 189 HG2 LYS 27 HG2 LYS 27 -1.699 -1.773 -7.618 190 HG3 LYS 27 HG3 LYS 27 -0.887 -2.855 -6.488 191 HD2 LYS 27 HD2 LYS 27 -1.530 -4.093 -8.457 192 HD3 LYS 27 HD3 LYS 27 -2.506 -4.630 -7.090 193 HE2 LYS 27 HE2 LYS 27 -3.881 -4.381 -9.079 194 HE3 LYS 27 HE3 LYS 27 -4.345 -3.206 -7.854 195 HZ1 LYS 27 HZ1 LYS 27 -4.202 -2.229 -10.043 196 HZ2 LYS 27 HZ2 LYS 27 -2.633 -2.633 -10.165 197 HZ3 LYS 27 HZ3 LYS 27 -3.105 -1.554 -9.049 198 H CYS 28 H CYS 28 -4.616 -0.031 -5.401 199 HA CYS 28 HA CYS 28 -5.174 0.245 -2.526 200 HB2 CYS 28 HB2 CYS 28 -5.157 2.311 -4.016 201 HB3 CYS 28 HB3 CYS 28 -6.618 1.672 -4.757 202 H ILE 29 H ILE 29 -6.468 -1.216 -1.705 203 HA ILE 29 HA ILE 29 -8.629 -2.325 -3.379 204 HB ILE 29 HB ILE 29 -7.179 -3.626 -1.065 205 HG12 ILE 29 HG12 ILE 29 -7.308 -4.360 -3.999 206 HG13 ILE 29 HG13 ILE 29 -5.927 -3.628 -3.189 207 HG21 ILE 29 HG21 ILE 29 -9.550 -4.173 -1.027 208 HG22 ILE 29 HG22 ILE 29 -8.591 -5.576 -1.495 209 HG23 ILE 29 HG23 ILE 29 -9.476 -4.666 -2.718 210 HD11 ILE 29 HD11 ILE 29 -5.710 -5.608 -1.779 211 HD12 ILE 29 HD12 ILE 29 -5.601 -6.011 -3.493 212 HD13 ILE 29 HD13 ILE 29 -7.086 -6.341 -2.602 213 H ASN 30 H ASN 30 -10.399 -1.213 -2.858 214 HA ASN 30 HA ASN 30 -12.067 -0.227 -1.699 215 HB2 ASN 30 HB2 ASN 30 -11.276 -2.294 0.357 216 HB3 ASN 30 HB3 ASN 30 -12.746 -1.335 0.406 217 HD21 ASN 30 HD21 ASN 30 -12.377 -4.222 0.232 218 HD22 ASN 30 HD22 ASN 30 -13.217 -4.719 -1.186 219 H GLY 31 H GLY 31 -9.595 1.090 -1.547 220 HA2 GLY 31 HA2 GLY 31 -8.996 3.070 -0.476 221 HA3 GLY 31 HA3 GLY 31 -10.091 2.667 0.836 222 H ARG 32 H ARG 32 -8.213 0.000 0.236 223 HA ARG 32 HA ARG 32 -6.338 0.772 2.365 224 HB2 ARG 32 HB2 ARG 32 -7.523 -1.877 1.585 225 HB3 ARG 32 HB3 ARG 32 -6.015 -1.810 2.483 226 HG2 ARG 32 HG2 ARG 32 -7.751 -2.137 4.051 227 HG3 ARG 32 HG3 ARG 32 -7.211 -0.468 4.223 228 HD2 ARG 32 HD2 ARG 32 -9.119 0.322 2.973 229 HD3 ARG 32 HD3 ARG 32 -9.625 -1.334 2.637 230 HE ARG 32 HE ARG 32 -9.419 -0.916 5.427 231 HH11 ARG 32 HH11 ARG 32 -11.473 -0.117 2.696 232 HH12 ARG 32 HH12 ARG 32 -12.911 -0.006 3.661 233 HH21 ARG 32 HH21 ARG 32 -11.296 -0.750 6.688 234 HH22 ARG 32 HH22 ARG 32 -12.809 -0.363 5.934 235 H CYS 33 H CYS 33 -4.178 -0.140 2.251 236 HA CYS 33 HA CYS 33 -3.205 -0.061 -0.511 237 HB2 CYS 33 HB2 CYS 33 -1.988 0.710 2.118 238 HB3 CYS 33 HB3 CYS 33 -0.956 0.341 0.740 239 H VAL 34 H VAL 34 -3.033 -2.060 -1.292 240 HA VAL 34 HA VAL 34 -1.985 -4.179 0.399 241 HB VAL 34 HB VAL 34 -3.814 -4.816 -1.035 242 HG11 VAL 34 HG11 VAL 34 -3.663 -3.233 -2.805 243 HG12 VAL 34 HG12 VAL 34 -3.557 -4.849 -3.504 244 HG13 VAL 34 HG13 VAL 34 -2.101 -3.872 -3.311 245 HG21 VAL 34 HG21 VAL 34 -2.166 -6.521 -0.585 246 HG22 VAL 34 HG22 VAL 34 -1.218 -6.005 -1.980 247 HG23 VAL 34 HG23 VAL 34 -2.813 -6.721 -2.213 248 H CYS 35 H CYS 35 0.092 -4.043 0.744 249 HA CYS 35 HA CYS 35 1.919 -3.093 -1.279 250 HB2 CYS 35 HB2 CYS 35 2.392 -4.166 1.509 251 HB3 CYS 35 HB3 CYS 35 3.634 -3.467 0.474 252 H TYR 36 H TYR 36 3.284 -4.266 -2.486 253 HA TYR 36 HA TYR 36 3.087 -7.200 -2.238 254 HB2 TYR 36 HB2 TYR 36 3.332 -5.424 -4.658 255 HB3 TYR 36 HB3 TYR 36 3.760 -7.129 -4.724 256 HD1 TYR 36 HD1 TYR 36 0.941 -4.791 -4.055 257 HD2 TYR 36 HD2 TYR 36 2.106 -8.781 -4.968 258 HE1 TYR 36 HE1 TYR 36 -1.398 -5.367 -4.509 259 HE2 TYR 36 HE2 TYR 36 -0.234 -9.365 -5.419 260 HH TYR 36 HH TYR 36 -2.710 -6.978 -5.690 261 HA PRO 37 HA PRO 37 7.526 -6.561 -1.419 262 HB2 PRO 37 HB2 PRO 37 7.293 -9.236 -0.251 263 HB3 PRO 37 HB3 PRO 37 7.811 -7.729 0.509 264 HG2 PRO 37 HG2 PRO 37 5.463 -8.909 1.121 265 HG3 PRO 37 HG3 PRO 37 5.669 -7.148 1.129 266 HD2 PRO 37 HD2 PRO 37 4.430 -8.901 -0.967 267 HD3 PRO 37 HD3 PRO 37 3.872 -7.337 -0.334 Start of MODEL 5 1 H PCA 1 H PCA 1 0.747 -11.239 0.301 2 HA PCA 1 HA PCA 1 1.468 -8.915 -0.899 3 HB2 PCA 1 HB2 PCA 1 -0.293 -8.338 -2.182 4 HB3 PCA 1 HB3 PCA 1 -1.415 -8.712 -0.868 5 HG2 PCA 1 HG2 PCA 1 -0.739 -10.332 -3.192 6 HG3 PCA 1 HG3 PCA 1 -1.974 -10.644 -1.940 7 HT2 PCA 1 HT2 PCA 1 1.805 -10.998 -0.863 8 H ILE 2 H ILE 2 0.767 -7.116 0.458 9 HA ILE 2 HA ILE 2 -0.152 -8.008 3.117 10 HB ILE 2 HB ILE 2 1.856 -5.808 2.609 11 HG12 ILE 2 HG12 ILE 2 2.357 -8.599 3.674 12 HG13 ILE 2 HG13 ILE 2 2.775 -8.052 2.053 13 HG21 ILE 2 HG21 ILE 2 0.928 -7.138 5.151 14 HG22 ILE 2 HG22 ILE 2 0.535 -5.502 4.625 15 HG23 ILE 2 HG23 ILE 2 2.198 -5.921 5.040 16 HD11 ILE 2 HD11 ILE 2 4.296 -6.395 3.016 17 HD12 ILE 2 HD12 ILE 2 4.717 -8.037 3.494 18 HD13 ILE 2 HD13 ILE 2 3.890 -6.973 4.630 19 H GLU 3 H GLU 3 -2.280 -7.329 2.828 20 HA GLU 3 HA GLU 3 -2.925 -4.659 2.065 21 HB2 GLU 3 HB2 GLU 3 -4.589 -6.679 3.578 22 HB3 GLU 3 HB3 GLU 3 -5.190 -5.173 2.901 23 HG2 GLU 3 HG2 GLU 3 -5.815 -6.642 1.274 24 HG3 GLU 3 HG3 GLU 3 -4.236 -6.153 0.671 25 H THR 4 H THR 4 -2.490 -2.939 3.221 26 HA THR 4 HA THR 4 -2.287 -3.162 6.145 27 HB THR 4 HB THR 4 -1.036 -1.007 5.999 28 HG1 THR 4 HG1 THR 4 -0.612 -1.321 3.271 29 HG21 THR 4 HG21 THR 4 0.175 -3.137 6.048 30 HG22 THR 4 HG22 THR 4 1.018 -1.950 5.051 31 HG23 THR 4 HG23 THR 4 0.078 -3.236 4.290 32 H ASN 5 H ASN 5 -3.114 -1.341 7.410 33 HA ASN 5 HA ASN 5 -5.691 -0.492 6.371 34 HB2 ASN 5 HB2 ASN 5 -5.297 -1.431 8.727 35 HB3 ASN 5 HB3 ASN 5 -4.582 0.133 9.106 36 HD21 ASN 5 HD21 ASN 5 -7.500 -1.553 8.237 37 HD22 ASN 5 HD22 ASN 5 -8.599 -0.299 8.708 38 H LYS 6 H LYS 6 -3.926 0.690 4.877 39 HA LYS 6 HA LYS 6 -3.886 3.478 5.811 40 HB2 LYS 6 HB2 LYS 6 -1.742 1.971 4.309 41 HB3 LYS 6 HB3 LYS 6 -1.788 3.728 4.404 42 HG2 LYS 6 HG2 LYS 6 -1.597 3.632 6.814 43 HG3 LYS 6 HG3 LYS 6 -1.634 1.870 6.766 44 HD2 LYS 6 HD2 LYS 6 0.456 1.815 5.567 45 HD3 LYS 6 HD3 LYS 6 0.469 3.576 5.438 46 HE2 LYS 6 HE2 LYS 6 0.675 3.792 7.830 47 HE3 LYS 6 HE3 LYS 6 0.517 2.049 8.036 48 HZ1 LYS 6 HZ1 LYS 6 2.806 2.810 8.137 49 HZ2 LYS 6 HZ2 LYS 6 2.716 3.361 6.611 50 HZ3 LYS 6 HZ3 LYS 6 2.582 1.770 6.905 51 H LYS 7 H LYS 7 -3.953 5.058 4.081 52 HA LYS 7 HA LYS 7 -5.840 4.224 2.044 53 HB2 LYS 7 HB2 LYS 7 -4.717 6.960 2.679 54 HB3 LYS 7 HB3 LYS 7 -6.122 6.617 1.680 55 HG2 LYS 7 HG2 LYS 7 -7.451 6.101 3.472 56 HG3 LYS 7 HG3 LYS 7 -6.082 5.640 4.487 57 HD2 LYS 7 HD2 LYS 7 -5.404 8.014 4.560 58 HD3 LYS 7 HD3 LYS 7 -6.875 8.430 3.675 59 HE2 LYS 7 HE2 LYS 7 -7.198 8.782 6.053 60 HE3 LYS 7 HE3 LYS 7 -8.214 7.456 5.491 61 HZ1 LYS 7 HZ1 LYS 7 -6.573 5.932 6.358 62 HZ2 LYS 7 HZ2 LYS 7 -7.116 6.903 7.540 63 HZ3 LYS 7 HZ3 LYS 7 -5.651 7.163 6.892 64 H CYS 8 H CYS 8 -5.559 4.525 -0.175 65 HA CYS 8 HA CYS 8 -2.794 4.327 -1.059 66 HB2 CYS 8 HB2 CYS 8 -3.771 3.664 -3.216 67 HB3 CYS 8 HB3 CYS 8 -4.419 2.695 -1.899 68 H GLN 9 H GLN 9 -2.313 5.397 -3.222 69 HA GLN 9 HA GLN 9 -2.949 8.239 -2.995 70 HB2 GLN 9 HB2 GLN 9 -0.754 6.653 -4.253 71 HB3 GLN 9 HB3 GLN 9 -1.108 8.242 -4.907 72 HG2 GLN 9 HG2 GLN 9 0.656 8.454 -3.321 73 HG3 GLN 9 HG3 GLN 9 -0.791 9.183 -2.631 74 HE21 GLN 9 HE21 GLN 9 -0.097 8.972 -0.542 75 HE22 GLN 9 HE22 GLN 9 0.001 7.446 0.263 76 H GLY 10 H GLY 10 -4.858 6.275 -4.091 77 HA2 GLY 10 HA2 GLY 10 -6.487 6.534 -5.749 78 HA3 GLY 10 HA3 GLY 10 -5.419 7.648 -6.592 79 H GLY 11 H GLY 11 -6.285 4.317 -6.091 80 HA2 GLY 11 HA2 GLY 11 -6.203 2.667 -7.751 81 HA3 GLY 11 HA3 GLY 11 -5.083 3.666 -8.662 82 H SER 12 H SER 12 -3.095 4.110 -6.806 83 HA SER 12 HA SER 12 -2.141 1.391 -6.234 84 HB2 SER 12 HB2 SER 12 -0.538 3.625 -7.483 85 HB3 SER 12 HB3 SER 12 0.092 2.048 -7.007 86 HG SER 12 HG SER 12 -1.408 2.771 -9.206 87 H CYS 13 H CYS 13 -0.079 1.492 -4.903 88 HA CYS 13 HA CYS 13 -0.165 3.628 -2.898 89 HB2 CYS 13 HB2 CYS 13 -1.572 1.715 -2.127 90 HB3 CYS 13 HB3 CYS 13 -0.161 0.672 -2.244 91 H ALA 14 H ALA 14 1.610 3.267 -4.998 92 HA ALA 14 HA ALA 14 3.844 1.662 -4.521 93 HB1 ALA 14 HB1 ALA 14 3.337 2.688 -6.684 94 HB2 ALA 14 HB2 ALA 14 4.983 3.050 -6.164 95 HB3 ALA 14 HB3 ALA 14 3.723 4.275 -6.021 96 H SER 15 H SER 15 3.257 5.053 -3.624 97 HA SER 15 HA SER 15 5.905 5.450 -2.657 98 HB2 SER 15 HB2 SER 15 4.871 7.575 -1.697 99 HB3 SER 15 HB3 SER 15 4.779 7.368 -3.446 100 HG SER 15 HG SER 15 2.795 8.033 -2.289 101 H VAL 16 H VAL 16 2.820 4.711 -1.080 102 HA VAL 16 HA VAL 16 3.723 5.008 1.575 103 HB VAL 16 HB VAL 16 1.488 3.310 0.456 104 HG11 VAL 16 HG11 VAL 16 2.258 2.437 2.635 105 HG12 VAL 16 HG12 VAL 16 0.623 3.097 2.702 106 HG13 VAL 16 HG13 VAL 16 1.980 4.027 3.346 107 HG21 VAL 16 HG21 VAL 16 0.055 5.101 1.345 108 HG22 VAL 16 HG22 VAL 16 1.178 5.686 0.115 109 HG23 VAL 16 HG23 VAL 16 1.499 5.997 1.822 110 H CYS 17 H CYS 17 3.289 2.042 -0.368 111 HA CYS 17 HA CYS 17 4.445 0.273 1.443 112 HB2 CYS 17 HB2 CYS 17 4.321 0.171 -1.571 113 HB3 CYS 17 HB3 CYS 17 4.813 -1.182 -0.557 114 H ARG 18 H ARG 18 5.954 2.358 -0.943 115 HA ARG 18 HA ARG 18 8.540 1.242 -0.861 116 HB2 ARG 18 HB2 ARG 18 7.765 2.803 -2.606 117 HB3 ARG 18 HB3 ARG 18 7.712 4.098 -1.420 118 HG2 ARG 18 HG2 ARG 18 10.135 3.897 -1.107 119 HG3 ARG 18 HG3 ARG 18 10.176 2.626 -2.333 120 HD2 ARG 18 HD2 ARG 18 10.810 4.781 -3.281 121 HD3 ARG 18 HD3 ARG 18 9.308 4.191 -3.990 122 HE ARG 18 HE ARG 18 9.133 6.075 -1.761 123 HH11 ARG 18 HH11 ARG 18 8.820 5.458 -5.194 124 HH12 ARG 18 HH12 ARG 18 7.904 6.898 -5.497 125 HH21 ARG 18 HH21 ARG 18 7.936 7.969 -2.156 126 HH22 ARG 18 HH22 ARG 18 7.421 8.345 -3.770 127 H LYS 19 H LYS 19 6.851 3.447 1.237 128 HA LYS 19 HA LYS 19 9.250 4.166 2.698 129 HB2 LYS 19 HB2 LYS 19 7.365 5.773 2.327 130 HB3 LYS 19 HB3 LYS 19 6.360 4.765 3.356 131 HG2 LYS 19 HG2 LYS 19 7.923 5.156 5.220 132 HG3 LYS 19 HG3 LYS 19 8.858 6.231 4.178 133 HD2 LYS 19 HD2 LYS 19 6.852 7.641 3.894 134 HD3 LYS 19 HD3 LYS 19 5.980 6.587 5.009 135 HE2 LYS 19 HE2 LYS 19 8.442 8.207 5.654 136 HE3 LYS 19 HE3 LYS 19 6.792 8.597 6.135 137 HZ1 LYS 19 HZ1 LYS 19 8.330 6.250 6.988 138 HZ2 LYS 19 HZ2 LYS 19 6.777 6.523 7.384 139 HZ3 LYS 19 HZ3 LYS 19 7.938 7.531 7.912 140 H VAL 20 H VAL 20 6.378 2.158 3.105 141 HA VAL 20 HA VAL 20 6.888 1.429 5.796 142 HB VAL 20 HB VAL 20 5.270 -0.081 3.736 143 HG11 VAL 20 HG11 VAL 20 5.850 -1.454 5.670 144 HG12 VAL 20 HG12 VAL 20 4.129 -1.068 5.662 145 HG13 VAL 20 HG13 VAL 20 5.220 -0.211 6.750 146 HG21 VAL 20 HG21 VAL 20 3.335 1.057 4.700 147 HG22 VAL 20 HG22 VAL 20 4.479 2.210 4.012 148 HG23 VAL 20 HG23 VAL 20 4.402 1.979 5.758 149 H ILE 21 H ILE 21 7.102 -0.658 2.889 150 HA ILE 21 HA ILE 21 8.952 -2.337 4.425 151 HB ILE 21 HB ILE 21 8.473 -4.110 2.764 152 HG12 ILE 21 HG12 ILE 21 6.366 -2.183 1.757 153 HG13 ILE 21 HG13 ILE 21 7.820 -2.648 0.880 154 HG21 ILE 21 HG21 ILE 21 6.243 -4.630 3.605 155 HG22 ILE 21 HG22 ILE 21 6.047 -2.961 4.137 156 HG23 ILE 21 HG23 ILE 21 7.271 -3.986 4.887 157 HD11 ILE 21 HD11 ILE 21 5.890 -3.855 0.061 158 HD12 ILE 21 HD12 ILE 21 5.568 -4.476 1.679 159 HD13 ILE 21 HD13 ILE 21 7.031 -4.961 0.822 160 H GLY 22 H GLY 22 8.690 -0.536 1.407 161 HA2 GLY 22 HA2 GLY 22 11.028 0.403 0.947 162 HA3 GLY 22 HA3 GLY 22 11.486 -1.287 0.834 163 H VAL 23 H VAL 23 9.205 -2.221 -0.592 164 HA VAL 23 HA VAL 23 10.104 -1.455 -3.217 165 HB VAL 23 HB VAL 23 8.622 -3.158 -4.090 166 HG11 VAL 23 HG11 VAL 23 10.747 -3.925 -3.241 167 HG12 VAL 23 HG12 VAL 23 9.504 -5.134 -2.919 168 HG13 VAL 23 HG13 VAL 23 10.072 -4.086 -1.621 169 HG21 VAL 23 HG21 VAL 23 7.153 -4.472 -2.663 170 HG22 VAL 23 HG22 VAL 23 6.708 -2.766 -2.628 171 HG23 VAL 23 HG23 VAL 23 7.591 -3.476 -1.276 172 H ALA 24 H ALA 24 8.863 -0.546 -4.862 173 HA ALA 24 HA ALA 24 6.688 1.148 -3.889 174 HB1 ALA 24 HB1 ALA 24 8.550 2.241 -5.074 175 HB2 ALA 24 HB2 ALA 24 7.013 2.459 -5.911 176 HB3 ALA 24 HB3 ALA 24 8.183 1.285 -6.509 177 H ALA 25 H ALA 25 6.327 -1.666 -4.320 178 HA ALA 25 HA ALA 25 4.383 -1.629 -6.518 179 HB1 ALA 25 HB1 ALA 25 4.407 -4.062 -6.396 180 HB2 ALA 25 HB2 ALA 25 5.542 -3.996 -5.050 181 HB3 ALA 25 HB3 ALA 25 6.036 -3.432 -6.647 182 H GLY 26 H GLY 26 2.434 -1.103 -5.861 183 HA2 GLY 26 HA2 GLY 26 1.177 -2.412 -3.640 184 HA3 GLY 26 HA3 GLY 26 1.550 -0.725 -3.309 185 H LYS 27 H LYS 27 -1.013 -2.240 -3.692 186 HA LYS 27 HA LYS 27 -2.126 -0.571 -5.856 187 HB2 LYS 27 HB2 LYS 27 -2.870 -3.407 -5.120 188 HB3 LYS 27 HB3 LYS 27 -3.790 -2.400 -6.228 189 HG2 LYS 27 HG2 LYS 27 -1.873 -2.268 -7.723 190 HG3 LYS 27 HG3 LYS 27 -0.924 -3.246 -6.604 191 HD2 LYS 27 HD2 LYS 27 -1.753 -4.621 -8.420 192 HD3 LYS 27 HD3 LYS 27 -2.513 -5.099 -6.902 193 HE2 LYS 27 HE2 LYS 27 -4.132 -5.037 -8.731 194 HE3 LYS 27 HE3 LYS 27 -4.516 -3.841 -7.496 195 HZ1 LYS 27 HZ1 LYS 27 -3.582 -2.163 -8.892 196 HZ2 LYS 27 HZ2 LYS 27 -4.704 -2.975 -9.742 197 HZ3 LYS 27 HZ3 LYS 27 -3.124 -3.253 -10.013 198 H CYS 28 H CYS 28 -4.640 -0.567 -5.591 199 HA CYS 28 HA CYS 28 -5.154 0.094 -2.769 200 HB2 CYS 28 HB2 CYS 28 -5.056 2.022 -4.387 201 HB3 CYS 28 HB3 CYS 28 -6.480 1.349 -5.171 202 H ILE 29 H ILE 29 -6.345 -1.446 -1.904 203 HA ILE 29 HA ILE 29 -8.543 -2.611 -3.477 204 HB ILE 29 HB ILE 29 -7.150 -3.667 -1.009 205 HG12 ILE 29 HG12 ILE 29 -7.276 -4.727 -3.842 206 HG13 ILE 29 HG13 ILE 29 -5.888 -3.928 -3.113 207 HG21 ILE 29 HG21 ILE 29 -9.463 -4.849 -2.542 208 HG22 ILE 29 HG22 ILE 29 -9.520 -4.193 -0.907 209 HG23 ILE 29 HG23 ILE 29 -8.580 -5.648 -1.242 210 HD11 ILE 29 HD11 ILE 29 -7.085 -6.541 -2.220 211 HD12 ILE 29 HD12 ILE 29 -5.686 -5.744 -1.500 212 HD13 ILE 29 HD13 ILE 29 -5.606 -6.339 -3.159 213 H ASN 30 H ASN 30 -10.344 -1.474 -3.125 214 HA ASN 30 HA ASN 30 -12.097 -0.482 -2.106 215 HB2 ASN 30 HB2 ASN 30 -11.257 -2.247 0.200 216 HB3 ASN 30 HB3 ASN 30 -12.803 -1.429 0.049 217 HD21 ASN 30 HD21 ASN 30 -12.130 -4.286 0.223 218 HD22 ASN 30 HD22 ASN 30 -12.852 -5.013 -1.161 219 H GLY 31 H GLY 31 -9.742 1.015 -2.056 220 HA2 GLY 31 HA2 GLY 31 -9.225 3.102 -1.183 221 HA3 GLY 31 HA3 GLY 31 -10.374 2.813 0.115 222 H ARG 32 H ARG 32 -8.459 0.144 -0.021 223 HA ARG 32 HA ARG 32 -6.700 1.195 2.088 224 HB2 ARG 32 HB2 ARG 32 -7.507 -1.657 1.487 225 HB3 ARG 32 HB3 ARG 32 -6.438 -1.162 2.788 226 HG2 ARG 32 HG2 ARG 32 -9.338 -0.392 2.520 227 HG3 ARG 32 HG3 ARG 32 -8.699 -1.651 3.576 228 HD2 ARG 32 HD2 ARG 32 -8.967 0.193 4.984 229 HD3 ARG 32 HD3 ARG 32 -7.250 0.198 4.593 230 HE ARG 32 HE ARG 32 -8.102 1.870 2.762 231 HH11 ARG 32 HH11 ARG 32 -9.139 1.654 6.101 232 HH12 ARG 32 HH12 ARG 32 -9.478 3.351 6.228 233 HH21 ARG 32 HH21 ARG 32 -8.563 4.088 2.927 234 HH22 ARG 32 HH22 ARG 32 -9.156 4.731 4.427 235 H CYS 33 H CYS 33 -4.557 0.082 2.221 236 HA CYS 33 HA CYS 33 -3.371 0.116 -0.457 237 HB2 CYS 33 HB2 CYS 33 -2.431 1.791 0.949 238 HB3 CYS 33 HB3 CYS 33 -2.243 0.673 2.294 239 H VAL 34 H VAL 34 -2.517 -1.687 -1.292 240 HA VAL 34 HA VAL 34 -1.848 -3.861 0.573 241 HB VAL 34 HB VAL 34 -3.757 -4.584 -0.688 242 HG11 VAL 34 HG11 VAL 34 -2.210 -3.758 -3.123 243 HG12 VAL 34 HG12 VAL 34 -3.747 -3.116 -2.547 244 HG13 VAL 34 HG13 VAL 34 -3.659 -4.764 -3.169 245 HG21 VAL 34 HG21 VAL 34 -2.858 -6.565 -1.819 246 HG22 VAL 34 HG22 VAL 34 -2.067 -6.271 -0.271 247 HG23 VAL 34 HG23 VAL 34 -1.248 -5.847 -1.772 248 H CYS 35 H CYS 35 0.226 -4.167 0.701 249 HA CYS 35 HA CYS 35 1.983 -3.137 -1.365 250 HB2 CYS 35 HB2 CYS 35 2.539 -4.322 1.358 251 HB3 CYS 35 HB3 CYS 35 3.777 -3.689 0.275 252 H TYR 36 H TYR 36 3.341 -4.307 -2.619 253 HA TYR 36 HA TYR 36 3.102 -7.242 -2.445 254 HB2 TYR 36 HB2 TYR 36 3.220 -5.439 -4.860 255 HB3 TYR 36 HB3 TYR 36 3.587 -7.156 -4.960 256 HD1 TYR 36 HD1 TYR 36 1.876 -8.731 -5.178 257 HD2 TYR 36 HD2 TYR 36 0.902 -4.758 -4.011 258 HE1 TYR 36 HE1 TYR 36 -0.510 -9.245 -5.441 259 HE2 TYR 36 HE2 TYR 36 -1.485 -5.263 -4.267 260 HH TYR 36 HH TYR 36 -2.920 -6.850 -5.483 261 HA PRO 37 HA PRO 37 7.501 -6.209 -1.637 262 HB2 PRO 37 HB2 PRO 37 7.983 -8.530 -0.264 263 HB3 PRO 37 HB3 PRO 37 7.385 -7.042 0.474 264 HG2 PRO 37 HG2 PRO 37 5.893 -9.493 -0.329 265 HG3 PRO 37 HG3 PRO 37 5.663 -8.441 1.077 266 HD2 PRO 37 HD2 PRO 37 4.069 -8.355 -1.116 267 HD3 PRO 37 HD3 PRO 37 4.389 -6.940 -0.095 Start of MODEL 6 1 H PCA 1 H PCA 1 0.002 -11.116 0.422 2 HA PCA 1 HA PCA 1 1.519 -9.200 -0.689 3 HB2 PCA 1 HB2 PCA 1 0.253 -8.309 -2.325 4 HB3 PCA 1 HB3 PCA 1 -1.001 -7.971 -1.125 5 HG2 PCA 1 HG2 PCA 1 -1.056 -9.966 -3.177 6 HG3 PCA 1 HG3 PCA 1 -2.254 -9.717 -1.877 7 HT2 PCA 1 HT2 PCA 1 1.138 -11.276 -0.678 8 H ILE 2 H ILE 2 1.578 -7.451 0.746 9 HA ILE 2 HA ILE 2 0.269 -8.037 3.277 10 HB ILE 2 HB ILE 2 2.335 -5.921 2.665 11 HG12 ILE 2 HG12 ILE 2 2.642 -8.667 3.907 12 HG13 ILE 2 HG13 ILE 2 3.187 -8.207 2.298 13 HG21 ILE 2 HG21 ILE 2 2.614 -5.824 5.094 14 HG22 ILE 2 HG22 ILE 2 1.326 -7.013 5.289 15 HG23 ILE 2 HG23 ILE 2 0.961 -5.423 4.622 16 HD11 ILE 2 HD11 ILE 2 4.205 -7.069 4.890 17 HD12 ILE 2 HD12 ILE 2 4.761 -6.630 3.275 18 HD13 ILE 2 HD13 ILE 2 5.025 -8.264 3.884 19 H GLU 3 H GLU 3 -1.828 -7.438 2.822 20 HA GLU 3 HA GLU 3 -2.610 -4.821 2.066 21 HB2 GLU 3 HB2 GLU 3 -4.094 -6.995 3.555 22 HB3 GLU 3 HB3 GLU 3 -4.836 -5.528 2.928 23 HG2 GLU 3 HG2 GLU 3 -4.427 -6.170 0.688 24 HG3 GLU 3 HG3 GLU 3 -3.370 -7.487 1.187 25 H THR 4 H THR 4 -2.885 -3.030 3.263 26 HA THR 4 HA THR 4 -2.618 -3.256 6.186 27 HB THR 4 HB THR 4 -1.354 -1.116 6.170 28 HG1 THR 4 HG1 THR 4 -0.793 -1.437 3.442 29 HG21 THR 4 HG21 THR 4 0.778 -2.031 5.372 30 HG22 THR 4 HG22 THR 4 -0.091 -3.317 4.533 31 HG23 THR 4 HG23 THR 4 -0.132 -3.228 6.294 32 H ASN 5 H ASN 5 -3.350 -1.174 7.269 33 HA ASN 5 HA ASN 5 -5.991 -0.552 6.240 34 HB2 ASN 5 HB2 ASN 5 -5.648 -1.145 8.627 35 HB3 ASN 5 HB3 ASN 5 -4.658 0.294 8.826 36 HD21 ASN 5 HD21 ASN 5 -7.888 -0.905 8.268 37 HD22 ASN 5 HD22 ASN 5 -8.710 0.547 8.724 38 H LYS 6 H LYS 6 -2.982 0.671 5.802 39 HA LYS 6 HA LYS 6 -3.373 3.454 6.057 40 HB2 LYS 6 HB2 LYS 6 -1.438 1.896 4.340 41 HB3 LYS 6 HB3 LYS 6 -1.381 3.640 4.572 42 HG2 LYS 6 HG2 LYS 6 -1.190 3.183 7.045 43 HG3 LYS 6 HG3 LYS 6 -0.951 1.489 6.624 44 HD2 LYS 6 HD2 LYS 6 1.198 2.468 6.918 45 HD3 LYS 6 HD3 LYS 6 0.967 2.204 5.191 46 HE2 LYS 6 HE2 LYS 6 1.980 4.385 5.633 47 HE3 LYS 6 HE3 LYS 6 0.392 4.553 4.892 48 HZ1 LYS 6 HZ1 LYS 6 0.870 4.779 7.773 49 HZ2 LYS 6 HZ2 LYS 6 -0.510 5.124 6.986 50 HZ3 LYS 6 HZ3 LYS 6 0.803 6.057 6.769 51 H LYS 7 H LYS 7 -3.649 5.018 4.411 52 HA LYS 7 HA LYS 7 -5.709 4.162 2.556 53 HB2 LYS 7 HB2 LYS 7 -4.766 6.964 3.185 54 HB3 LYS 7 HB3 LYS 7 -6.261 6.510 2.378 55 HG2 LYS 7 HG2 LYS 7 -5.527 6.020 5.258 56 HG3 LYS 7 HG3 LYS 7 -6.770 7.109 4.637 57 HD2 LYS 7 HD2 LYS 7 -8.012 5.192 3.760 58 HD3 LYS 7 HD3 LYS 7 -6.758 4.104 4.354 59 HE2 LYS 7 HE2 LYS 7 -8.410 5.925 6.099 60 HE3 LYS 7 HE3 LYS 7 -8.765 4.223 5.818 61 HZ1 LYS 7 HZ1 LYS 7 -7.561 4.502 7.841 62 HZ2 LYS 7 HZ2 LYS 7 -6.353 5.291 7.100 63 HZ3 LYS 7 HZ3 LYS 7 -6.601 3.716 6.783 64 H CYS 8 H CYS 8 -5.705 4.551 0.374 65 HA CYS 8 HA CYS 8 -3.226 4.056 -0.897 66 HB2 CYS 8 HB2 CYS 8 -5.749 4.884 -2.304 67 HB3 CYS 8 HB3 CYS 8 -4.484 3.803 -2.875 68 H GLN 9 H GLN 9 -2.591 5.264 -2.944 69 HA GLN 9 HA GLN 9 -2.694 8.173 -2.453 70 HB2 GLN 9 HB2 GLN 9 -0.335 6.461 -3.249 71 HB3 GLN 9 HB3 GLN 9 -0.335 8.216 -3.355 72 HG2 GLN 9 HG2 GLN 9 -0.799 6.678 -0.812 73 HG3 GLN 9 HG3 GLN 9 0.768 7.300 -1.330 74 HE21 GLN 9 HE21 GLN 9 -2.414 8.139 -0.195 75 HE22 GLN 9 HE22 GLN 9 -2.038 9.772 0.236 76 H GLY 10 H GLY 10 -4.559 7.605 -4.055 77 HA2 GLY 10 HA2 GLY 10 -5.235 8.459 -6.127 78 HA3 GLY 10 HA3 GLY 10 -3.563 8.436 -6.664 79 H GLY 11 H GLY 11 -5.405 5.773 -5.263 80 HA2 GLY 11 HA2 GLY 11 -6.401 3.969 -6.405 81 HA3 GLY 11 HA3 GLY 11 -5.626 4.507 -7.886 82 H SER 12 H SER 12 -3.227 4.698 -5.771 83 HA SER 12 HA SER 12 -2.486 1.863 -5.933 84 HB2 SER 12 HB2 SER 12 -0.226 2.505 -6.635 85 HB3 SER 12 HB3 SER 12 -1.429 3.065 -7.793 86 HG SER 12 HG SER 12 -0.398 4.889 -7.524 87 H CYS 13 H CYS 13 -0.180 1.755 -4.718 88 HA CYS 13 HA CYS 13 -0.176 3.524 -2.399 89 HB2 CYS 13 HB2 CYS 13 -1.495 1.454 -1.831 90 HB3 CYS 13 HB3 CYS 13 -0.028 0.519 -2.107 91 H ALA 14 H ALA 14 1.459 3.249 -4.775 92 HA ALA 14 HA ALA 14 3.790 1.751 -4.368 93 HB1 ALA 14 HB1 ALA 14 3.129 2.693 -6.536 94 HB2 ALA 14 HB2 ALA 14 4.784 3.122 -6.107 95 HB3 ALA 14 HB3 ALA 14 3.494 4.309 -5.937 96 H SER 15 H SER 15 3.086 5.149 -3.614 97 HA SER 15 HA SER 15 5.679 5.725 -2.622 98 HB2 SER 15 HB2 SER 15 3.082 7.166 -2.044 99 HB3 SER 15 HB3 SER 15 4.710 7.820 -1.859 100 HG SER 15 HG SER 15 4.727 7.039 -4.280 101 H VAL 16 H VAL 16 2.693 4.664 -1.075 102 HA VAL 16 HA VAL 16 3.609 5.028 1.594 103 HB VAL 16 HB VAL 16 1.365 3.363 0.452 104 HG11 VAL 16 HG11 VAL 16 2.201 2.379 2.567 105 HG12 VAL 16 HG12 VAL 16 0.552 2.994 2.690 106 HG13 VAL 16 HG13 VAL 16 1.895 3.921 3.368 107 HG21 VAL 16 HG21 VAL 16 1.079 5.773 0.266 108 HG22 VAL 16 HG22 VAL 16 1.376 5.954 1.994 109 HG23 VAL 16 HG23 VAL 16 -0.059 5.095 1.431 110 H CYS 17 H CYS 17 3.268 2.141 -0.466 111 HA CYS 17 HA CYS 17 4.385 0.322 1.330 112 HB2 CYS 17 HB2 CYS 17 4.253 0.305 -1.681 113 HB3 CYS 17 HB3 CYS 17 4.812 -1.064 -0.726 114 H ARG 18 H ARG 18 5.943 2.541 -0.909 115 HA ARG 18 HA ARG 18 8.509 1.370 -0.832 116 HB2 ARG 18 HB2 ARG 18 7.762 3.138 -2.451 117 HB3 ARG 18 HB3 ARG 18 7.892 4.312 -1.149 118 HG2 ARG 18 HG2 ARG 18 10.280 3.780 -0.928 119 HG3 ARG 18 HG3 ARG 18 10.137 2.651 -2.276 120 HD2 ARG 18 HD2 ARG 18 11.027 4.702 -3.118 121 HD3 ARG 18 HD3 ARG 18 9.369 4.551 -3.694 122 HE ARG 18 HE ARG 18 9.240 6.010 -1.349 123 HH11 ARG 18 HH11 ARG 18 10.750 6.337 -4.486 124 HH12 ARG 18 HH12 ARG 18 10.698 8.070 -4.477 125 HH21 ARG 18 HH21 ARG 18 9.175 8.291 -1.319 126 HH22 ARG 18 HH22 ARG 18 9.805 9.191 -2.662 127 H LYS 19 H LYS 19 6.748 3.319 1.407 128 HA LYS 19 HA LYS 19 9.070 3.897 3.034 129 HB2 LYS 19 HB2 LYS 19 7.222 5.518 2.894 130 HB3 LYS 19 HB3 LYS 19 6.122 4.325 3.572 131 HG2 LYS 19 HG2 LYS 19 6.811 5.942 5.246 132 HG3 LYS 19 HG3 LYS 19 7.389 4.325 5.654 133 HD2 LYS 19 HD2 LYS 19 9.593 4.888 4.783 134 HD3 LYS 19 HD3 LYS 19 9.015 6.492 4.332 135 HE2 LYS 19 HE2 LYS 19 8.539 6.966 6.688 136 HE3 LYS 19 HE3 LYS 19 9.150 5.371 7.124 137 HZ1 LYS 19 HZ1 LYS 19 10.707 7.527 5.890 138 HZ2 LYS 19 HZ2 LYS 19 11.281 6.045 6.219 139 HZ3 LYS 19 HZ3 LYS 19 10.826 7.024 7.433 140 H VAL 20 H VAL 20 6.213 1.818 3.150 141 HA VAL 20 HA VAL 20 6.740 0.753 5.724 142 HB VAL 20 HB VAL 20 5.040 -0.419 3.517 143 HG11 VAL 20 HG11 VAL 20 5.034 -0.951 6.488 144 HG12 VAL 20 HG12 VAL 20 5.584 -2.061 5.233 145 HG13 VAL 20 HG13 VAL 20 3.883 -1.605 5.323 146 HG21 VAL 20 HG21 VAL 20 4.291 1.411 5.798 147 HG22 VAL 20 HG22 VAL 20 3.162 0.661 4.670 148 HG23 VAL 20 HG23 VAL 20 4.337 1.841 4.088 149 H ILE 21 H ILE 21 6.867 -0.963 2.576 150 HA ILE 21 HA ILE 21 8.615 -2.932 3.841 151 HB ILE 21 HB ILE 21 8.267 -4.290 1.790 152 HG12 ILE 21 HG12 ILE 21 6.206 -2.198 1.064 153 HG13 ILE 21 HG13 ILE 21 7.781 -2.331 0.293 154 HG21 ILE 21 HG21 ILE 21 6.885 -4.629 3.759 155 HG22 ILE 21 HG22 ILE 21 5.941 -4.882 2.291 156 HG23 ILE 21 HG23 ILE 21 5.763 -3.385 3.205 157 HD11 ILE 21 HD11 ILE 21 5.957 -3.359 -1.004 158 HD12 ILE 21 HD12 ILE 21 5.708 -4.506 0.314 159 HD13 ILE 21 HD13 ILE 21 7.231 -4.498 -0.571 160 H GLY 22 H GLY 22 8.737 -0.348 1.560 161 HA2 GLY 22 HA2 GLY 22 10.822 0.670 1.013 162 HA3 GLY 22 HA3 GLY 22 11.606 -0.884 1.229 163 H VAL 23 H VAL 23 8.743 -1.163 -0.500 164 HA VAL 23 HA VAL 23 10.160 -0.930 -3.070 165 HB VAL 23 HB VAL 23 7.988 -2.948 -2.661 166 HG11 VAL 23 HG11 VAL 23 10.292 -2.803 -4.583 167 HG12 VAL 23 HG12 VAL 23 8.620 -2.368 -4.931 168 HG13 VAL 23 HG13 VAL 23 9.036 -4.041 -4.562 169 HG21 VAL 23 HG21 VAL 23 9.678 -4.687 -2.266 170 HG22 VAL 23 HG22 VAL 23 9.650 -3.495 -0.966 171 HG23 VAL 23 HG23 VAL 23 10.925 -3.442 -2.184 172 H ALA 24 H ALA 24 8.878 -0.244 -4.807 173 HA ALA 24 HA ALA 24 6.589 1.337 -3.921 174 HB1 ALA 24 HB1 ALA 24 8.111 1.485 -6.523 175 HB2 ALA 24 HB2 ALA 24 8.401 2.499 -5.109 176 HB3 ALA 24 HB3 ALA 24 6.868 2.607 -5.973 177 H ALA 25 H ALA 25 6.238 -1.419 -4.149 178 HA ALA 25 HA ALA 25 4.374 -1.586 -6.413 179 HB1 ALA 25 HB1 ALA 25 4.482 -4.007 -6.168 180 HB2 ALA 25 HB2 ALA 25 5.595 -3.830 -4.813 181 HB3 ALA 25 HB3 ALA 25 6.088 -3.330 -6.430 182 H GLY 26 H GLY 26 2.413 -1.047 -5.791 183 HA2 GLY 26 HA2 GLY 26 1.128 -2.298 -3.568 184 HA3 GLY 26 HA3 GLY 26 1.537 -0.622 -3.229 185 H LYS 27 H LYS 27 -1.047 -2.121 -3.658 186 HA LYS 27 HA LYS 27 -2.142 -0.377 -5.773 187 HB2 LYS 27 HB2 LYS 27 -2.852 -3.244 -5.147 188 HB3 LYS 27 HB3 LYS 27 -3.797 -2.212 -6.210 189 HG2 LYS 27 HG2 LYS 27 -1.871 -1.965 -7.689 190 HG3 LYS 27 HG3 LYS 27 -0.921 -3.000 -6.623 191 HD2 LYS 27 HD2 LYS 27 -3.423 -3.810 -8.103 192 HD3 LYS 27 HD3 LYS 27 -1.772 -4.235 -8.558 193 HE2 LYS 27 HE2 LYS 27 -1.553 -5.320 -6.298 194 HE3 LYS 27 HE3 LYS 27 -3.287 -5.077 -6.100 195 HZ1 LYS 27 HZ1 LYS 27 -2.049 -6.625 -8.261 196 HZ2 LYS 27 HZ2 LYS 27 -3.646 -6.436 -8.020 197 HZ3 LYS 27 HZ3 LYS 27 -2.757 -7.263 -6.938 198 H CYS 28 H CYS 28 -4.663 -0.431 -5.536 199 HA CYS 28 HA CYS 28 -5.224 0.154 -2.706 200 HB2 CYS 28 HB2 CYS 28 -5.243 2.104 -4.303 201 HB3 CYS 28 HB3 CYS 28 -6.617 1.348 -5.102 202 H ILE 29 H ILE 29 -6.470 -1.309 -1.800 203 HA ILE 29 HA ILE 29 -8.544 -2.621 -3.436 204 HB ILE 29 HB ILE 29 -7.215 -3.607 -0.906 205 HG12 ILE 29 HG12 ILE 29 -7.096 -4.675 -3.738 206 HG13 ILE 29 HG13 ILE 29 -5.813 -3.763 -2.947 207 HG21 ILE 29 HG21 ILE 29 -8.528 -5.655 -1.259 208 HG22 ILE 29 HG22 ILE 29 -9.350 -4.878 -2.613 209 HG23 ILE 29 HG23 ILE 29 -9.557 -4.248 -0.981 210 HD11 ILE 29 HD11 ILE 29 -6.858 -6.447 -2.075 211 HD12 ILE 29 HD12 ILE 29 -5.562 -5.536 -1.299 212 HD13 ILE 29 HD13 ILE 29 -5.351 -6.149 -2.940 213 H ASN 30 H ASN 30 -10.310 -1.419 -3.155 214 HA ASN 30 HA ASN 30 -12.057 -0.339 -2.216 215 HB2 ASN 30 HB2 ASN 30 -11.512 -2.337 -0.014 216 HB3 ASN 30 HB3 ASN 30 -12.976 -1.382 -0.171 217 HD21 ASN 30 HD21 ASN 30 -12.593 -4.285 -0.208 218 HD22 ASN 30 HD22 ASN 30 -13.269 -4.827 -1.695 219 H GLY 31 H GLY 31 -9.687 1.047 -1.893 220 HA2 GLY 31 HA2 GLY 31 -9.169 3.045 -0.833 221 HA3 GLY 31 HA3 GLY 31 -10.419 2.706 0.353 222 H ARG 32 H ARG 32 -8.360 0.070 -0.002 223 HA ARG 32 HA ARG 32 -6.725 0.967 2.278 224 HB2 ARG 32 HB2 ARG 32 -7.631 -1.856 1.672 225 HB3 ARG 32 HB3 ARG 32 -6.654 -1.353 3.046 226 HG2 ARG 32 HG2 ARG 32 -9.519 -0.594 2.503 227 HG3 ARG 32 HG3 ARG 32 -8.934 -1.701 3.746 228 HD2 ARG 32 HD2 ARG 32 -7.797 0.099 4.881 229 HD3 ARG 32 HD3 ARG 32 -8.211 1.222 3.589 230 HE ARG 32 HE ARG 32 -10.147 0.016 5.459 231 HH11 ARG 32 HH11 ARG 32 -9.189 2.586 3.273 232 HH12 ARG 32 HH12 ARG 32 -10.550 3.590 3.661 233 HH21 ARG 32 HH21 ARG 32 -11.934 1.331 5.961 234 HH22 ARG 32 HH22 ARG 32 -12.114 2.872 5.185 235 H CYS 33 H CYS 33 -4.583 0.194 2.367 236 HA CYS 33 HA CYS 33 -3.413 0.066 -0.276 237 HB2 CYS 33 HB2 CYS 33 -2.356 1.612 1.176 238 HB3 CYS 33 HB3 CYS 33 -2.268 0.447 2.492 239 H VAL 34 H VAL 34 -2.198 -1.593 -1.090 240 HA VAL 34 HA VAL 34 -1.711 -3.897 0.645 241 HB VAL 34 HB VAL 34 -3.636 -4.542 -0.662 242 HG11 VAL 34 HG11 VAL 34 -3.554 -4.668 -3.111 243 HG12 VAL 34 HG12 VAL 34 -2.009 -3.818 -3.080 244 HG13 VAL 34 HG13 VAL 34 -3.471 -3.013 -2.507 245 HG21 VAL 34 HG21 VAL 34 -1.129 -5.843 -1.695 246 HG22 VAL 34 HG22 VAL 34 -2.754 -6.525 -1.789 247 HG23 VAL 34 HG23 VAL 34 -1.997 -6.263 -0.217 248 H CYS 35 H CYS 35 0.356 -4.256 0.741 249 HA CYS 35 HA CYS 35 2.088 -3.129 -1.313 250 HB2 CYS 35 HB2 CYS 35 2.641 -4.154 1.471 251 HB3 CYS 35 HB3 CYS 35 3.884 -3.548 0.379 252 H TYR 36 H TYR 36 3.458 -4.253 -2.550 253 HA TYR 36 HA TYR 36 3.365 -7.195 -2.310 254 HB2 TYR 36 HB2 TYR 36 3.450 -5.403 -4.728 255 HB3 TYR 36 HB3 TYR 36 3.964 -7.083 -4.819 256 HD1 TYR 36 HD1 TYR 36 1.027 -5.081 -3.595 257 HD2 TYR 36 HD2 TYR 36 2.415 -8.636 -5.481 258 HE1 TYR 36 HE1 TYR 36 -1.294 -5.773 -3.991 259 HE2 TYR 36 HE2 TYR 36 0.099 -9.337 -5.878 260 HH TYR 36 HH TYR 36 -2.144 -8.921 -4.962 261 HA PRO 37 HA PRO 37 7.786 -6.284 -1.739 262 HB2 PRO 37 HB2 PRO 37 7.939 -8.622 -0.087 263 HB3 PRO 37 HB3 PRO 37 8.026 -6.934 0.412 264 HG2 PRO 37 HG2 PRO 37 5.961 -8.653 1.045 265 HG3 PRO 37 HG3 PRO 37 5.840 -6.888 1.044 266 HD2 PRO 37 HD2 PRO 37 4.946 -8.853 -1.021 267 HD3 PRO 37 HD3 PRO 37 4.174 -7.345 -0.483 Start of MODEL 7 1 H PCA 1 H PCA 1 0.940 -11.080 0.590 2 HA PCA 1 HA PCA 1 0.997 -8.988 -1.013 3 HB2 PCA 1 HB2 PCA 1 -0.840 -9.134 -2.327 4 HB3 PCA 1 HB3 PCA 1 -1.810 -8.984 -0.856 5 HG2 PCA 1 HG2 PCA 1 -1.493 -11.311 -2.492 6 HG3 PCA 1 HG3 PCA 1 -2.341 -11.200 -0.924 7 HT2 PCA 1 HT2 PCA 1 1.562 -11.021 -0.872 8 H ILE 2 H ILE 2 1.211 -7.427 0.486 9 HA ILE 2 HA ILE 2 0.201 -7.992 3.177 10 HB ILE 2 HB ILE 2 2.141 -5.844 2.318 11 HG12 ILE 2 HG12 ILE 2 2.721 -8.553 3.535 12 HG13 ILE 2 HG13 ILE 2 2.980 -8.135 1.845 13 HG21 ILE 2 HG21 ILE 2 2.715 -5.762 4.698 14 HG22 ILE 2 HG22 ILE 2 1.474 -6.971 5.033 15 HG23 ILE 2 HG23 ILE 2 1.014 -5.381 4.424 16 HD11 ILE 2 HD11 ILE 2 5.050 -8.070 3.120 17 HD12 ILE 2 HD12 ILE 2 4.355 -6.855 4.194 18 HD13 ILE 2 HD13 ILE 2 4.629 -6.477 2.494 19 H GLU 3 H GLU 3 -1.946 -7.351 3.062 20 HA GLU 3 HA GLU 3 -2.767 -4.793 2.123 21 HB2 GLU 3 HB2 GLU 3 -4.089 -6.807 3.939 22 HB3 GLU 3 HB3 GLU 3 -4.857 -5.303 3.456 23 HG2 GLU 3 HG2 GLU 3 -4.813 -5.966 1.145 24 HG3 GLU 3 HG3 GLU 3 -3.903 -7.421 1.548 25 H THR 4 H THR 4 -1.518 -3.219 3.065 26 HA THR 4 HA THR 4 -1.324 -2.976 5.933 27 HB THR 4 HB THR 4 -0.210 -0.802 5.421 28 HG1 THR 4 HG1 THR 4 -1.185 -1.419 2.888 29 HG21 THR 4 HG21 THR 4 1.124 -2.829 5.602 30 HG22 THR 4 HG22 THR 4 1.780 -1.775 4.349 31 HG23 THR 4 HG23 THR 4 0.832 -3.192 3.900 32 H ASN 5 H ASN 5 -2.260 -1.307 7.169 33 HA ASN 5 HA ASN 5 -4.893 -0.555 6.261 34 HB2 ASN 5 HB2 ASN 5 -4.378 -1.341 8.609 35 HB3 ASN 5 HB3 ASN 5 -3.563 0.197 8.870 36 HD21 ASN 5 HD21 ASN 5 -4.963 0.866 10.441 37 HD22 ASN 5 HD22 ASN 5 -6.593 1.322 10.101 38 H LYS 6 H LYS 6 -3.309 0.653 4.569 39 HA LYS 6 HA LYS 6 -3.072 3.445 5.474 40 HB2 LYS 6 HB2 LYS 6 -1.761 2.012 3.156 41 HB3 LYS 6 HB3 LYS 6 -1.614 3.737 3.462 42 HG2 LYS 6 HG2 LYS 6 -0.750 1.600 5.400 43 HG3 LYS 6 HG3 LYS 6 0.321 2.386 4.237 44 HD2 LYS 6 HD2 LYS 6 -0.153 4.553 5.252 45 HD3 LYS 6 HD3 LYS 6 -1.254 3.783 6.396 46 HE2 LYS 6 HE2 LYS 6 0.586 2.495 7.320 47 HE3 LYS 6 HE3 LYS 6 1.695 3.212 6.155 48 HZ1 LYS 6 HZ1 LYS 6 0.217 4.715 8.193 49 HZ2 LYS 6 HZ2 LYS 6 1.318 5.323 7.166 50 HZ3 LYS 6 HZ3 LYS 6 1.780 4.276 8.316 51 H LYS 7 H LYS 7 -4.094 5.073 4.349 52 HA LYS 7 HA LYS 7 -6.217 4.381 2.541 53 HB2 LYS 7 HB2 LYS 7 -5.053 7.081 3.280 54 HB3 LYS 7 HB3 LYS 7 -6.602 6.796 2.505 55 HG2 LYS 7 HG2 LYS 7 -7.580 5.998 4.436 56 HG3 LYS 7 HG3 LYS 7 -6.028 5.589 5.169 57 HD2 LYS 7 HD2 LYS 7 -6.948 7.524 6.271 58 HD3 LYS 7 HD3 LYS 7 -5.516 7.989 5.348 59 HE2 LYS 7 HE2 LYS 7 -6.954 8.812 3.545 60 HE3 LYS 7 HE3 LYS 7 -8.381 8.350 4.469 61 HZ1 LYS 7 HZ1 LYS 7 -6.399 10.354 5.283 62 HZ2 LYS 7 HZ2 LYS 7 -7.703 9.923 6.150 63 HZ3 LYS 7 HZ3 LYS 7 -7.894 10.670 4.722 64 H CYS 8 H CYS 8 -6.162 4.474 0.347 65 HA CYS 8 HA CYS 8 -3.747 4.290 -1.009 66 HB2 CYS 8 HB2 CYS 8 -6.236 5.235 -2.387 67 HB3 CYS 8 HB3 CYS 8 -4.980 4.160 -2.990 68 H GLN 9 H GLN 9 -2.534 5.663 -2.209 69 HA GLN 9 HA GLN 9 -2.742 8.447 -1.397 70 HB2 GLN 9 HB2 GLN 9 -0.632 6.883 -1.378 71 HB3 GLN 9 HB3 GLN 9 -0.529 7.323 -3.075 72 HG2 GLN 9 HG2 GLN 9 -0.318 9.647 -2.513 73 HG3 GLN 9 HG3 GLN 9 -0.589 9.294 -0.807 74 HE21 GLN 9 HE21 GLN 9 1.342 10.074 -0.103 75 HE22 GLN 9 HE22 GLN 9 2.859 9.329 -0.460 76 H GLY 10 H GLY 10 -4.771 8.167 -2.946 77 HA2 GLY 10 HA2 GLY 10 -5.525 9.517 -4.777 78 HA3 GLY 10 HA3 GLY 10 -3.963 9.282 -5.546 79 H GLY 11 H GLY 11 -3.453 6.994 -6.142 80 HA2 GLY 11 HA2 GLY 11 -5.884 5.486 -6.857 81 HA3 GLY 11 HA3 GLY 11 -4.640 5.804 -8.056 82 H SER 12 H SER 12 -2.484 5.460 -6.088 83 HA SER 12 HA SER 12 -2.664 2.576 -5.566 84 HB2 SER 12 HB2 SER 12 -0.189 3.922 -6.658 85 HB3 SER 12 HB3 SER 12 -0.508 2.193 -6.510 86 HG SER 12 HG SER 12 -2.408 2.869 -7.999 87 H CYS 13 H CYS 13 -0.524 1.993 -4.289 88 HA CYS 13 HA CYS 13 0.179 4.154 -2.437 89 HB2 CYS 13 HB2 CYS 13 -1.122 1.599 -1.799 90 HB3 CYS 13 HB3 CYS 13 0.294 1.953 -0.812 91 H ALA 14 H ALA 14 1.553 3.220 -4.716 92 HA ALA 14 HA ALA 14 3.587 1.366 -4.165 93 HB1 ALA 14 HB1 ALA 14 3.664 3.727 -6.041 94 HB2 ALA 14 HB2 ALA 14 3.029 2.126 -6.425 95 HB3 ALA 14 HB3 ALA 14 4.747 2.334 -6.078 96 H SER 15 H SER 15 3.576 4.917 -3.917 97 HA SER 15 HA SER 15 6.212 5.113 -2.882 98 HB2 SER 15 HB2 SER 15 3.962 7.100 -2.510 99 HB3 SER 15 HB3 SER 15 5.696 7.425 -2.507 100 HG SER 15 HG SER 15 5.436 6.386 -4.779 101 H VAL 16 H VAL 16 3.044 4.729 -1.469 102 HA VAL 16 HA VAL 16 3.671 5.216 1.227 103 HB VAL 16 HB VAL 16 1.561 3.488 -0.069 104 HG11 VAL 16 HG11 VAL 16 2.049 2.643 2.195 105 HG12 VAL 16 HG12 VAL 16 0.432 3.335 2.058 106 HG13 VAL 16 HG13 VAL 16 1.722 4.252 2.843 107 HG21 VAL 16 HG21 VAL 16 1.443 6.196 1.249 108 HG22 VAL 16 HG22 VAL 16 0.065 5.319 0.588 109 HG23 VAL 16 HG23 VAL 16 1.353 5.872 -0.482 110 H CYS 17 H CYS 17 3.449 2.155 -0.569 111 HA CYS 17 HA CYS 17 4.392 0.538 1.541 112 HB2 CYS 17 HB2 CYS 17 4.282 0.067 -1.438 113 HB3 CYS 17 HB3 CYS 17 4.665 -1.176 -0.249 114 H ARG 18 H ARG 18 6.019 2.447 -0.851 115 HA ARG 18 HA ARG 18 8.552 1.232 -0.748 116 HB2 ARG 18 HB2 ARG 18 7.904 2.925 -2.431 117 HB3 ARG 18 HB3 ARG 18 7.890 4.155 -1.175 118 HG2 ARG 18 HG2 ARG 18 10.282 3.789 -0.800 119 HG3 ARG 18 HG3 ARG 18 10.287 2.575 -2.078 120 HD2 ARG 18 HD2 ARG 18 9.554 4.294 -3.681 121 HD3 ARG 18 HD3 ARG 18 9.622 5.498 -2.394 122 HE ARG 18 HE ARG 18 12.098 4.118 -2.672 123 HH11 ARG 18 HH11 ARG 18 10.149 6.665 -4.075 124 HH12 ARG 18 HH12 ARG 18 11.505 7.498 -4.763 125 HH21 ARG 18 HH21 ARG 18 13.880 5.208 -3.594 126 HH22 ARG 18 HH22 ARG 18 13.627 6.668 -4.491 127 H LYS 19 H LYS 19 6.874 3.363 1.420 128 HA LYS 19 HA LYS 19 9.248 3.840 3.026 129 HB2 LYS 19 HB2 LYS 19 7.483 5.594 2.638 130 HB3 LYS 19 HB3 LYS 19 6.387 4.622 3.607 131 HG2 LYS 19 HG2 LYS 19 7.810 4.882 5.543 132 HG3 LYS 19 HG3 LYS 19 8.993 5.771 4.581 133 HD2 LYS 19 HD2 LYS 19 7.254 7.479 4.119 134 HD3 LYS 19 HD3 LYS 19 6.167 6.614 5.205 135 HE2 LYS 19 HE2 LYS 19 8.838 7.784 5.976 136 HE3 LYS 19 HE3 LYS 19 7.271 8.527 6.297 137 HZ1 LYS 19 HZ1 LYS 19 8.094 7.329 8.195 138 HZ2 LYS 19 HZ2 LYS 19 8.170 5.944 7.355 139 HZ3 LYS 19 HZ3 LYS 19 6.726 6.632 7.653 140 H VAL 20 H VAL 20 6.291 1.949 3.087 141 HA VAL 20 HA VAL 20 6.561 1.105 5.799 142 HB VAL 20 HB VAL 20 4.890 -0.122 3.598 143 HG11 VAL 20 HG11 VAL 20 5.237 -1.645 5.477 144 HG12 VAL 20 HG12 VAL 20 3.568 -1.079 5.422 145 HG13 VAL 20 HG13 VAL 20 4.693 -0.398 6.597 146 HG21 VAL 20 HG21 VAL 20 4.169 1.930 5.691 147 HG22 VAL 20 HG22 VAL 20 3.043 1.173 4.563 148 HG23 VAL 20 HG23 VAL 20 4.326 2.221 3.959 149 H ILE 21 H ILE 21 6.883 -0.753 2.738 150 HA ILE 21 HA ILE 21 8.430 -2.724 4.285 151 HB ILE 21 HB ILE 21 7.888 -4.372 2.579 152 HG12 ILE 21 HG12 ILE 21 6.097 -2.299 1.311 153 HG13 ILE 21 HG13 ILE 21 7.703 -2.684 0.701 154 HG21 ILE 21 HG21 ILE 21 5.469 -2.912 3.623 155 HG22 ILE 21 HG22 ILE 21 6.400 -4.143 4.478 156 HG23 ILE 21 HG23 ILE 21 5.486 -4.573 3.032 157 HD11 ILE 21 HD11 ILE 21 7.021 -4.970 0.285 158 HD12 ILE 21 HD12 ILE 21 5.939 -3.842 -0.532 159 HD13 ILE 21 HD13 ILE 21 5.427 -4.635 0.959 160 H GLY 22 H GLY 22 8.860 -0.273 2.072 161 HA2 GLY 22 HA2 GLY 22 10.938 0.440 1.287 162 HA3 GLY 22 HA3 GLY 22 11.598 -1.143 1.655 163 H VAL 23 H VAL 23 8.726 -1.355 -0.104 164 HA VAL 23 HA VAL 23 10.223 -1.493 -2.639 165 HB VAL 23 HB VAL 23 7.775 -3.137 -2.148 166 HG11 VAL 23 HG11 VAL 23 10.082 -3.386 -4.047 167 HG12 VAL 23 HG12 VAL 23 8.445 -2.865 -4.433 168 HG13 VAL 23 HG13 VAL 23 8.746 -4.528 -3.927 169 HG21 VAL 23 HG21 VAL 23 10.606 -3.972 -1.544 170 HG22 VAL 23 HG22 VAL 23 9.228 -5.066 -1.621 171 HG23 VAL 23 HG23 VAL 23 9.287 -3.811 -0.386 172 H ALA 24 H ALA 24 9.154 -0.745 -4.457 173 HA ALA 24 HA ALA 24 7.117 1.237 -3.804 174 HB1 ALA 24 HB1 ALA 24 9.123 2.030 -4.953 175 HB2 ALA 24 HB2 ALA 24 7.687 2.274 -5.945 176 HB3 ALA 24 HB3 ALA 24 8.788 0.942 -6.299 177 H ALA 25 H ALA 25 6.150 -1.281 -3.774 178 HA ALA 25 HA ALA 25 4.337 -1.174 -6.080 179 HB1 ALA 25 HB1 ALA 25 4.174 -3.602 -6.070 180 HB2 ALA 25 HB2 ALA 25 5.351 -3.688 -4.759 181 HB3 ALA 25 HB3 ALA 25 5.839 -3.088 -6.346 182 H GLY 26 H GLY 26 2.415 -0.620 -5.393 183 HA2 GLY 26 HA2 GLY 26 1.226 -1.843 -3.063 184 HA3 GLY 26 HA3 GLY 26 1.568 -0.125 -2.883 185 H LYS 27 H LYS 27 -0.804 -2.194 -3.569 186 HA LYS 27 HA LYS 27 -2.016 -0.537 -5.683 187 HB2 LYS 27 HB2 LYS 27 -1.629 -2.949 -6.185 188 HB3 LYS 27 HB3 LYS 27 -2.694 -3.359 -4.854 189 HG2 LYS 27 HG2 LYS 27 -4.550 -2.278 -5.982 190 HG3 LYS 27 HG3 LYS 27 -3.486 -1.833 -7.316 191 HD2 LYS 27 HD2 LYS 27 -4.751 -3.796 -7.921 192 HD3 LYS 27 HD3 LYS 27 -3.056 -4.237 -7.719 193 HE2 LYS 27 HE2 LYS 27 -3.541 -5.095 -5.486 194 HE3 LYS 27 HE3 LYS 27 -5.229 -4.623 -5.662 195 HZ1 LYS 27 HZ1 LYS 27 -3.826 -6.619 -7.287 196 HZ2 LYS 27 HZ2 LYS 27 -5.373 -6.169 -7.502 197 HZ3 LYS 27 HZ3 LYS 27 -4.935 -6.935 -6.140 198 H CYS 28 H CYS 28 -4.337 -0.163 -5.522 199 HA CYS 28 HA CYS 28 -5.103 0.292 -2.725 200 HB2 CYS 28 HB2 CYS 28 -5.030 2.295 -4.092 201 HB3 CYS 28 HB3 CYS 28 -6.081 1.554 -5.292 202 H ILE 29 H ILE 29 -6.607 -0.946 -1.837 203 HA ILE 29 HA ILE 29 -8.663 -2.127 -3.586 204 HB ILE 29 HB ILE 29 -7.467 -3.494 -1.168 205 HG12 ILE 29 HG12 ILE 29 -7.155 -4.145 -4.112 206 HG13 ILE 29 HG13 ILE 29 -5.899 -3.473 -3.077 207 HG21 ILE 29 HG21 ILE 29 -9.814 -4.015 -1.496 208 HG22 ILE 29 HG22 ILE 29 -8.821 -5.412 -1.911 209 HG23 ILE 29 HG23 ILE 29 -9.513 -4.411 -3.187 210 HD11 ILE 29 HD11 ILE 29 -7.195 -6.172 -2.748 211 HD12 ILE 29 HD12 ILE 29 -5.919 -5.503 -1.729 212 HD13 ILE 29 HD13 ILE 29 -5.597 -5.862 -3.426 213 H ASN 30 H ASN 30 -10.342 -0.864 -3.133 214 HA ASN 30 HA ASN 30 -12.044 0.132 -2.045 215 HB2 ASN 30 HB2 ASN 30 -11.568 -2.205 -0.193 216 HB3 ASN 30 HB3 ASN 30 -12.983 -1.165 -0.143 217 HD21 ASN 30 HD21 ASN 30 -12.729 -4.041 -0.701 218 HD22 ASN 30 HD22 ASN 30 -13.465 -4.281 -2.238 219 H GLY 31 H GLY 31 -9.659 1.413 -1.530 220 HA2 GLY 31 HA2 GLY 31 -9.360 3.331 -0.188 221 HA3 GLY 31 HA3 GLY 31 -10.334 2.582 1.064 222 H ARG 32 H ARG 32 -8.595 0.072 0.590 223 HA ARG 32 HA ARG 32 -6.508 0.930 2.475 224 HB2 ARG 32 HB2 ARG 32 -7.317 -1.906 1.791 225 HB3 ARG 32 HB3 ARG 32 -6.350 -1.371 3.158 226 HG2 ARG 32 HG2 ARG 32 -9.266 -0.747 2.735 227 HG3 ARG 32 HG3 ARG 32 -8.630 -1.995 3.804 228 HD2 ARG 32 HD2 ARG 32 -7.479 -0.277 5.117 229 HD3 ARG 32 HD3 ARG 32 -8.118 0.967 4.043 230 HE ARG 32 HE ARG 32 -10.259 -0.527 5.049 231 HH11 ARG 32 HH11 ARG 32 -7.856 1.739 6.193 232 HH12 ARG 32 HH12 ARG 32 -8.846 2.334 7.485 233 HH21 ARG 32 HH21 ARG 32 -11.575 0.265 6.732 234 HH22 ARG 32 HH22 ARG 32 -10.970 1.505 7.786 235 H CYS 33 H CYS 33 -4.365 -0.250 2.221 236 HA CYS 33 HA CYS 33 -3.706 -0.350 -0.643 237 HB2 CYS 33 HB2 CYS 33 -2.088 0.798 1.620 238 HB3 CYS 33 HB3 CYS 33 -1.497 0.600 -0.028 239 H VAL 34 H VAL 34 -2.864 -2.156 -1.351 240 HA VAL 34 HA VAL 34 -1.722 -4.037 0.591 241 HB VAL 34 HB VAL 34 -3.486 -5.062 -0.647 242 HG11 VAL 34 HG11 VAL 34 -3.805 -3.682 -2.489 243 HG12 VAL 34 HG12 VAL 34 -3.308 -5.235 -3.164 244 HG13 VAL 34 HG13 VAL 34 -2.151 -3.906 -3.046 245 HG21 VAL 34 HG21 VAL 34 -1.553 -6.481 -0.270 246 HG22 VAL 34 HG22 VAL 34 -0.856 -5.949 -1.800 247 HG23 VAL 34 HG23 VAL 34 -2.346 -6.892 -1.792 248 H CYS 35 H CYS 35 0.368 -4.227 0.689 249 HA CYS 35 HA CYS 35 2.036 -3.036 -1.364 250 HB2 CYS 35 HB2 CYS 35 2.746 -4.236 1.319 251 HB3 CYS 35 HB3 CYS 35 3.849 -3.361 0.262 252 H TYR 36 H TYR 36 3.450 -4.103 -2.638 253 HA TYR 36 HA TYR 36 3.334 -7.052 -2.534 254 HB2 TYR 36 HB2 TYR 36 3.400 -5.190 -4.910 255 HB3 TYR 36 HB3 TYR 36 3.767 -6.906 -5.042 256 HD1 TYR 36 HD1 TYR 36 2.043 -8.520 -5.123 257 HD2 TYR 36 HD2 TYR 36 1.075 -4.480 -4.198 258 HE1 TYR 36 HE1 TYR 36 -0.339 -9.028 -5.410 259 HE2 TYR 36 HE2 TYR 36 -1.317 -4.982 -4.481 260 HH TYR 36 HH TYR 36 -2.508 -8.173 -4.721 261 HA PRO 37 HA PRO 37 7.758 -6.313 -2.191 262 HB2 PRO 37 HB2 PRO 37 8.281 -8.549 -0.744 263 HB3 PRO 37 HB3 PRO 37 7.649 -7.064 -0.034 264 HG2 PRO 37 HG2 PRO 37 6.309 -9.628 -0.476 265 HG3 PRO 37 HG3 PRO 37 5.852 -8.293 0.589 266 HD2 PRO 37 HD2 PRO 37 4.805 -8.960 -2.014 267 HD3 PRO 37 HD3 PRO 37 4.282 -7.677 -0.907 Start of MODEL 8 1 H PCA 1 H PCA 1 0.687 -11.300 -0.026 2 HA PCA 1 HA PCA 1 1.513 -9.004 -1.257 3 HB2 PCA 1 HB2 PCA 1 -0.241 -8.390 -2.535 4 HB3 PCA 1 HB3 PCA 1 -1.371 -8.746 -1.222 5 HG2 PCA 1 HG2 PCA 1 -0.723 -10.374 -3.543 6 HG3 PCA 1 HG3 PCA 1 -1.949 -10.678 -2.282 7 HT2 PCA 1 HT2 PCA 1 1.804 -11.098 -1.140 8 H ILE 2 H ILE 2 1.218 -7.275 0.175 9 HA ILE 2 HA ILE 2 0.351 -8.158 2.847 10 HB ILE 2 HB ILE 2 2.350 -6.017 2.111 11 HG12 ILE 2 HG12 ILE 2 2.746 -8.750 3.354 12 HG13 ILE 2 HG13 ILE 2 3.146 -8.318 1.695 13 HG21 ILE 2 HG21 ILE 2 1.524 -7.072 4.809 14 HG22 ILE 2 HG22 ILE 2 1.156 -5.476 4.161 15 HG23 ILE 2 HG23 ILE 2 2.827 -5.923 4.512 16 HD11 ILE 2 HD11 ILE 2 5.123 -8.356 3.094 17 HD12 ILE 2 HD12 ILE 2 4.401 -7.163 4.173 18 HD13 ILE 2 HD13 ILE 2 4.801 -6.722 2.514 19 H GLU 3 H GLU 3 -1.792 -7.542 2.763 20 HA GLU 3 HA GLU 3 -2.667 -4.943 2.036 21 HB2 GLU 3 HB2 GLU 3 -3.954 -7.108 3.697 22 HB3 GLU 3 HB3 GLU 3 -4.762 -5.613 3.256 23 HG2 GLU 3 HG2 GLU 3 -4.578 -6.175 0.906 24 HG3 GLU 3 HG3 GLU 3 -3.693 -7.646 1.311 25 H THR 4 H THR 4 -2.382 -3.120 3.108 26 HA THR 4 HA THR 4 -1.897 -3.239 6.013 27 HB THR 4 HB THR 4 -0.685 -1.095 5.742 28 HG1 THR 4 HG1 THR 4 -0.204 -1.154 3.119 29 HG21 THR 4 HG21 THR 4 0.339 -3.314 3.966 30 HG22 THR 4 HG22 THR 4 0.575 -3.192 5.709 31 HG23 THR 4 HG23 THR 4 1.309 -2.002 4.636 32 H ASN 5 H ASN 5 -2.638 -1.284 7.216 33 HA ASN 5 HA ASN 5 -5.349 -0.649 6.386 34 HB2 ASN 5 HB2 ASN 5 -5.684 0.182 8.618 35 HB3 ASN 5 HB3 ASN 5 -4.816 -1.343 8.736 36 HD21 ASN 5 HD21 ASN 5 -5.013 1.015 10.529 37 HD22 ASN 5 HD22 ASN 5 -3.377 1.470 10.855 38 H LYS 6 H LYS 6 -2.740 0.558 5.280 39 HA LYS 6 HA LYS 6 -2.982 3.356 5.991 40 HB2 LYS 6 HB2 LYS 6 -1.168 1.949 4.023 41 HB3 LYS 6 HB3 LYS 6 -1.055 3.647 4.469 42 HG2 LYS 6 HG2 LYS 6 -0.711 1.328 6.361 43 HG3 LYS 6 HG3 LYS 6 0.599 2.258 5.634 44 HD2 LYS 6 HD2 LYS 6 -0.225 4.280 6.738 45 HD3 LYS 6 HD3 LYS 6 -1.543 3.355 7.458 46 HE2 LYS 6 HE2 LYS 6 1.387 2.818 7.915 47 HE3 LYS 6 HE3 LYS 6 0.358 3.747 9.002 48 HZ1 LYS 6 HZ1 LYS 6 -0.028 0.923 8.301 49 HZ2 LYS 6 HZ2 LYS 6 -0.985 1.779 9.298 50 HZ3 LYS 6 HZ3 LYS 6 0.558 1.476 9.716 51 H LYS 7 H LYS 7 -3.304 5.019 4.416 52 HA LYS 7 HA LYS 7 -5.394 4.399 2.555 53 HB2 LYS 7 HB2 LYS 7 -3.981 7.014 3.119 54 HB3 LYS 7 HB3 LYS 7 -5.468 6.820 2.212 55 HG2 LYS 7 HG2 LYS 7 -5.060 6.284 5.141 56 HG3 LYS 7 HG3 LYS 7 -5.995 7.593 4.418 57 HD2 LYS 7 HD2 LYS 7 -6.612 4.659 4.108 58 HD3 LYS 7 HD3 LYS 7 -7.396 5.732 5.268 59 HE2 LYS 7 HE2 LYS 7 -8.262 7.100 3.455 60 HE3 LYS 7 HE3 LYS 7 -7.418 6.099 2.274 61 HZ1 LYS 7 HZ1 LYS 7 -9.751 5.525 2.497 62 HZ2 LYS 7 HZ2 LYS 7 -9.535 5.131 4.061 63 HZ3 LYS 7 HZ3 LYS 7 -8.793 4.270 2.896 64 H CYS 8 H CYS 8 -5.362 4.743 0.350 65 HA CYS 8 HA CYS 8 -2.968 3.892 -0.932 66 HB2 CYS 8 HB2 CYS 8 -5.411 4.958 -2.324 67 HB3 CYS 8 HB3 CYS 8 -4.288 3.720 -2.878 68 H GLN 9 H GLN 9 -2.054 4.971 -2.858 69 HA GLN 9 HA GLN 9 -1.744 7.851 -2.317 70 HB2 GLN 9 HB2 GLN 9 0.260 6.286 -2.125 71 HB3 GLN 9 HB3 GLN 9 0.140 6.065 -3.864 72 HG2 GLN 9 HG2 GLN 9 1.789 7.693 -3.551 73 HG3 GLN 9 HG3 GLN 9 0.351 8.581 -4.056 74 HE21 GLN 9 HE21 GLN 9 -0.737 9.866 -2.545 75 HE22 GLN 9 HE22 GLN 9 0.002 10.340 -1.054 76 H GLY 10 H GLY 10 -3.856 7.885 -3.605 77 HA2 GLY 10 HA2 GLY 10 -4.851 8.704 -5.510 78 HA3 GLY 10 HA3 GLY 10 -3.248 8.862 -6.208 79 H GLY 11 H GLY 11 -4.981 5.980 -5.072 80 HA2 GLY 11 HA2 GLY 11 -6.118 4.476 -6.566 81 HA3 GLY 11 HA3 GLY 11 -5.077 5.040 -7.860 82 H SER 12 H SER 12 -2.664 4.870 -6.202 83 HA SER 12 HA SER 12 -2.393 1.936 -6.121 84 HB2 SER 12 HB2 SER 12 -0.063 2.241 -6.713 85 HB3 SER 12 HB3 SER 12 -1.069 3.102 -7.876 86 HG SER 12 HG SER 12 -0.083 4.860 -7.342 87 H CYS 13 H CYS 13 0.040 1.819 -4.802 88 HA CYS 13 HA CYS 13 -0.149 3.522 -2.446 89 HB2 CYS 13 HB2 CYS 13 -1.380 1.379 -1.968 90 HB3 CYS 13 HB3 CYS 13 0.135 0.519 -2.219 91 H ALA 14 H ALA 14 1.525 3.344 -4.793 92 HA ALA 14 HA ALA 14 3.927 2.009 -4.481 93 HB1 ALA 14 HB1 ALA 14 3.247 3.139 -6.536 94 HB2 ALA 14 HB2 ALA 14 4.867 3.625 -6.039 95 HB3 ALA 14 HB3 ALA 14 3.498 4.704 -5.764 96 H SER 15 H SER 15 3.398 5.460 -3.683 97 HA SER 15 HA SER 15 5.942 5.729 -2.476 98 HB2 SER 15 HB2 SER 15 3.528 7.524 -2.178 99 HB3 SER 15 HB3 SER 15 5.207 7.961 -1.858 100 HG SER 15 HG SER 15 4.440 8.631 -3.947 101 H VAL 16 H VAL 16 2.937 4.580 -1.244 102 HA VAL 16 HA VAL 16 3.499 5.178 1.513 103 HB VAL 16 HB VAL 16 1.496 3.247 0.327 104 HG11 VAL 16 HG11 VAL 16 2.070 2.761 2.683 105 HG12 VAL 16 HG12 VAL 16 0.393 3.267 2.473 106 HG13 VAL 16 HG13 VAL 16 1.587 4.403 3.113 107 HG21 VAL 16 HG21 VAL 16 1.132 6.076 1.300 108 HG22 VAL 16 HG22 VAL 16 -0.148 5.006 0.730 109 HG23 VAL 16 HG23 VAL 16 1.108 5.548 -0.381 110 H CYS 17 H CYS 17 3.285 2.127 -0.329 111 HA CYS 17 HA CYS 17 4.419 0.485 1.621 112 HB2 CYS 17 HB2 CYS 17 4.402 0.196 -1.385 113 HB3 CYS 17 HB3 CYS 17 4.836 -1.086 -0.259 114 H ARG 18 H ARG 18 5.891 2.536 -0.782 115 HA ARG 18 HA ARG 18 8.500 1.583 -0.791 116 HB2 ARG 18 HB2 ARG 18 7.729 3.303 -2.324 117 HB3 ARG 18 HB3 ARG 18 7.470 4.421 -0.994 118 HG2 ARG 18 HG2 ARG 18 9.864 4.499 -0.571 119 HG3 ARG 18 HG3 ARG 18 10.137 3.336 -1.870 120 HD2 ARG 18 HD2 ARG 18 9.187 4.903 -3.478 121 HD3 ARG 18 HD3 ARG 18 8.896 6.065 -2.186 122 HE ARG 18 HE ARG 18 11.639 5.291 -2.329 123 HH11 ARG 18 HH11 ARG 18 9.231 7.348 -3.820 124 HH12 ARG 18 HH12 ARG 18 10.387 8.517 -4.371 125 HH21 ARG 18 HH21 ARG 18 13.169 6.823 -3.068 126 HH22 ARG 18 HH22 ARG 18 12.626 8.212 -3.959 127 H LYS 19 H LYS 19 6.827 3.585 1.553 128 HA LYS 19 HA LYS 19 9.272 4.001 3.078 129 HB2 LYS 19 HB2 LYS 19 7.667 5.858 2.777 130 HB3 LYS 19 HB3 LYS 19 6.448 4.927 3.636 131 HG2 LYS 19 HG2 LYS 19 7.790 4.985 5.656 132 HG3 LYS 19 HG3 LYS 19 9.069 5.848 4.801 133 HD2 LYS 19 HD2 LYS 19 6.257 6.862 5.233 134 HD3 LYS 19 HD3 LYS 19 7.673 7.354 6.162 135 HE2 LYS 19 HE2 LYS 19 7.257 7.761 3.200 136 HE3 LYS 19 HE3 LYS 19 7.128 8.999 4.444 137 HZ1 LYS 19 HZ1 LYS 19 9.466 8.613 4.928 138 HZ2 LYS 19 HZ2 LYS 19 9.249 9.107 3.397 139 HZ3 LYS 19 HZ3 LYS 19 9.566 7.545 3.706 140 H VAL 20 H VAL 20 6.254 2.210 3.239 141 HA VAL 20 HA VAL 20 6.547 1.382 5.948 142 HB VAL 20 HB VAL 20 4.865 0.147 3.759 143 HG11 VAL 20 HG11 VAL 20 3.558 -0.831 5.584 144 HG12 VAL 20 HG12 VAL 20 4.692 -0.160 6.757 145 HG13 VAL 20 HG13 VAL 20 5.229 -1.395 5.619 146 HG21 VAL 20 HG21 VAL 20 3.026 1.431 4.733 147 HG22 VAL 20 HG22 VAL 20 4.313 2.492 4.157 148 HG23 VAL 20 HG23 VAL 20 4.144 2.165 5.882 149 H ILE 21 H ILE 21 6.847 -0.526 2.915 150 HA ILE 21 HA ILE 21 8.362 -2.493 4.481 151 HB ILE 21 HB ILE 21 7.934 -4.098 2.676 152 HG12 ILE 21 HG12 ILE 21 6.083 -2.038 1.476 153 HG13 ILE 21 HG13 ILE 21 7.715 -2.312 0.882 154 HG21 ILE 21 HG21 ILE 21 5.448 -2.753 3.725 155 HG22 ILE 21 HG22 ILE 21 6.411 -3.965 4.570 156 HG23 ILE 21 HG23 ILE 21 5.544 -4.399 3.097 157 HD11 ILE 21 HD11 ILE 21 6.036 -3.490 -0.443 158 HD12 ILE 21 HD12 ILE 21 5.541 -4.385 0.996 159 HD13 ILE 21 HD13 ILE 21 7.162 -4.601 0.336 160 H GLY 22 H GLY 22 8.606 -0.368 1.708 161 HA2 GLY 22 HA2 GLY 22 10.948 0.432 1.397 162 HA3 GLY 22 HA3 GLY 22 11.414 -1.257 1.412 163 H VAL 23 H VAL 23 8.943 -1.888 -0.185 164 HA VAL 23 HA VAL 23 10.157 -1.279 -2.771 165 HB VAL 23 HB VAL 23 7.798 -3.083 -2.466 166 HG11 VAL 23 HG11 VAL 23 10.188 -3.060 -4.283 167 HG12 VAL 23 HG12 VAL 23 8.552 -2.539 -4.686 168 HG13 VAL 23 HG13 VAL 23 8.877 -4.239 -4.344 169 HG21 VAL 23 HG21 VAL 23 9.332 -3.824 -0.719 170 HG22 VAL 23 HG22 VAL 23 10.648 -3.885 -1.892 171 HG23 VAL 23 HG23 VAL 23 9.281 -4.990 -2.042 172 H ALA 24 H ALA 24 8.905 -0.457 -4.499 173 HA ALA 24 HA ALA 24 6.827 1.362 -3.524 174 HB1 ALA 24 HB1 ALA 24 8.775 2.354 -4.640 175 HB2 ALA 24 HB2 ALA 24 7.275 2.689 -5.502 176 HB3 ALA 24 HB3 ALA 24 8.381 1.455 -6.105 177 H ALA 25 H ALA 25 6.373 -1.485 -4.177 178 HA ALA 25 HA ALA 25 4.414 -1.148 -6.337 179 HB1 ALA 25 HB1 ALA 25 5.954 -3.006 -6.677 180 HB2 ALA 25 HB2 ALA 25 4.312 -3.594 -6.424 181 HB3 ALA 25 HB3 ALA 25 5.492 -3.687 -5.118 182 H GLY 26 H GLY 26 2.388 -0.847 -5.757 183 HA2 GLY 26 HA2 GLY 26 1.161 -2.263 -3.605 184 HA3 GLY 26 HA3 GLY 26 1.477 -0.586 -3.184 185 H LYS 27 H LYS 27 -1.010 -2.221 -3.743 186 HA LYS 27 HA LYS 27 -2.163 -0.451 -5.804 187 HB2 LYS 27 HB2 LYS 27 -2.905 -3.307 -5.133 188 HB3 LYS 27 HB3 LYS 27 -3.764 -2.288 -6.283 189 HG2 LYS 27 HG2 LYS 27 -1.824 -2.168 -7.700 190 HG3 LYS 27 HG3 LYS 27 -0.859 -3.044 -6.514 191 HD2 LYS 27 HD2 LYS 27 -1.498 -4.547 -8.283 192 HD3 LYS 27 HD3 LYS 27 -2.350 -4.998 -6.807 193 HE2 LYS 27 HE2 LYS 27 -4.372 -3.984 -7.590 194 HE3 LYS 27 HE3 LYS 27 -3.542 -3.284 -8.979 195 HZ1 LYS 27 HZ1 LYS 27 -3.881 -6.159 -8.509 196 HZ2 LYS 27 HZ2 LYS 27 -3.182 -5.484 -9.811 197 HZ3 LYS 27 HZ3 LYS 27 -4.771 -5.276 -9.545 198 H CYS 28 H CYS 28 -4.657 -0.407 -5.528 199 HA CYS 28 HA CYS 28 -5.169 0.137 -2.677 200 HB2 CYS 28 HB2 CYS 28 -5.040 2.159 -4.132 201 HB3 CYS 28 HB3 CYS 28 -6.405 1.538 -5.053 202 H ILE 29 H ILE 29 -6.758 -0.949 -1.749 203 HA ILE 29 HA ILE 29 -8.875 -2.089 -3.459 204 HB ILE 29 HB ILE 29 -7.773 -3.372 -0.952 205 HG12 ILE 29 HG12 ILE 29 -7.406 -4.240 -3.830 206 HG13 ILE 29 HG13 ILE 29 -6.172 -3.430 -2.869 207 HG21 ILE 29 HG21 ILE 29 -9.155 -5.281 -1.621 208 HG22 ILE 29 HG22 ILE 29 -9.752 -4.363 -3.003 209 HG23 ILE 29 HG23 ILE 29 -10.131 -3.834 -1.365 210 HD11 ILE 29 HD11 ILE 29 -7.400 -6.106 -2.252 211 HD12 ILE 29 HD12 ILE 29 -6.143 -5.298 -1.315 212 HD13 ILE 29 HD13 ILE 29 -5.810 -5.833 -2.962 213 H ASN 30 H ASN 30 -10.549 -0.781 -3.074 214 HA ASN 30 HA ASN 30 -12.239 0.302 -2.047 215 HB2 ASN 30 HB2 ASN 30 -11.622 -1.629 0.191 216 HB3 ASN 30 HB3 ASN 30 -13.073 -0.654 0.059 217 HD21 ASN 30 HD21 ASN 30 -12.682 -3.558 0.134 218 HD22 ASN 30 HD22 ASN 30 -13.468 -4.166 -1.273 219 H GLY 31 H GLY 31 -9.621 1.460 -1.768 220 HA2 GLY 31 HA2 GLY 31 -8.976 3.472 -0.782 221 HA3 GLY 31 HA3 GLY 31 -10.251 3.268 0.410 222 H ARG 32 H ARG 32 -8.386 0.491 0.048 223 HA ARG 32 HA ARG 32 -6.648 1.253 2.299 224 HB2 ARG 32 HB2 ARG 32 -8.076 -1.346 1.737 225 HB3 ARG 32 HB3 ARG 32 -6.708 -1.249 2.836 226 HG2 ARG 32 HG2 ARG 32 -9.176 0.429 3.152 227 HG3 ARG 32 HG3 ARG 32 -8.978 -1.155 3.904 228 HD2 ARG 32 HD2 ARG 32 -7.017 -0.372 5.096 229 HD3 ARG 32 HD3 ARG 32 -7.118 1.189 4.287 230 HE ARG 32 HE ARG 32 -9.144 1.624 5.515 231 HH11 ARG 32 HH11 ARG 32 -7.344 -1.176 6.600 232 HH12 ARG 32 HH12 ARG 32 -7.955 -1.095 8.220 233 HH21 ARG 32 HH21 ARG 32 -9.967 1.709 7.635 234 HH22 ARG 32 HH22 ARG 32 -9.453 0.535 8.805 235 H CYS 33 H CYS 33 -4.587 0.150 2.370 236 HA CYS 33 HA CYS 33 -3.531 0.042 -0.341 237 HB2 CYS 33 HB2 CYS 33 -2.388 1.635 0.953 238 HB3 CYS 33 HB3 CYS 33 -2.298 0.577 2.356 239 H VAL 34 H VAL 34 -2.444 -1.654 -1.177 240 HA VAL 34 HA VAL 34 -1.790 -3.882 0.609 241 HB VAL 34 HB VAL 34 -3.732 -4.644 -0.564 242 HG11 VAL 34 HG11 VAL 34 -3.889 -3.158 -2.388 243 HG12 VAL 34 HG12 VAL 34 -3.738 -4.782 -3.063 244 HG13 VAL 34 HG13 VAL 34 -2.346 -3.697 -3.045 245 HG21 VAL 34 HG21 VAL 34 -1.261 -5.819 -1.816 246 HG22 VAL 34 HG22 VAL 34 -2.851 -6.580 -1.775 247 HG23 VAL 34 HG23 VAL 34 -1.974 -6.290 -0.272 248 H CYS 35 H CYS 35 0.298 -4.133 0.631 249 HA CYS 35 HA CYS 35 1.940 -2.980 -1.449 250 HB2 CYS 35 HB2 CYS 35 2.665 -4.372 1.134 251 HB3 CYS 35 HB3 CYS 35 3.806 -3.568 0.060 252 H TYR 36 H TYR 36 3.296 -4.046 -2.804 253 HA TYR 36 HA TYR 36 3.038 -6.982 -2.866 254 HB2 TYR 36 HB2 TYR 36 2.920 -4.979 -5.102 255 HB3 TYR 36 HB3 TYR 36 3.403 -6.642 -5.409 256 HD1 TYR 36 HD1 TYR 36 1.806 -8.358 -5.576 257 HD2 TYR 36 HD2 TYR 36 0.624 -4.541 -4.123 258 HE1 TYR 36 HE1 TYR 36 -0.548 -9.039 -5.719 259 HE2 TYR 36 HE2 TYR 36 -1.732 -5.213 -4.265 260 HH TYR 36 HH TYR 36 -2.708 -8.436 -4.716 261 HA PRO 37 HA PRO 37 7.533 -6.333 -2.790 262 HB2 PRO 37 HB2 PRO 37 7.830 -8.472 -0.974 263 HB3 PRO 37 HB3 PRO 37 7.868 -6.751 -0.590 264 HG2 PRO 37 HG2 PRO 37 5.909 -8.593 0.219 265 HG3 PRO 37 HG3 PRO 37 5.805 -6.830 0.332 266 HD2 PRO 37 HD2 PRO 37 4.634 -8.676 -1.688 267 HD3 PRO 37 HD3 PRO 37 4.013 -7.131 -1.067 Start of MODEL 9 1 H PCA 1 H PCA 1 0.220 -11.357 0.613 2 HA PCA 1 HA PCA 1 1.646 -9.318 -0.436 3 HB2 PCA 1 HB2 PCA 1 0.318 -8.396 -2.007 4 HB3 PCA 1 HB3 PCA 1 -1.023 -8.345 -0.855 5 HG2 PCA 1 HG2 PCA 1 -0.607 -10.206 -3.032 6 HG3 PCA 1 HG3 PCA 1 -1.984 -10.124 -1.899 7 HT2 PCA 1 HT2 PCA 1 1.428 -11.415 -0.419 8 H ILE 2 H ILE 2 1.013 -7.277 0.733 9 HA ILE 2 HA ILE 2 -0.159 -8.009 3.339 10 HB ILE 2 HB ILE 2 1.808 -5.772 2.843 11 HG12 ILE 2 HG12 ILE 2 2.364 -8.532 3.963 12 HG13 ILE 2 HG13 ILE 2 2.828 -7.989 2.353 13 HG21 ILE 2 HG21 ILE 2 0.882 -7.116 5.381 14 HG22 ILE 2 HG22 ILE 2 0.369 -5.529 4.810 15 HG23 ILE 2 HG23 ILE 2 2.050 -5.799 5.272 16 HD11 ILE 2 HD11 ILE 2 4.265 -6.283 3.350 17 HD12 ILE 2 HD12 ILE 2 4.707 -7.905 3.880 18 HD13 ILE 2 HD13 ILE 2 3.806 -6.840 4.958 19 H GLU 3 H GLU 3 -2.281 -7.410 2.845 20 HA GLU 3 HA GLU 3 -2.911 -4.761 1.945 21 HB2 GLU 3 HB2 GLU 3 -4.705 -6.777 3.310 22 HB3 GLU 3 HB3 GLU 3 -5.234 -5.327 2.476 23 HG2 GLU 3 HG2 GLU 3 -5.646 -6.962 0.917 24 HG3 GLU 3 HG3 GLU 3 -4.061 -6.379 0.419 25 H THR 4 H THR 4 -2.323 -3.112 3.220 26 HA THR 4 HA THR 4 -2.521 -3.390 6.126 27 HB THR 4 HB THR 4 -1.244 -1.302 6.239 28 HG1 THR 4 HG1 THR 4 -1.402 -1.382 3.387 29 HG21 THR 4 HG21 THR 4 0.847 -2.081 5.209 30 HG22 THR 4 HG22 THR 4 -0.063 -3.282 4.290 31 HG23 THR 4 HG23 THR 4 0.006 -3.384 6.049 32 H ASN 5 H ASN 5 -3.346 -1.430 7.337 33 HA ASN 5 HA ASN 5 -5.926 -0.715 6.187 34 HB2 ASN 5 HB2 ASN 5 -6.526 0.029 8.453 35 HB3 ASN 5 HB3 ASN 5 -5.944 -1.628 8.446 36 HD21 ASN 5 HD21 ASN 5 -4.023 -2.129 9.450 37 HD22 ASN 5 HD22 ASN 5 -3.214 -1.025 10.512 38 H LYS 6 H LYS 6 -3.434 0.536 5.278 39 HA LYS 6 HA LYS 6 -3.799 3.311 6.100 40 HB2 LYS 6 HB2 LYS 6 -1.719 1.855 4.507 41 HB3 LYS 6 HB3 LYS 6 -1.869 3.601 4.371 42 HG2 LYS 6 HG2 LYS 6 -1.529 3.812 6.788 43 HG3 LYS 6 HG3 LYS 6 -1.353 2.061 6.906 44 HD2 LYS 6 HD2 LYS 6 0.388 3.732 5.115 45 HD3 LYS 6 HD3 LYS 6 0.789 3.439 6.807 46 HE2 LYS 6 HE2 LYS 6 0.294 1.269 4.772 47 HE3 LYS 6 HE3 LYS 6 1.888 1.875 5.217 48 HZ1 LYS 6 HZ1 LYS 6 1.444 1.177 7.470 49 HZ2 LYS 6 HZ2 LYS 6 1.344 -0.088 6.457 50 HZ3 LYS 6 HZ3 LYS 6 -0.010 0.588 7.043 51 H LYS 7 H LYS 7 -4.278 4.960 4.619 52 HA LYS 7 HA LYS 7 -6.154 4.126 2.594 53 HB2 LYS 7 HB2 LYS 7 -5.342 6.918 3.409 54 HB3 LYS 7 HB3 LYS 7 -6.784 6.448 2.530 55 HG2 LYS 7 HG2 LYS 7 -6.145 5.809 5.399 56 HG3 LYS 7 HG3 LYS 7 -7.352 6.955 4.813 57 HD2 LYS 7 HD2 LYS 7 -7.391 3.986 4.284 58 HD3 LYS 7 HD3 LYS 7 -8.319 4.793 5.546 59 HE2 LYS 7 HE2 LYS 7 -9.461 6.130 3.829 60 HE3 LYS 7 HE3 LYS 7 -8.552 5.284 2.579 61 HZ1 LYS 7 HZ1 LYS 7 -10.432 4.028 4.450 62 HZ2 LYS 7 HZ2 LYS 7 -9.603 3.253 3.285 63 HZ3 LYS 7 HZ3 LYS 7 -10.734 4.351 2.882 64 H CYS 8 H CYS 8 -6.022 4.563 0.444 65 HA CYS 8 HA CYS 8 -3.555 4.288 -0.799 66 HB2 CYS 8 HB2 CYS 8 -5.931 5.492 -2.187 67 HB3 CYS 8 HB3 CYS 8 -4.734 4.364 -2.820 68 H GLN 9 H GLN 9 -2.372 5.698 -2.196 69 HA GLN 9 HA GLN 9 -2.636 8.534 -1.445 70 HB2 GLN 9 HB2 GLN 9 -0.657 7.357 -0.464 71 HB3 GLN 9 HB3 GLN 9 -0.086 7.046 -2.095 72 HG2 GLN 9 HG2 GLN 9 1.094 8.919 -1.194 73 HG3 GLN 9 HG3 GLN 9 0.033 9.474 -2.486 74 HE21 GLN 9 HE21 GLN 9 -1.099 8.645 0.718 75 HE22 GLN 9 HE22 GLN 9 -1.517 10.254 1.190 76 H GLY 10 H GLY 10 -4.101 8.365 -3.409 77 HA2 GLY 10 HA2 GLY 10 -4.301 9.481 -5.455 78 HA3 GLY 10 HA3 GLY 10 -2.560 9.370 -5.661 79 H GLY 11 H GLY 11 -5.272 7.075 -5.311 80 HA2 GLY 11 HA2 GLY 11 -6.056 5.553 -6.885 81 HA3 GLY 11 HA3 GLY 11 -4.764 6.044 -7.967 82 H SER 12 H SER 12 -2.638 5.578 -6.064 83 HA SER 12 HA SER 12 -2.774 2.663 -5.725 84 HB2 SER 12 HB2 SER 12 -0.482 4.200 -6.965 85 HB3 SER 12 HB3 SER 12 -0.475 2.474 -6.602 86 HG SER 12 HG SER 12 -2.214 3.821 -8.409 87 H CYS 13 H CYS 13 -0.574 2.009 -4.565 88 HA CYS 13 HA CYS 13 -0.016 3.952 -2.431 89 HB2 CYS 13 HB2 CYS 13 -0.600 1.002 -2.078 90 HB3 CYS 13 HB3 CYS 13 -0.044 2.075 -0.800 91 H ALA 14 H ALA 14 1.419 3.258 -4.838 92 HA ALA 14 HA ALA 14 3.479 1.405 -4.432 93 HB1 ALA 14 HB1 ALA 14 4.605 2.512 -6.289 94 HB2 ALA 14 HB2 ALA 14 3.508 3.886 -6.147 95 HB3 ALA 14 HB3 ALA 14 2.886 2.308 -6.629 96 H SER 15 H SER 15 3.431 4.927 -3.918 97 HA SER 15 HA SER 15 6.109 4.971 -2.919 98 HB2 SER 15 HB2 SER 15 3.953 7.081 -2.718 99 HB3 SER 15 HB3 SER 15 5.680 7.326 -2.451 100 HG SER 15 HG SER 15 4.396 7.504 -4.728 101 H VAL 16 H VAL 16 2.953 4.576 -1.534 102 HA VAL 16 HA VAL 16 3.556 5.077 1.166 103 HB VAL 16 HB VAL 16 1.595 3.100 -0.022 104 HG11 VAL 16 HG11 VAL 16 2.116 2.530 2.296 105 HG12 VAL 16 HG12 VAL 16 0.470 3.146 2.147 106 HG13 VAL 16 HG13 VAL 16 1.745 4.180 2.792 107 HG21 VAL 16 HG21 VAL 16 1.146 5.383 -0.702 108 HG22 VAL 16 HG22 VAL 16 1.221 5.921 0.976 109 HG23 VAL 16 HG23 VAL 16 -0.074 4.843 0.452 110 H CYS 17 H CYS 17 3.457 1.996 -0.609 111 HA CYS 17 HA CYS 17 4.629 0.469 1.461 112 HB2 CYS 17 HB2 CYS 17 4.469 -0.095 -1.505 113 HB3 CYS 17 HB3 CYS 17 4.821 -1.277 -0.248 114 H ARG 18 H ARG 18 5.959 2.455 -1.049 115 HA ARG 18 HA ARG 18 8.565 1.424 -1.174 116 HB2 ARG 18 HB2 ARG 18 7.342 3.261 -2.587 117 HB3 ARG 18 HB3 ARG 18 7.986 4.361 -1.377 118 HG2 ARG 18 HG2 ARG 18 10.256 3.368 -1.899 119 HG3 ARG 18 HG3 ARG 18 9.489 2.625 -3.304 120 HD2 ARG 18 HD2 ARG 18 9.904 5.525 -2.688 121 HD3 ARG 18 HD3 ARG 18 10.379 4.624 -4.124 122 HE ARG 18 HE ARG 18 7.652 5.510 -3.468 123 HH11 ARG 18 HH11 ARG 18 9.974 4.342 -5.814 124 HH12 ARG 18 HH12 ARG 18 8.967 4.701 -7.178 125 HH21 ARG 18 HH21 ARG 18 6.323 6.000 -5.258 126 HH22 ARG 18 HH22 ARG 18 6.885 5.635 -6.860 127 H LYS 19 H LYS 19 6.936 3.509 1.078 128 HA LYS 19 HA LYS 19 9.355 4.158 2.533 129 HB2 LYS 19 HB2 LYS 19 7.586 5.835 2.287 130 HB3 LYS 19 HB3 LYS 19 6.449 4.766 3.091 131 HG2 LYS 19 HG2 LYS 19 7.808 4.894 5.136 132 HG3 LYS 19 HG3 LYS 19 8.892 6.020 4.319 133 HD2 LYS 19 HD2 LYS 19 7.301 7.225 5.710 134 HD3 LYS 19 HD3 LYS 19 7.022 7.577 4.004 135 HE2 LYS 19 HE2 LYS 19 5.186 5.959 3.971 136 HE3 LYS 19 HE3 LYS 19 5.470 5.601 5.672 137 HZ1 LYS 19 HZ1 LYS 19 4.883 7.845 6.192 138 HZ2 LYS 19 HZ2 LYS 19 3.677 7.174 5.332 139 HZ3 LYS 19 HZ3 LYS 19 4.691 8.224 4.620 140 H VAL 20 H VAL 20 6.501 2.120 2.873 141 HA VAL 20 HA VAL 20 6.972 1.366 5.564 142 HB VAL 20 HB VAL 20 5.409 -0.163 3.477 143 HG11 VAL 20 HG11 VAL 20 5.936 -1.474 5.472 144 HG12 VAL 20 HG12 VAL 20 4.213 -1.107 5.384 145 HG13 VAL 20 HG13 VAL 20 5.250 -0.207 6.489 146 HG21 VAL 20 HG21 VAL 20 4.442 1.924 5.428 147 HG22 VAL 20 HG22 VAL 20 3.451 1.010 4.289 148 HG23 VAL 20 HG23 VAL 20 4.643 2.162 3.692 149 H ILE 21 H ILE 21 7.277 -0.638 2.613 150 HA ILE 21 HA ILE 21 9.207 -2.277 4.108 151 HB ILE 21 HB ILE 21 8.630 -4.109 2.523 152 HG12 ILE 21 HG12 ILE 21 6.354 -2.289 1.729 153 HG13 ILE 21 HG13 ILE 21 7.738 -2.673 0.711 154 HG21 ILE 21 HG21 ILE 21 7.656 -3.994 4.755 155 HG22 ILE 21 HG22 ILE 21 6.516 -4.677 3.597 156 HG23 ILE 21 HG23 ILE 21 6.335 -3.007 4.131 157 HD11 ILE 21 HD11 ILE 21 5.835 -4.005 0.070 158 HD12 ILE 21 HD12 ILE 21 5.665 -4.607 1.719 159 HD13 ILE 21 HD13 ILE 21 7.081 -5.042 0.762 160 H GLY 22 H GLY 22 8.929 -0.134 1.502 161 HA2 GLY 22 HA2 GLY 22 11.056 0.728 0.703 162 HA3 GLY 22 HA3 GLY 22 11.656 -0.922 0.697 163 H VAL 23 H VAL 23 9.209 -1.980 -0.558 164 HA VAL 23 HA VAL 23 10.076 -1.486 -3.267 165 HB VAL 23 HB VAL 23 8.632 -3.277 -3.948 166 HG11 VAL 23 HG11 VAL 23 9.946 -3.984 -1.327 167 HG12 VAL 23 HG12 VAL 23 10.748 -3.905 -2.895 168 HG13 VAL 23 HG13 VAL 23 9.499 -5.116 -2.605 169 HG21 VAL 23 HG21 VAL 23 6.679 -2.723 -2.611 170 HG22 VAL 23 HG22 VAL 23 7.515 -3.253 -1.152 171 HG23 VAL 23 HG23 VAL 23 7.119 -4.419 -2.412 172 H ALA 24 H ALA 24 8.862 -0.628 -4.921 173 HA ALA 24 HA ALA 24 6.712 1.136 -4.059 174 HB1 ALA 24 HB1 ALA 24 8.132 0.959 -6.716 175 HB2 ALA 24 HB2 ALA 24 8.513 2.089 -5.417 176 HB3 ALA 24 HB3 ALA 24 6.962 2.194 -6.252 177 H ALA 25 H ALA 25 6.026 -1.481 -3.945 178 HA ALA 25 HA ALA 25 4.127 -1.732 -6.173 179 HB1 ALA 25 HB1 ALA 25 4.115 -4.119 -5.833 180 HB2 ALA 25 HB2 ALA 25 5.225 -3.963 -4.472 181 HB3 ALA 25 HB3 ALA 25 5.768 -3.568 -6.102 182 H GLY 26 H GLY 26 2.279 -0.964 -5.495 183 HA2 GLY 26 HA2 GLY 26 0.966 -2.031 -3.180 184 HA3 GLY 26 HA3 GLY 26 1.471 -0.363 -2.961 185 H LYS 27 H LYS 27 -1.136 -2.067 -3.576 186 HA LYS 27 HA LYS 27 -2.163 -0.268 -5.674 187 HB2 LYS 27 HB2 LYS 27 -3.086 -3.042 -4.904 188 HB3 LYS 27 HB3 LYS 27 -3.870 -2.021 -6.101 189 HG2 LYS 27 HG2 LYS 27 -1.824 -2.038 -7.442 190 HG3 LYS 27 HG3 LYS 27 -1.066 -3.098 -6.251 191 HD2 LYS 27 HD2 LYS 27 -2.738 -4.809 -6.678 192 HD3 LYS 27 HD3 LYS 27 -3.562 -3.743 -7.819 193 HE2 LYS 27 HE2 LYS 27 -1.528 -3.693 -9.196 194 HE3 LYS 27 HE3 LYS 27 -0.765 -4.821 -8.080 195 HZ1 LYS 27 HZ1 LYS 27 -2.475 -6.410 -8.642 196 HZ2 LYS 27 HZ2 LYS 27 -1.663 -5.952 -9.973 197 HZ3 LYS 27 HZ3 LYS 27 -3.153 -5.365 -9.692 198 H CYS 28 H CYS 28 -4.497 0.184 -5.535 199 HA CYS 28 HA CYS 28 -5.260 0.719 -2.752 200 HB2 CYS 28 HB2 CYS 28 -5.104 2.677 -4.242 201 HB3 CYS 28 HB3 CYS 28 -6.289 1.949 -5.320 202 H ILE 29 H ILE 29 -6.217 -1.175 -2.164 203 HA ILE 29 HA ILE 29 -8.417 -2.178 -3.838 204 HB ILE 29 HB ILE 29 -6.973 -3.517 -1.546 205 HG12 ILE 29 HG12 ILE 29 -6.828 -4.027 -4.533 206 HG13 ILE 29 HG13 ILE 29 -5.561 -3.322 -3.536 207 HG21 ILE 29 HG21 ILE 29 -8.199 -5.530 -2.216 208 HG22 ILE 29 HG22 ILE 29 -9.097 -4.578 -3.398 209 HG23 ILE 29 HG23 ILE 29 -9.274 -4.240 -1.676 210 HD11 ILE 29 HD11 ILE 29 -5.145 -5.672 -4.041 211 HD12 ILE 29 HD12 ILE 29 -6.653 -6.106 -3.236 212 HD13 ILE 29 HD13 ILE 29 -5.333 -5.390 -2.310 213 H ASN 30 H ASN 30 -10.258 -1.174 -3.271 214 HA ASN 30 HA ASN 30 -12.025 -0.455 -2.042 215 HB2 ASN 30 HB2 ASN 30 -10.962 -2.635 -0.343 216 HB3 ASN 30 HB3 ASN 30 -12.231 -1.615 0.304 217 HD21 ASN 30 HD21 ASN 30 -11.930 -2.472 -3.082 218 HD22 ASN 30 HD22 ASN 30 -13.341 -3.456 -3.143 219 H GLY 31 H GLY 31 -9.688 1.120 -1.925 220 HA2 GLY 31 HA2 GLY 31 -9.004 3.021 -0.809 221 HA3 GLY 31 HA3 GLY 31 -10.282 2.731 0.363 222 H ARG 32 H ARG 32 -7.957 0.275 -0.356 223 HA ARG 32 HA ARG 32 -6.565 0.789 2.189 224 HB2 ARG 32 HB2 ARG 32 -7.175 -1.949 1.050 225 HB3 ARG 32 HB3 ARG 32 -6.497 -1.582 2.629 226 HG2 ARG 32 HG2 ARG 32 -9.239 -0.668 1.834 227 HG3 ARG 32 HG3 ARG 32 -8.945 -2.265 2.521 228 HD2 ARG 32 HD2 ARG 32 -8.017 0.255 3.866 229 HD3 ARG 32 HD3 ARG 32 -9.628 -0.414 4.126 230 HE ARG 32 HE ARG 32 -7.366 -2.197 4.554 231 HH11 ARG 32 HH11 ARG 32 -9.762 -0.075 5.944 232 HH12 ARG 32 HH12 ARG 32 -9.719 -0.829 7.504 233 HH21 ARG 32 HH21 ARG 32 -7.300 -3.206 6.607 234 HH22 ARG 32 HH22 ARG 32 -8.311 -2.612 7.884 235 H CYS 33 H CYS 33 -4.375 -0.071 2.238 236 HA CYS 33 HA CYS 33 -3.163 0.039 -0.431 237 HB2 CYS 33 HB2 CYS 33 -2.111 0.816 2.281 238 HB3 CYS 33 HB3 CYS 33 -1.049 0.602 0.895 239 H VAL 34 H VAL 34 -2.751 -1.907 -1.183 240 HA VAL 34 HA VAL 34 -1.762 -3.966 0.647 241 HB VAL 34 HB VAL 34 -3.596 -4.678 -0.770 242 HG11 VAL 34 HG11 VAL 34 -3.304 -4.844 -3.220 243 HG12 VAL 34 HG12 VAL 34 -1.829 -3.887 -3.065 244 HG13 VAL 34 HG13 VAL 34 -3.386 -3.188 -2.621 245 HG21 VAL 34 HG21 VAL 34 -1.905 -6.332 -0.189 246 HG22 VAL 34 HG22 VAL 34 -0.997 -5.919 -1.644 247 HG23 VAL 34 HG23 VAL 34 -2.594 -6.657 -1.781 248 H CYS 35 H CYS 35 0.323 -4.271 0.822 249 HA CYS 35 HA CYS 35 2.105 -3.168 -1.213 250 HB2 CYS 35 HB2 CYS 35 2.656 -4.196 1.577 251 HB3 CYS 35 HB3 CYS 35 3.864 -3.502 0.499 252 H TYR 36 H TYR 36 3.512 -4.375 -2.399 253 HA TYR 36 HA TYR 36 3.226 -7.303 -2.129 254 HB2 TYR 36 HB2 TYR 36 3.543 -5.554 -4.555 255 HB3 TYR 36 HB3 TYR 36 3.944 -7.267 -4.609 256 HD1 TYR 36 HD1 TYR 36 1.149 -4.929 -3.788 257 HD2 TYR 36 HD2 TYR 36 2.291 -8.837 -5.028 258 HE1 TYR 36 HE1 TYR 36 -1.206 -5.480 -4.217 259 HE2 TYR 36 HE2 TYR 36 -0.057 -9.392 -5.463 260 HH TYR 36 HH TYR 36 -2.278 -8.658 -4.746 261 HA PRO 37 HA PRO 37 7.654 -6.774 -1.360 262 HB2 PRO 37 HB2 PRO 37 7.895 -8.875 0.323 263 HB3 PRO 37 HB3 PRO 37 7.302 -7.295 0.840 264 HG2 PRO 37 HG2 PRO 37 5.817 -9.809 0.372 265 HG3 PRO 37 HG3 PRO 37 5.448 -8.464 1.460 266 HD2 PRO 37 HD2 PRO 37 4.283 -8.972 -1.059 267 HD3 PRO 37 HD3 PRO 37 4.099 -7.508 -0.077 Start of MODEL 10 1 H PCA 1 H PCA 1 0.778 -11.315 0.627 2 HA PCA 1 HA PCA 1 1.899 -9.094 -0.425 3 HB2 PCA 1 HB2 PCA 1 0.485 -8.385 -2.035 4 HB3 PCA 1 HB3 PCA 1 -0.906 -8.641 -0.974 5 HG2 PCA 1 HG2 PCA 1 0.127 -10.374 -3.095 6 HG3 PCA 1 HG3 PCA 1 -1.403 -10.512 -2.184 7 HT2 PCA 1 HT2 PCA 1 2.022 -11.201 -0.359 8 H ILE 2 H ILE 2 0.903 -7.168 0.710 9 HA ILE 2 HA ILE 2 -0.388 -8.058 3.208 10 HB ILE 2 HB ILE 2 1.696 -5.883 2.971 11 HG12 ILE 2 HG12 ILE 2 2.682 -8.120 2.684 12 HG13 ILE 2 HG13 ILE 2 3.171 -7.401 4.214 13 HG21 ILE 2 HG21 ILE 2 0.063 -5.456 4.726 14 HG22 ILE 2 HG22 ILE 2 1.631 -5.866 5.420 15 HG23 ILE 2 HG23 ILE 2 0.339 -7.066 5.393 16 HD11 ILE 2 HD11 ILE 2 1.026 -9.480 3.855 17 HD12 ILE 2 HD12 ILE 2 1.535 -8.770 5.388 18 HD13 ILE 2 HD13 ILE 2 2.658 -9.762 4.457 19 H GLU 3 H GLU 3 -2.445 -7.399 2.822 20 HA GLU 3 HA GLU 3 -3.112 -4.781 1.870 21 HB2 GLU 3 HB2 GLU 3 -4.793 -6.805 3.366 22 HB3 GLU 3 HB3 GLU 3 -5.408 -5.371 2.560 23 HG2 GLU 3 HG2 GLU 3 -4.777 -6.244 0.414 24 HG3 GLU 3 HG3 GLU 3 -3.992 -7.631 1.164 25 H THR 4 H THR 4 -2.288 -3.162 3.120 26 HA THR 4 HA THR 4 -2.477 -3.338 6.023 27 HB THR 4 HB THR 4 -1.179 -1.244 6.041 28 HG1 THR 4 HG1 THR 4 -1.284 -1.472 3.196 29 HG21 THR 4 HG21 THR 4 0.045 -3.343 5.950 30 HG22 THR 4 HG22 THR 4 0.888 -2.106 5.016 31 HG23 THR 4 HG23 THR 4 -0.055 -3.346 4.190 32 H ASN 5 H ASN 5 -3.458 -1.658 7.292 33 HA ASN 5 HA ASN 5 -5.946 -0.758 6.152 34 HB2 ASN 5 HB2 ASN 5 -4.774 -0.628 8.916 35 HB3 ASN 5 HB3 ASN 5 -6.256 0.229 8.507 36 HD21 ASN 5 HD21 ASN 5 -5.870 -1.931 10.376 37 HD22 ASN 5 HD22 ASN 5 -6.896 -3.221 9.861 38 H LYS 6 H LYS 6 -3.524 0.416 5.106 39 HA LYS 6 HA LYS 6 -3.681 3.195 5.973 40 HB2 LYS 6 HB2 LYS 6 -1.860 1.745 4.046 41 HB3 LYS 6 HB3 LYS 6 -1.808 3.483 4.303 42 HG2 LYS 6 HG2 LYS 6 -1.218 3.176 6.608 43 HG3 LYS 6 HG3 LYS 6 -1.408 1.430 6.462 44 HD2 LYS 6 HD2 LYS 6 0.474 1.270 5.012 45 HD3 LYS 6 HD3 LYS 6 0.564 3.025 4.840 46 HE2 LYS 6 HE2 LYS 6 2.276 2.140 6.375 47 HE3 LYS 6 HE3 LYS 6 1.167 3.261 7.162 48 HZ1 LYS 6 HZ1 LYS 6 1.018 0.336 7.341 49 HZ2 LYS 6 HZ2 LYS 6 0.013 1.377 8.079 50 HZ3 LYS 6 HZ3 LYS 6 1.579 1.324 8.506 51 H LYS 7 H LYS 7 -4.554 4.792 4.748 52 HA LYS 7 HA LYS 7 -6.319 4.058 2.627 53 HB2 LYS 7 HB2 LYS 7 -6.947 6.371 2.526 54 HB3 LYS 7 HB3 LYS 7 -6.793 5.925 4.214 55 HG2 LYS 7 HG2 LYS 7 -4.576 7.286 2.724 56 HG3 LYS 7 HG3 LYS 7 -5.880 8.188 3.489 57 HD2 LYS 7 HD2 LYS 7 -5.293 7.064 5.640 58 HD3 LYS 7 HD3 LYS 7 -3.898 6.353 4.827 59 HE2 LYS 7 HE2 LYS 7 -4.443 9.306 5.086 60 HE3 LYS 7 HE3 LYS 7 -3.327 8.388 6.095 61 HZ1 LYS 7 HZ1 LYS 7 -3.081 8.686 3.185 62 HZ2 LYS 7 HZ2 LYS 7 -2.021 7.936 4.161 63 HZ3 LYS 7 HZ3 LYS 7 -2.232 9.542 4.277 64 H CYS 8 H CYS 8 -6.207 4.634 0.468 65 HA CYS 8 HA CYS 8 -3.703 4.255 -0.734 66 HB2 CYS 8 HB2 CYS 8 -6.088 5.473 -2.119 67 HB3 CYS 8 HB3 CYS 8 -4.821 4.467 -2.814 68 H GLN 9 H GLN 9 -2.484 5.656 -2.090 69 HA GLN 9 HA GLN 9 -2.539 8.427 -1.142 70 HB2 GLN 9 HB2 GLN 9 -0.449 7.030 -0.965 71 HB3 GLN 9 HB3 GLN 9 -0.385 7.016 -2.720 72 HG2 GLN 9 HG2 GLN 9 -0.144 9.426 -2.756 73 HG3 GLN 9 HG3 GLN 9 -0.277 9.480 -0.998 74 HE21 GLN 9 HE21 GLN 9 1.416 8.705 0.258 75 HE22 GLN 9 HE22 GLN 9 3.005 8.475 -0.387 76 H GLY 10 H GLY 10 -4.410 8.850 -2.480 77 HA2 GLY 10 HA2 GLY 10 -5.172 10.071 -4.308 78 HA3 GLY 10 HA3 GLY 10 -3.639 9.778 -5.117 79 H GLY 11 H GLY 11 -3.291 7.457 -5.792 80 HA2 GLY 11 HA2 GLY 11 -5.826 6.188 -6.600 81 HA3 GLY 11 HA3 GLY 11 -4.603 6.547 -7.808 82 H SER 12 H SER 12 -2.471 5.862 -5.776 83 HA SER 12 HA SER 12 -2.855 2.978 -5.528 84 HB2 SER 12 HB2 SER 12 -0.455 4.254 -6.852 85 HB3 SER 12 HB3 SER 12 -0.657 2.532 -6.522 86 HG SER 12 HG SER 12 -2.802 3.249 -7.830 87 H CYS 13 H CYS 13 -0.603 2.140 -4.498 88 HA CYS 13 HA CYS 13 0.075 3.989 -2.313 89 HB2 CYS 13 HB2 CYS 13 -0.664 1.067 -2.065 90 HB3 CYS 13 HB3 CYS 13 -0.011 2.046 -0.756 91 H ALA 14 H ALA 14 1.429 3.125 -4.803 92 HA ALA 14 HA ALA 14 3.466 1.275 -4.315 93 HB1 ALA 14 HB1 ALA 14 3.498 3.651 -6.168 94 HB2 ALA 14 HB2 ALA 14 2.881 2.045 -6.551 95 HB3 ALA 14 HB3 ALA 14 4.601 2.278 -6.234 96 H SER 15 H SER 15 3.492 4.821 -3.989 97 HA SER 15 HA SER 15 6.165 4.934 -3.016 98 HB2 SER 15 HB2 SER 15 3.952 6.976 -2.704 99 HB3 SER 15 HB3 SER 15 5.681 7.270 -2.524 100 HG SER 15 HG SER 15 4.396 7.622 -4.679 101 H VAL 16 H VAL 16 3.022 4.572 -1.530 102 HA VAL 16 HA VAL 16 3.732 5.125 1.138 103 HB VAL 16 HB VAL 16 1.632 3.197 0.119 104 HG11 VAL 16 HG11 VAL 16 2.187 2.803 2.470 105 HG12 VAL 16 HG12 VAL 16 0.568 3.480 2.299 106 HG13 VAL 16 HG13 VAL 16 1.903 4.507 2.825 107 HG21 VAL 16 HG21 VAL 16 1.420 6.105 0.887 108 HG22 VAL 16 HG22 VAL 16 0.067 5.056 0.466 109 HG23 VAL 16 HG23 VAL 16 1.293 5.441 -0.742 110 H CYS 17 H CYS 17 3.490 2.023 -0.591 111 HA CYS 17 HA CYS 17 4.566 0.466 1.501 112 HB2 CYS 17 HB2 CYS 17 4.449 -0.077 -1.472 113 HB3 CYS 17 HB3 CYS 17 4.809 -1.277 -0.235 114 H ARG 18 H ARG 18 6.020 2.282 -1.103 115 HA ARG 18 HA ARG 18 8.624 1.204 -0.949 116 HB2 ARG 18 HB2 ARG 18 7.828 2.584 -2.830 117 HB3 ARG 18 HB3 ARG 18 7.735 3.979 -1.768 118 HG2 ARG 18 HG2 ARG 18 10.143 3.932 -1.458 119 HG3 ARG 18 HG3 ARG 18 10.258 2.493 -2.474 120 HD2 ARG 18 HD2 ARG 18 9.396 3.740 -4.372 121 HD3 ARG 18 HD3 ARG 18 9.197 5.173 -3.365 122 HE ARG 18 HE ARG 18 11.854 4.473 -3.157 123 HH11 ARG 18 HH11 ARG 18 9.669 5.346 -5.749 124 HH12 ARG 18 HH12 ARG 18 10.905 6.103 -6.704 125 HH21 ARG 18 HH21 ARG 18 13.480 5.472 -4.415 126 HH22 ARG 18 HH22 ARG 18 13.068 6.182 -5.946 127 H LYS 19 H LYS 19 6.928 3.644 0.896 128 HA LYS 19 HA LYS 19 9.282 4.453 2.348 129 HB2 LYS 19 HB2 LYS 19 7.467 6.049 1.954 130 HB3 LYS 19 HB3 LYS 19 6.360 5.027 2.859 131 HG2 LYS 19 HG2 LYS 19 7.552 5.426 4.896 132 HG3 LYS 19 HG3 LYS 19 8.832 6.278 4.033 133 HD2 LYS 19 HD2 LYS 19 7.390 7.888 5.092 134 HD3 LYS 19 HD3 LYS 19 7.175 7.982 3.346 135 HE2 LYS 19 HE2 LYS 19 5.149 6.599 3.541 136 HE3 LYS 19 HE3 LYS 19 5.359 6.566 5.292 137 HZ1 LYS 19 HZ1 LYS 19 3.799 8.256 4.582 138 HZ2 LYS 19 HZ2 LYS 19 4.945 8.990 3.696 139 HZ3 LYS 19 HZ3 LYS 19 5.087 8.934 5.313 140 H VAL 20 H VAL 20 6.488 2.369 2.900 141 HA VAL 20 HA VAL 20 7.094 1.838 5.627 142 HB VAL 20 HB VAL 20 5.401 0.215 3.722 143 HG11 VAL 20 HG11 VAL 20 6.125 -1.041 5.711 144 HG12 VAL 20 HG12 VAL 20 4.390 -0.740 5.707 145 HG13 VAL 20 HG13 VAL 20 5.448 0.222 6.738 146 HG21 VAL 20 HG21 VAL 20 4.629 2.363 5.694 147 HG22 VAL 20 HG22 VAL 20 3.509 1.386 4.746 148 HG23 VAL 20 HG23 VAL 20 4.602 2.507 3.937 149 H ILE 21 H ILE 21 7.183 -0.472 2.888 150 HA ILE 21 HA ILE 21 9.134 -2.007 4.445 151 HB ILE 21 HB ILE 21 8.597 -3.899 2.925 152 HG12 ILE 21 HG12 ILE 21 6.399 -2.065 1.942 153 HG13 ILE 21 HG13 ILE 21 7.796 -2.578 1.001 154 HG21 ILE 21 HG21 ILE 21 6.416 -4.377 3.927 155 HG22 ILE 21 HG22 ILE 21 6.269 -2.685 4.403 156 HG23 ILE 21 HG23 ILE 21 7.539 -3.690 5.101 157 HD11 ILE 21 HD11 ILE 21 5.606 -4.351 2.059 158 HD12 ILE 21 HD12 ILE 21 7.029 -4.906 1.180 159 HD13 ILE 21 HD13 ILE 21 5.852 -3.863 0.383 160 H GLY 22 H GLY 22 8.740 -0.379 1.358 161 HA2 GLY 22 HA2 GLY 22 10.990 0.575 0.712 162 HA3 GLY 22 HA3 GLY 22 11.552 -1.086 0.781 163 H VAL 23 H VAL 23 9.214 -2.240 -0.467 164 HA VAL 23 HA VAL 23 10.049 -1.846 -3.178 165 HB VAL 23 HB VAL 23 8.439 -3.545 -3.799 166 HG11 VAL 23 HG11 VAL 23 9.860 -4.259 -1.234 167 HG12 VAL 23 HG12 VAL 23 10.554 -4.297 -2.853 168 HG13 VAL 23 HG13 VAL 23 9.252 -5.406 -2.428 169 HG21 VAL 23 HG21 VAL 23 6.935 -4.569 -2.175 170 HG22 VAL 23 HG22 VAL 23 6.587 -2.851 -2.381 171 HG23 VAL 23 HG23 VAL 23 7.459 -3.409 -0.953 172 H ALA 24 H ALA 24 8.854 -1.051 -4.893 173 HA ALA 24 HA ALA 24 6.891 0.959 -4.100 174 HB1 ALA 24 HB1 ALA 24 7.306 1.963 -6.291 175 HB2 ALA 24 HB2 ALA 24 8.379 0.626 -6.705 176 HB3 ALA 24 HB3 ALA 24 8.812 1.733 -5.402 177 H ALA 25 H ALA 25 6.054 -1.679 -4.064 178 HA ALA 25 HA ALA 25 4.092 -1.651 -6.253 179 HB1 ALA 25 HB1 ALA 25 5.567 -3.601 -6.390 180 HB2 ALA 25 HB2 ALA 25 3.902 -4.060 -6.039 181 HB3 ALA 25 HB3 ALA 25 5.107 -4.060 -4.751 182 H GLY 26 H GLY 26 2.334 -0.805 -5.466 183 HA2 GLY 26 HA2 GLY 26 1.058 -1.943 -3.136 184 HA3 GLY 26 HA3 GLY 26 1.563 -0.268 -2.941 185 H LYS 27 H LYS 27 -1.018 -2.080 -3.606 186 HA LYS 27 HA LYS 27 -2.061 -0.266 -5.678 187 HB2 LYS 27 HB2 LYS 27 -2.863 -3.108 -5.034 188 HB3 LYS 27 HB3 LYS 27 -3.639 -2.091 -6.242 189 HG2 LYS 27 HG2 LYS 27 -1.557 -1.951 -7.485 190 HG3 LYS 27 HG3 LYS 27 -0.754 -2.946 -6.271 191 HD2 LYS 27 HD2 LYS 27 -1.360 -4.291 -8.197 192 HD3 LYS 27 HD3 LYS 27 -2.298 -4.788 -6.789 193 HE2 LYS 27 HE2 LYS 27 -4.227 -3.613 -7.579 194 HE3 LYS 27 HE3 LYS 27 -3.306 -2.879 -8.889 195 HZ1 LYS 27 HZ1 LYS 27 -3.016 -5.076 -9.807 196 HZ2 LYS 27 HZ2 LYS 27 -4.595 -4.725 -9.666 197 HZ3 LYS 27 HZ3 LYS 27 -3.894 -5.736 -8.608 198 H CYS 28 H CYS 28 -4.346 0.200 -5.594 199 HA CYS 28 HA CYS 28 -5.154 0.741 -2.833 200 HB2 CYS 28 HB2 CYS 28 -5.012 2.660 -4.358 201 HB3 CYS 28 HB3 CYS 28 -6.162 1.891 -5.447 202 H ILE 29 H ILE 29 -6.511 -0.666 -1.949 203 HA ILE 29 HA ILE 29 -8.669 -1.757 -3.643 204 HB ILE 29 HB ILE 29 -7.270 -3.150 -1.353 205 HG12 ILE 29 HG12 ILE 29 -7.395 -3.805 -4.307 206 HG13 ILE 29 HG13 ILE 29 -5.994 -3.156 -3.461 207 HG21 ILE 29 HG21 ILE 29 -8.740 -5.046 -1.845 208 HG22 ILE 29 HG22 ILE 29 -9.589 -4.071 -3.045 209 HG23 ILE 29 HG23 ILE 29 -9.656 -3.625 -1.340 210 HD11 ILE 29 HD11 ILE 29 -5.780 -5.543 -3.847 211 HD12 ILE 29 HD12 ILE 29 -7.273 -5.831 -2.952 212 HD13 ILE 29 HD13 ILE 29 -5.858 -5.183 -2.122 213 H ASN 30 H ASN 30 -10.354 -0.520 -3.115 214 HA ASN 30 HA ASN 30 -12.017 0.469 -1.950 215 HB2 ASN 30 HB2 ASN 30 -11.380 -1.767 -0.024 216 HB3 ASN 30 HB3 ASN 30 -12.808 -0.752 0.053 217 HD21 ASN 30 HD21 ASN 30 -12.515 -3.632 -0.331 218 HD22 ASN 30 HD22 ASN 30 -13.354 -3.998 -1.791 219 H GLY 31 H GLY 31 -9.442 1.617 -1.575 220 HA2 GLY 31 HA2 GLY 31 -8.740 3.454 -0.324 221 HA3 GLY 31 HA3 GLY 31 -9.988 3.091 0.860 222 H ARG 32 H ARG 32 -7.907 0.531 -0.117 223 HA ARG 32 HA ARG 32 -6.300 0.861 2.325 224 HB2 ARG 32 HB2 ARG 32 -7.334 -1.721 1.135 225 HB3 ARG 32 HB3 ARG 32 -6.236 -1.608 2.503 226 HG2 ARG 32 HG2 ARG 32 -9.057 -0.560 2.419 227 HG3 ARG 32 HG3 ARG 32 -8.518 -2.035 3.220 228 HD2 ARG 32 HD2 ARG 32 -6.985 -0.617 4.596 229 HD3 ARG 32 HD3 ARG 32 -7.768 0.798 3.900 230 HE ARG 32 HE ARG 32 -9.597 -1.071 5.097 231 HH11 ARG 32 HH11 ARG 32 -7.513 1.673 5.684 232 HH12 ARG 32 HH12 ARG 32 -8.363 2.181 7.106 233 HH21 ARG 32 HH21 ARG 32 -10.736 -0.403 6.960 234 HH22 ARG 32 HH22 ARG 32 -10.203 1.000 7.831 235 H CYS 33 H CYS 33 -4.183 -0.106 2.239 236 HA CYS 33 HA CYS 33 -3.090 0.005 -0.483 237 HB2 CYS 33 HB2 CYS 33 -1.828 0.634 2.189 238 HB3 CYS 33 HB3 CYS 33 -0.928 0.561 0.678 239 H VAL 34 H VAL 34 -2.874 -2.007 -1.241 240 HA VAL 34 HA VAL 34 -1.819 -4.070 0.536 241 HB VAL 34 HB VAL 34 -3.672 -4.819 -0.781 242 HG11 VAL 34 HG11 VAL 34 -2.139 -3.810 -3.139 243 HG12 VAL 34 HG12 VAL 34 -3.736 -3.315 -2.582 244 HG13 VAL 34 HG13 VAL 34 -3.500 -4.922 -3.274 245 HG21 VAL 34 HG21 VAL 34 -1.115 -5.957 -1.882 246 HG22 VAL 34 HG22 VAL 34 -2.698 -6.730 -1.952 247 HG23 VAL 34 HG23 VAL 34 -1.921 -6.453 -0.394 248 H CYS 35 H CYS 35 0.263 -4.163 0.749 249 HA CYS 35 HA CYS 35 2.037 -3.175 -1.322 250 HB2 CYS 35 HB2 CYS 35 2.618 -4.305 1.426 251 HB3 CYS 35 HB3 CYS 35 3.811 -3.579 0.354 252 H TYR 36 H TYR 36 3.423 -4.388 -2.533 253 HA TYR 36 HA TYR 36 3.099 -7.314 -2.299 254 HB2 TYR 36 HB2 TYR 36 3.336 -5.570 -4.742 255 HB3 TYR 36 HB3 TYR 36 3.622 -7.304 -4.797 256 HD1 TYR 36 HD1 TYR 36 1.048 -4.718 -4.117 257 HD2 TYR 36 HD2 TYR 36 1.831 -8.835 -4.839 258 HE1 TYR 36 HE1 TYR 36 -1.350 -5.117 -4.427 259 HE2 TYR 36 HE2 TYR 36 -0.569 -9.240 -5.150 260 HH TYR 36 HH TYR 36 -2.733 -8.146 -4.412 261 HA PRO 37 HA PRO 37 7.595 -6.686 -1.839 262 HB2 PRO 37 HB2 PRO 37 7.946 -8.533 0.094 263 HB3 PRO 37 HB3 PRO 37 7.431 -6.880 0.440 264 HG2 PRO 37 HG2 PRO 37 5.838 -9.388 0.372 265 HG3 PRO 37 HG3 PRO 37 5.654 -7.959 1.400 266 HD2 PRO 37 HD2 PRO 37 4.129 -8.550 -0.851 267 HD3 PRO 37 HD3 PRO 37 4.255 -6.960 -0.077
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