NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
585561 | 2mif | 19677 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 HT1 HIS 1 -5.807 -4.213 -3.339 2 H2 HIS 1 HT2 HIS 1 -4.829 -3.041 -2.614 3 H3 HIS 1 HT3 HIS 1 -5.538 -2.734 -4.112 4 HA HIS 1 HA HIS 1 -7.735 -2.801 -3.128 5 HB2 HIS 1 HB2 HIS 1 -7.039 -4.347 -1.251 6 HB3 HIS 1 HB1 HIS 1 -6.280 -2.964 -0.477 7 HD1 HIS 1 HD1 HIS 1 -7.738 -1.528 0.976 8 HD2 HIS 1 HD2 HIS 1 -9.933 -4.091 -1.468 9 HE1 HIS 1 HE1 HIS 1 -10.123 -1.336 1.745 10 HE2 HIS 1 HE2 HIS 1 -11.449 -2.754 0.149 11 H GLU 2 HN GLU 2 -5.141 -1.406 -1.113 12 HA GLU 2 HA GLU 2 -6.176 1.255 -1.453 13 HB2 GLU 2 HB2 GLU 2 -4.183 -0.154 0.177 14 HB3 GLU 2 HB1 GLU 2 -3.715 1.466 -0.277 15 HG2 GLU 2 HG2 GLU 2 -4.869 1.334 1.904 16 HG3 GLU 2 HG1 GLU 2 -5.676 2.388 0.743 17 H VAL 3 HN VAL 3 -3.897 2.782 -1.773 18 HA VAL 3 HA VAL 3 -2.904 1.852 -4.378 19 HB VAL 3 HB VAL 3 -4.450 3.675 -4.729 20 HG11 VAL 3 HG11 VAL 3 -2.672 5.344 -2.962 21 HG12 VAL 3 HG12 VAL 3 -4.303 4.796 -2.579 22 HG13 VAL 3 HG13 VAL 3 -4.042 5.934 -3.902 23 HG21 VAL 3 HG21 VAL 3 -2.998 5.189 -5.998 24 HG22 VAL 3 HG22 VAL 3 -2.584 3.492 -6.243 25 HG23 VAL 3 HG23 VAL 3 -1.592 4.498 -5.187 26 HA PRO 4 HA PRO 4 0.940 2.590 -2.065 27 HB2 PRO 4 HB2 PRO 4 1.669 0.060 -1.705 28 HB3 PRO 4 HB1 PRO 4 0.363 0.747 -0.744 29 HG2 PRO 4 HG2 PRO 4 0.235 -1.196 -2.968 30 HG3 PRO 4 HG1 PRO 4 -0.880 -0.962 -1.612 31 HD2 PRO 4 HD2 PRO 4 -1.077 0.074 -4.298 32 HD3 PRO 4 HD1 PRO 4 -2.232 0.251 -2.962 33 H SER 5 HN SER 5 2.747 0.227 -2.813 34 HA SER 5 HA SER 5 3.324 1.038 -5.573 35 HB2 SER 5 HB2 SER 5 5.074 -0.623 -3.747 36 HB3 SER 5 HB1 SER 5 5.544 0.210 -5.226 37 HG SER 5 HG SER 5 4.652 2.127 -3.847 38 H GLY 6 HN GLY 6 1.146 -0.717 -4.736 39 HA2 GLY 6 HA2 GLY 6 0.517 -2.531 -6.333 40 HA3 GLY 6 HA1 GLY 6 2.034 -3.288 -5.874 41 HA PRO 7 HA PRO 7 0.174 -5.650 -2.730 42 HB2 PRO 7 HB2 PRO 7 1.851 -5.281 -0.579 43 HB3 PRO 7 HB1 PRO 7 2.187 -6.352 -1.944 44 HG2 PRO 7 HG2 PRO 7 3.121 -3.540 -1.468 45 HG3 PRO 7 HG1 PRO 7 4.044 -4.942 -2.053 46 HD2 PRO 7 HD2 PRO 7 3.166 -3.076 -3.739 47 HD3 PRO 7 HD1 PRO 7 3.127 -4.795 -4.189 48 H ASN 8 HN ASN 8 1.489 -3.193 -0.538 49 HA ASN 8 HA ASN 8 -1.175 -2.312 0.219 50 HB2 ASN 8 HB2 ASN 8 -0.722 -2.904 2.645 51 HB3 ASN 8 HB1 ASN 8 -1.062 -4.267 1.585 52 HD21 ASN 8 HD21 ASN 8 0.519 -5.752 1.167 53 HD22 ASN 8 HD22 ASN 8 2.036 -5.787 1.999 54 HA PRO 9 HA PRO 9 0.930 1.419 0.892 55 HB2 PRO 9 HB2 PRO 9 -0.662 2.681 2.678 56 HB3 PRO 9 HB1 PRO 9 -1.127 2.403 0.997 57 HG2 PRO 9 HG2 PRO 9 -1.940 0.928 3.460 58 HG3 PRO 9 HG1 PRO 9 -2.899 1.350 2.028 59 HD2 PRO 9 HD2 PRO 9 -1.830 -1.134 2.486 60 HD3 PRO 9 HD1 PRO 9 -2.210 -0.495 0.877 61 H SER 10 HN SER 10 2.252 -0.517 2.358 62 HA SER 10 HA SER 10 2.871 0.815 4.890 63 HB2 SER 10 HB2 SER 10 4.052 -1.715 3.707 64 HB3 SER 10 HB1 SER 10 4.281 -1.122 5.351 65 HG SER 10 HG SER 10 2.156 -2.477 4.232 66 H SER 11 HN SER 11 3.732 0.798 1.656 67 HA SER 11 HA SER 11 6.438 1.819 2.144 68 HB2 SER 11 HB2 SER 11 6.629 1.642 -0.354 69 HB3 SER 11 HB1 SER 11 6.297 0.103 0.441 70 HG SER 11 HG SER 11 4.537 1.752 -1.040 71 H ASN 12 HN ASN 12 3.459 3.002 2.162 72 HA ASN 12 HA ASN 12 4.240 5.586 1.050 73 HB2 ASN 12 HB2 ASN 12 1.690 4.101 0.372 74 HB3 ASN 12 HB1 ASN 12 1.957 5.807 0.026 75 HD21 ASN 12 HD21 ASN 12 3.364 6.396 -1.594 76 HD22 ASN 12 HD22 ASN 12 3.942 5.271 -2.775 Start of MODEL 2 1 H1 HIS 1 HT1 HIS 1 -6.241 4.475 -3.684 2 H2 HIS 1 HT2 HIS 1 -7.917 4.340 -3.841 3 H3 HIS 1 HT3 HIS 1 -7.020 3.057 -3.185 4 HA HIS 1 HA HIS 1 -7.372 5.748 -1.982 5 HB2 HIS 1 HB2 HIS 1 -8.486 3.030 -1.249 6 HB3 HIS 1 HB1 HIS 1 -8.521 4.416 -0.167 7 HD1 HIS 1 HD1 HIS 1 -10.294 2.881 -3.014 8 HD2 HIS 1 HD2 HIS 1 -10.232 6.546 -1.045 9 HE1 HIS 1 HE1 HIS 1 -12.372 4.088 -3.756 10 HE2 HIS 1 HE2 HIS 1 -12.356 6.265 -2.490 11 H GLU 2 HN GLU 2 -5.949 2.570 -1.892 12 HA GLU 2 HA GLU 2 -4.362 3.041 0.436 13 HB2 GLU 2 HB2 GLU 2 -3.185 0.923 -0.410 14 HB3 GLU 2 HB1 GLU 2 -4.870 0.779 0.054 15 HG2 GLU 2 HG2 GLU 2 -4.094 1.246 -2.799 16 HG3 GLU 2 HG1 GLU 2 -4.050 -0.369 -2.100 17 H VAL 3 HN VAL 3 -4.061 3.637 -2.945 18 HA VAL 3 HA VAL 3 -2.303 4.194 -4.313 19 HB VAL 3 HB VAL 3 -3.201 6.295 -3.494 20 HG11 VAL 3 HG11 VAL 3 -2.825 6.043 -1.113 21 HG12 VAL 3 HG12 VAL 3 -2.147 7.562 -1.700 22 HG13 VAL 3 HG13 VAL 3 -1.085 6.197 -1.357 23 HG21 VAL 3 HG21 VAL 3 -1.393 6.368 -5.104 24 HG22 VAL 3 HG22 VAL 3 -0.207 6.379 -3.799 25 HG23 VAL 3 HG23 VAL 3 -1.306 7.742 -4.006 26 HA PRO 4 HA PRO 4 1.145 2.404 -1.837 27 HB2 PRO 4 HB2 PRO 4 0.697 -0.163 -2.072 28 HB3 PRO 4 HB1 PRO 4 -0.499 0.819 -1.206 29 HG2 PRO 4 HG2 PRO 4 -0.635 -0.310 -3.962 30 HG3 PRO 4 HG1 PRO 4 -1.924 -0.108 -2.762 31 HD2 PRO 4 HD2 PRO 4 -1.214 1.685 -4.886 32 HD3 PRO 4 HD1 PRO 4 -2.450 1.924 -3.633 33 H SER 5 HN SER 5 2.559 0.210 -2.652 34 HA SER 5 HA SER 5 3.533 0.855 -5.312 35 HB2 SER 5 HB2 SER 5 5.128 0.268 -3.502 36 HB3 SER 5 HB1 SER 5 4.381 -1.323 -3.373 37 HG SER 5 HG SER 5 6.047 -0.277 -5.359 38 H GLY 6 HN GLY 6 1.210 -1.068 -3.853 39 HA2 GLY 6 HA2 GLY 6 -0.226 -2.226 -5.635 40 HA3 GLY 6 HA1 GLY 6 1.255 -3.125 -5.948 41 HA PRO 7 HA PRO 7 0.632 -6.008 -2.639 42 HB2 PRO 7 HB2 PRO 7 2.658 -5.501 -0.830 43 HB3 PRO 7 HB1 PRO 7 2.839 -6.460 -2.301 44 HG2 PRO 7 HG2 PRO 7 3.492 -3.567 -1.835 45 HG3 PRO 7 HG1 PRO 7 4.438 -4.807 -2.689 46 HD2 PRO 7 HD2 PRO 7 3.016 -3.027 -4.050 47 HD3 PRO 7 HD1 PRO 7 3.056 -4.727 -4.570 48 H ASN 8 HN ASN 8 1.716 -2.979 -1.061 49 HA ASN 8 HA ASN 8 -0.585 -3.078 0.729 50 HB2 ASN 8 HB2 ASN 8 1.185 -4.509 1.752 51 HB3 ASN 8 HB1 ASN 8 2.271 -3.126 1.742 52 HD21 ASN 8 HD21 ASN 8 2.548 -2.981 3.902 53 HD22 ASN 8 HD22 ASN 8 1.292 -2.568 5.016 54 HA PRO 9 HA PRO 9 -0.068 1.406 0.374 55 HB2 PRO 9 HB2 PRO 9 -1.598 1.963 2.612 56 HB3 PRO 9 HB1 PRO 9 -2.208 1.803 0.963 57 HG2 PRO 9 HG2 PRO 9 -2.244 -0.162 3.197 58 HG3 PRO 9 HG1 PRO 9 -3.441 0.115 1.917 59 HD2 PRO 9 HD2 PRO 9 -1.738 -1.981 1.888 60 HD3 PRO 9 HD1 PRO 9 -2.312 -1.197 0.403 61 H SER 10 HN SER 10 0.646 3.149 1.776 62 HA SER 10 HA SER 10 2.449 4.011 2.817 63 HB2 SER 10 HB2 SER 10 2.687 3.396 5.234 64 HB3 SER 10 HB1 SER 10 1.050 3.839 4.766 65 HG SER 10 HG SER 10 1.382 1.196 4.449 66 H SER 11 HN SER 11 2.858 1.634 1.143 67 HA SER 11 HA SER 11 5.534 0.961 2.128 68 HB2 SER 11 HB2 SER 11 3.643 -1.081 0.934 69 HB3 SER 11 HB1 SER 11 5.263 -1.380 1.563 70 HG SER 11 HG SER 11 3.110 -0.375 3.121 71 H ASN 12 HN ASN 12 5.707 2.793 0.508 72 HA ASN 12 HA ASN 12 6.507 1.663 -2.015 73 HB2 ASN 12 HB2 ASN 12 5.250 3.417 -3.336 74 HB3 ASN 12 HB1 ASN 12 4.260 2.135 -2.654 75 HD21 ASN 12 HD21 ASN 12 4.981 5.504 -2.651 76 HD22 ASN 12 HD22 ASN 12 3.691 5.994 -1.609 Start of MODEL 3 1 H1 HIS 1 HT1 HIS 1 -7.549 -2.574 -2.698 2 H2 HIS 1 HT2 HIS 1 -6.138 -1.785 -2.200 3 H3 HIS 1 HT3 HIS 1 -6.980 -1.231 -3.555 4 HA HIS 1 HA HIS 1 -8.850 -0.598 -2.216 5 HB2 HIS 1 HB2 HIS 1 -7.135 -1.606 0.067 6 HB3 HIS 1 HB1 HIS 1 -8.574 -0.621 0.282 7 HD1 HIS 1 HD1 HIS 1 -10.868 -1.757 -0.524 8 HD2 HIS 1 HD2 HIS 1 -7.593 -4.296 -0.169 9 HE1 HIS 1 HE1 HIS 1 -11.819 -4.086 -0.450 10 HE2 HIS 1 HE2 HIS 1 -9.819 -5.609 -0.294 11 H GLU 2 HN GLU 2 -5.685 -0.250 -0.636 12 HA GLU 2 HA GLU 2 -5.774 2.623 -0.964 13 HB2 GLU 2 HB2 GLU 2 -4.049 0.657 0.449 14 HB3 GLU 2 HB1 GLU 2 -3.298 2.173 -0.013 15 HG2 GLU 2 HG2 GLU 2 -5.763 1.835 1.685 16 HG3 GLU 2 HG1 GLU 2 -4.159 2.286 2.250 17 H VAL 3 HN VAL 3 -3.805 3.713 -1.938 18 HA VAL 3 HA VAL 3 -3.049 2.301 -4.410 19 HB VAL 3 HB VAL 3 -2.918 5.276 -3.879 20 HG11 VAL 3 HG11 VAL 3 -1.389 4.494 -5.614 21 HG12 VAL 3 HG12 VAL 3 -2.692 5.459 -6.306 22 HG13 VAL 3 HG13 VAL 3 -2.728 3.703 -6.447 23 HG21 VAL 3 HG21 VAL 3 -5.040 3.706 -5.338 24 HG22 VAL 3 HG22 VAL 3 -4.928 5.464 -5.268 25 HG23 VAL 3 HG23 VAL 3 -5.234 4.542 -3.797 26 HA PRO 4 HA PRO 4 0.867 2.617 -2.086 27 HB2 PRO 4 HB2 PRO 4 1.270 0.023 -1.705 28 HB3 PRO 4 HB1 PRO 4 -0.019 0.862 -0.836 29 HG2 PRO 4 HG2 PRO 4 -0.208 -1.078 -3.052 30 HG3 PRO 4 HG1 PRO 4 -1.404 -0.655 -1.817 31 HD2 PRO 4 HD2 PRO 4 -1.154 0.357 -4.526 32 HD3 PRO 4 HD1 PRO 4 -2.448 0.650 -3.345 33 H SER 5 HN SER 5 2.621 0.318 -2.552 34 HA SER 5 HA SER 5 3.694 1.000 -5.143 35 HB2 SER 5 HB2 SER 5 5.370 -0.840 -4.418 36 HB3 SER 5 HB1 SER 5 5.340 0.659 -3.488 37 HG SER 5 HG SER 5 5.171 -1.643 -2.444 38 H GLY 6 HN GLY 6 1.277 -0.909 -4.098 39 HA2 GLY 6 HA2 GLY 6 0.284 -2.213 -6.073 40 HA3 GLY 6 HA1 GLY 6 1.782 -3.131 -5.950 41 HA PRO 7 HA PRO 7 0.262 -5.765 -2.731 42 HB2 PRO 7 HB2 PRO 7 2.025 -5.342 -0.649 43 HB3 PRO 7 HB1 PRO 7 2.344 -6.387 -2.036 44 HG2 PRO 7 HG2 PRO 7 3.172 -3.533 -1.584 45 HG3 PRO 7 HG1 PRO 7 4.130 -4.893 -2.215 46 HD2 PRO 7 HD2 PRO 7 3.113 -3.086 -3.868 47 HD3 PRO 7 HD1 PRO 7 3.084 -4.811 -4.300 48 H ASN 8 HN ASN 8 1.594 -3.207 -0.669 49 HA ASN 8 HA ASN 8 -1.065 -2.559 0.354 50 HB2 ASN 8 HB2 ASN 8 1.193 -3.694 2.025 51 HB3 ASN 8 HB1 ASN 8 -0.196 -2.862 2.711 52 HD21 ASN 8 HD21 ASN 8 -2.185 -3.869 2.720 53 HD22 ASN 8 HD22 ASN 8 -2.375 -5.552 2.384 54 HA PRO 9 HA PRO 9 0.714 1.533 0.753 55 HB2 PRO 9 HB2 PRO 9 -0.701 2.430 2.903 56 HB3 PRO 9 HB1 PRO 9 -1.385 2.301 1.274 57 HG2 PRO 9 HG2 PRO 9 -1.553 0.333 3.543 58 HG3 PRO 9 HG1 PRO 9 -2.867 0.979 2.538 59 HD2 PRO 9 HD2 PRO 9 -1.870 -1.397 1.980 60 HD3 PRO 9 HD1 PRO 9 -2.198 -0.240 0.661 61 H SER 10 HN SER 10 2.519 -0.177 1.624 62 HA SER 10 HA SER 10 3.421 1.053 4.139 63 HB2 SER 10 HB2 SER 10 4.073 -1.747 3.181 64 HB3 SER 10 HB1 SER 10 4.559 -1.014 4.709 65 HG SER 10 HG SER 10 2.279 -0.854 5.199 66 H SER 11 HN SER 11 3.714 1.320 1.052 67 HA SER 11 HA SER 11 5.271 1.774 -0.518 68 HB2 SER 11 HB2 SER 11 7.231 3.182 0.354 69 HB3 SER 11 HB1 SER 11 5.603 3.799 0.612 70 HG SER 11 HG SER 11 6.565 2.195 2.645 71 H ASN 12 HN ASN 12 5.467 -0.777 -0.167 72 HA ASN 12 HA ASN 12 8.340 -1.321 0.099 73 HB2 ASN 12 HB2 ASN 12 7.724 -3.678 0.578 74 HB3 ASN 12 HB1 ASN 12 7.125 -2.552 1.784 75 HD21 ASN 12 HD21 ASN 12 6.267 -5.254 1.026 76 HD22 ASN 12 HD22 ASN 12 4.586 -5.127 0.651 Start of MODEL 4 1 H1 HIS 1 HT1 HIS 1 -6.440 0.590 -1.036 2 H2 HIS 1 HT2 HIS 1 -6.744 1.061 -2.629 3 H3 HIS 1 HT3 HIS 1 -7.914 0.199 -1.765 4 HA HIS 1 HA HIS 1 -8.504 2.520 -1.914 5 HB2 HIS 1 HB2 HIS 1 -9.190 1.257 0.074 6 HB3 HIS 1 HB1 HIS 1 -7.666 1.645 0.863 7 HD1 HIS 1 HD1 HIS 1 -7.709 3.636 2.343 8 HD2 HIS 1 HD2 HIS 1 -10.797 3.702 -0.445 9 HE1 HIS 1 HE1 HIS 1 -9.116 5.628 2.938 10 HE2 HIS 1 HE2 HIS 1 -11.063 5.556 1.344 11 H GLU 2 HN GLU 2 -5.265 1.931 -0.710 12 HA GLU 2 HA GLU 2 -4.830 4.808 -0.394 13 HB2 GLU 2 HB2 GLU 2 -4.182 3.115 1.387 14 HB3 GLU 2 HB1 GLU 2 -2.908 2.582 0.295 15 HG2 GLU 2 HG2 GLU 2 -2.078 4.154 1.966 16 HG3 GLU 2 HG1 GLU 2 -1.924 4.802 0.334 17 H VAL 3 HN VAL 3 -4.272 2.302 -2.607 18 HA VAL 3 HA VAL 3 -2.972 1.986 -4.426 19 HB VAL 3 HB VAL 3 -3.054 4.990 -4.457 20 HG11 VAL 3 HG11 VAL 3 -2.547 3.045 -6.711 21 HG12 VAL 3 HG12 VAL 3 -1.345 4.105 -5.976 22 HG13 VAL 3 HG13 VAL 3 -2.694 4.795 -6.878 23 HG21 VAL 3 HG21 VAL 3 -4.896 2.983 -5.731 24 HG22 VAL 3 HG22 VAL 3 -4.980 4.732 -5.942 25 HG23 VAL 3 HG23 VAL 3 -5.275 4.019 -4.356 26 HA PRO 4 HA PRO 4 1.045 2.826 -2.331 27 HB2 PRO 4 HB2 PRO 4 1.664 0.342 -1.636 28 HB3 PRO 4 HB1 PRO 4 0.417 1.221 -0.736 29 HG2 PRO 4 HG2 PRO 4 0.103 -0.863 -2.865 30 HG3 PRO 4 HG1 PRO 4 -0.780 -0.679 -1.339 31 HD2 PRO 4 HD2 PRO 4 -1.671 0.198 -3.817 32 HD3 PRO 4 HD1 PRO 4 -2.253 0.795 -2.251 33 H SER 5 HN SER 5 2.853 0.500 -2.780 34 HA SER 5 HA SER 5 3.627 1.050 -5.486 35 HB2 SER 5 HB2 SER 5 5.351 -0.746 -5.000 36 HB3 SER 5 HB1 SER 5 5.374 0.631 -3.897 37 HG SER 5 HG SER 5 4.791 -0.627 -2.308 38 H GLY 6 HN GLY 6 1.459 -1.029 -4.000 39 HA2 GLY 6 HA2 GLY 6 0.173 -2.216 -5.964 40 HA3 GLY 6 HA1 GLY 6 1.661 -3.154 -5.983 41 HA PRO 7 HA PRO 7 0.555 -5.809 -2.630 42 HB2 PRO 7 HB2 PRO 7 2.211 -5.045 -0.525 43 HB3 PRO 7 HB1 PRO 7 2.635 -6.180 -1.808 44 HG2 PRO 7 HG2 PRO 7 3.255 -3.259 -1.575 45 HG3 PRO 7 HG1 PRO 7 4.286 -4.586 -2.156 46 HD2 PRO 7 HD2 PRO 7 3.120 -2.931 -3.875 47 HD3 PRO 7 HD1 PRO 7 3.206 -4.673 -4.221 48 H ASN 8 HN ASN 8 1.452 -2.961 -0.699 49 HA ASN 8 HA ASN 8 -1.213 -2.395 0.185 50 HB2 ASN 8 HB2 ASN 8 -0.760 -4.519 1.410 51 HB3 ASN 8 HB1 ASN 8 0.682 -3.793 2.107 52 HD21 ASN 8 HD21 ASN 8 0.484 -2.403 3.827 53 HD22 ASN 8 HD22 ASN 8 -1.017 -2.111 4.635 54 HA PRO 9 HA PRO 9 0.909 1.443 1.118 55 HB2 PRO 9 HB2 PRO 9 -0.657 2.373 3.160 56 HB3 PRO 9 HB1 PRO 9 -1.083 2.473 1.446 57 HG2 PRO 9 HG2 PRO 9 -1.910 0.418 3.473 58 HG3 PRO 9 HG1 PRO 9 -2.919 1.296 2.304 59 HD2 PRO 9 HD2 PRO 9 -2.144 -1.186 1.780 60 HD3 PRO 9 HD1 PRO 9 -2.119 0.053 0.497 61 H SER 10 HN SER 10 2.249 -0.677 2.208 62 HA SER 10 HA SER 10 3.123 0.481 4.770 63 HB2 SER 10 HB2 SER 10 3.571 -2.342 3.763 64 HB3 SER 10 HB1 SER 10 4.034 -1.709 5.342 65 HG SER 10 HG SER 10 1.804 -1.391 5.776 66 H SER 11 HN SER 11 3.722 0.024 1.517 67 HA SER 11 HA SER 11 6.328 1.220 1.665 68 HB2 SER 11 HB2 SER 11 6.047 -1.560 0.475 69 HB3 SER 11 HB1 SER 11 7.485 -0.544 0.376 70 HG SER 11 HG SER 11 6.847 -0.660 2.921 71 H ASN 12 HN ASN 12 6.435 2.620 0.016 72 HA ASN 12 HA ASN 12 4.809 2.078 -2.375 73 HB2 ASN 12 HB2 ASN 12 3.649 3.729 -0.986 74 HB3 ASN 12 HB1 ASN 12 5.092 4.735 -0.953 75 HD21 ASN 12 HD21 ASN 12 5.628 5.946 -2.738 76 HD22 ASN 12 HD22 ASN 12 4.548 6.182 -4.069 Start of MODEL 5 1 H1 HIS 1 HT1 HIS 1 -6.200 -2.482 -3.833 2 H2 HIS 1 HT2 HIS 1 -5.551 -1.047 -4.448 3 H3 HIS 1 HT3 HIS 1 -7.020 -1.018 -3.620 4 HA HIS 1 HA HIS 1 -5.948 -1.654 -1.584 5 HB2 HIS 1 HB2 HIS 1 -3.455 -1.608 -3.301 6 HB3 HIS 1 HB1 HIS 1 -3.419 -1.598 -1.544 7 HD1 HIS 1 HD1 HIS 1 -2.846 -3.872 -4.087 8 HD2 HIS 1 HD2 HIS 1 -5.254 -4.005 -0.697 9 HE1 HIS 1 HE1 HIS 1 -3.250 -6.311 -3.635 10 HE2 HIS 1 HE2 HIS 1 -4.819 -6.361 -1.667 11 H GLU 2 HN GLU 2 -4.310 -0.062 -0.388 12 HA GLU 2 HA GLU 2 -5.486 2.511 -0.846 13 HB2 GLU 2 HB2 GLU 2 -5.007 1.471 1.418 14 HB3 GLU 2 HB1 GLU 2 -3.324 1.826 1.124 15 HG2 GLU 2 HG2 GLU 2 -4.364 3.519 2.532 16 HG3 GLU 2 HG1 GLU 2 -3.798 4.198 1.006 17 H VAL 3 HN VAL 3 -4.459 2.605 -3.034 18 HA VAL 3 HA VAL 3 -2.777 3.099 -4.519 19 HB VAL 3 HB VAL 3 -4.000 5.157 -4.052 20 HG11 VAL 3 HG11 VAL 3 -1.813 5.797 -2.085 21 HG12 VAL 3 HG12 VAL 3 -3.500 5.452 -1.699 22 HG13 VAL 3 HG13 VAL 3 -3.083 6.901 -2.615 23 HG21 VAL 3 HG21 VAL 3 -2.310 5.177 -5.772 24 HG22 VAL 3 HG22 VAL 3 -1.068 5.580 -4.587 25 HG23 VAL 3 HG23 VAL 3 -2.349 6.736 -4.949 26 HA PRO 4 HA PRO 4 1.033 2.448 -2.009 27 HB2 PRO 4 HB2 PRO 4 1.200 -0.201 -1.910 28 HB3 PRO 4 HB1 PRO 4 0.027 0.655 -0.894 29 HG2 PRO 4 HG2 PRO 4 -0.420 -0.962 -3.341 30 HG3 PRO 4 HG1 PRO 4 -1.495 -0.684 -1.961 31 HD2 PRO 4 HD2 PRO 4 -1.472 0.679 -4.490 32 HD3 PRO 4 HD1 PRO 4 -2.542 0.967 -3.103 33 H SER 5 HN SER 5 2.741 0.351 -2.736 34 HA SER 5 HA SER 5 3.400 1.022 -5.495 35 HB2 SER 5 HB2 SER 5 4.906 -0.805 -3.611 36 HB3 SER 5 HB1 SER 5 5.522 -0.005 -5.056 37 HG SER 5 HG SER 5 4.838 2.004 -3.796 38 H GLY 6 HN GLY 6 1.155 -0.778 -4.401 39 HA2 GLY 6 HA2 GLY 6 0.277 -2.410 -6.100 40 HA3 GLY 6 HA1 GLY 6 1.823 -3.223 -5.900 41 HA PRO 7 HA PRO 7 0.505 -5.836 -2.685 42 HB2 PRO 7 HB2 PRO 7 2.197 -5.228 -0.576 43 HB3 PRO 7 HB1 PRO 7 2.601 -6.289 -1.930 44 HG2 PRO 7 HG2 PRO 7 3.227 -3.381 -1.545 45 HG3 PRO 7 HG1 PRO 7 4.277 -4.684 -2.149 46 HD2 PRO 7 HD2 PRO 7 3.153 -2.983 -3.839 47 HD3 PRO 7 HD1 PRO 7 3.216 -4.715 -4.234 48 H ASN 8 HN ASN 8 1.520 -3.089 -0.670 49 HA ASN 8 HA ASN 8 -1.177 -2.530 0.200 50 HB2 ASN 8 HB2 ASN 8 -0.972 -3.260 2.448 51 HB3 ASN 8 HB1 ASN 8 -0.355 -4.604 1.494 52 HD21 ASN 8 HD21 ASN 8 0.333 -2.236 3.850 53 HD22 ASN 8 HD22 ASN 8 1.983 -2.675 4.145 54 HA PRO 9 HA PRO 9 0.578 1.416 0.707 55 HB2 PRO 9 HB2 PRO 9 -0.807 2.544 2.711 56 HB3 PRO 9 HB1 PRO 9 -1.548 2.111 1.161 57 HG2 PRO 9 HG2 PRO 9 -1.538 0.556 3.737 58 HG3 PRO 9 HG1 PRO 9 -2.922 0.963 2.695 59 HD2 PRO 9 HD2 PRO 9 -1.730 -1.431 2.548 60 HD3 PRO 9 HD1 PRO 9 -2.341 -0.604 1.099 61 H SER 10 HN SER 10 2.271 -0.469 2.061 62 HA SER 10 HA SER 10 3.273 1.220 4.230 63 HB2 SER 10 HB2 SER 10 4.351 -1.400 3.149 64 HB3 SER 10 HB1 SER 10 4.992 -0.527 4.539 65 HG SER 10 HG SER 10 2.911 -0.798 5.521 66 H SER 11 HN SER 11 3.685 0.421 0.928 67 HA SER 11 HA SER 11 4.847 1.329 -0.778 68 HB2 SER 11 HB2 SER 11 5.151 3.667 1.118 69 HB3 SER 11 HB1 SER 11 5.345 3.718 -0.635 70 HG SER 11 HG SER 11 3.064 3.744 0.877 71 H ASN 12 HN ASN 12 6.331 -0.311 1.090 72 HA ASN 12 HA ASN 12 8.985 0.911 0.848 73 HB2 ASN 12 HB2 ASN 12 9.623 -0.853 2.630 74 HB3 ASN 12 HB1 ASN 12 8.749 0.582 3.133 75 HD21 ASN 12 HD21 ASN 12 7.383 -2.266 1.533 76 HD22 ASN 12 HD22 ASN 12 6.383 -2.734 2.872 Start of MODEL 6 1 H1 HIS 1 HT1 HIS 1 -6.367 -0.929 -0.639 2 H2 HIS 1 HT2 HIS 1 -6.983 -0.295 -2.078 3 H3 HIS 1 HT3 HIS 1 -7.837 -1.498 -1.247 4 HA HIS 1 HA HIS 1 -8.879 0.610 -0.892 5 HB2 HIS 1 HB2 HIS 1 -8.956 0.620 1.519 6 HB3 HIS 1 HB1 HIS 1 -8.817 -1.043 0.979 7 HD1 HIS 1 HD1 HIS 1 -6.937 -2.395 1.950 8 HD2 HIS 1 HD2 HIS 1 -6.491 1.680 2.641 9 HE1 HIS 1 HE1 HIS 1 -5.001 -2.184 3.536 10 HE2 HIS 1 HE2 HIS 1 -4.864 0.274 4.072 11 H GLU 2 HN GLU 2 -5.505 0.620 -0.812 12 HA GLU 2 HA GLU 2 -5.530 3.548 -0.805 13 HB2 GLU 2 HB2 GLU 2 -4.606 2.615 1.362 14 HB3 GLU 2 HB1 GLU 2 -3.353 1.830 0.414 15 HG2 GLU 2 HG2 GLU 2 -2.660 3.964 1.490 16 HG3 GLU 2 HG1 GLU 2 -2.431 3.910 -0.257 17 H VAL 3 HN VAL 3 -3.667 4.397 -2.090 18 HA VAL 3 HA VAL 3 -2.958 2.498 -4.212 19 HB VAL 3 HB VAL 3 -2.472 5.474 -4.239 20 HG11 VAL 3 HG11 VAL 3 -2.374 5.113 -6.676 21 HG12 VAL 3 HG12 VAL 3 -2.577 3.382 -6.404 22 HG13 VAL 3 HG13 VAL 3 -1.137 4.206 -5.806 23 HG21 VAL 3 HG21 VAL 3 -4.507 5.678 -5.586 24 HG22 VAL 3 HG22 VAL 3 -4.867 5.074 -3.968 25 HG23 VAL 3 HG23 VAL 3 -4.844 3.963 -5.338 26 HA PRO 4 HA PRO 4 1.076 2.717 -2.157 27 HB2 PRO 4 HB2 PRO 4 1.400 0.119 -1.776 28 HB3 PRO 4 HB1 PRO 4 0.157 0.987 -0.866 29 HG2 PRO 4 HG2 PRO 4 -0.143 -0.890 -3.144 30 HG3 PRO 4 HG1 PRO 4 -1.255 -0.555 -1.805 31 HD2 PRO 4 HD2 PRO 4 -1.270 0.570 -4.456 32 HD3 PRO 4 HD1 PRO 4 -2.396 0.893 -3.122 33 H SER 5 HN SER 5 2.762 0.402 -2.782 34 HA SER 5 HA SER 5 3.557 1.054 -5.480 35 HB2 SER 5 HB2 SER 5 5.303 -0.744 -5.038 36 HB3 SER 5 HB1 SER 5 5.343 0.637 -3.942 37 HG SER 5 HG SER 5 4.603 -0.578 -2.329 38 H GLY 6 HN GLY 6 1.519 -1.154 -3.926 39 HA2 GLY 6 HA2 GLY 6 0.195 -2.293 -5.935 40 HA3 GLY 6 HA1 GLY 6 1.688 -3.222 -5.955 41 HA PRO 7 HA PRO 7 0.573 -5.888 -2.611 42 HB2 PRO 7 HB2 PRO 7 2.245 -5.143 -0.516 43 HB3 PRO 7 HB1 PRO 7 2.665 -6.269 -1.810 44 HG2 PRO 7 HG2 PRO 7 3.274 -3.342 -1.570 45 HG3 PRO 7 HG1 PRO 7 4.315 -4.665 -2.145 46 HD2 PRO 7 HD2 PRO 7 3.145 -3.027 -3.875 47 HD3 PRO 7 HD1 PRO 7 3.226 -4.771 -4.212 48 H ASN 8 HN ASN 8 1.527 -3.097 -0.643 49 HA ASN 8 HA ASN 8 -1.172 -2.494 0.144 50 HB2 ASN 8 HB2 ASN 8 -0.864 -3.045 2.525 51 HB3 ASN 8 HB1 ASN 8 -0.750 -4.486 1.526 52 HD21 ASN 8 HD21 ASN 8 1.172 -5.590 1.409 53 HD22 ASN 8 HD22 ASN 8 2.525 -5.231 2.423 54 HA PRO 9 HA PRO 9 0.684 1.414 0.879 55 HB2 PRO 9 HB2 PRO 9 -0.801 2.438 2.904 56 HB3 PRO 9 HB1 PRO 9 -1.393 2.265 1.246 57 HG2 PRO 9 HG2 PRO 9 -1.853 0.488 3.613 58 HG3 PRO 9 HG1 PRO 9 -3.012 1.052 2.388 59 HD2 PRO 9 HD2 PRO 9 -1.911 -1.409 2.299 60 HD3 PRO 9 HD1 PRO 9 -2.315 -0.496 0.833 61 H SER 10 HN SER 10 2.393 -0.309 1.909 62 HA SER 10 HA SER 10 3.270 1.126 4.325 63 HB2 SER 10 HB2 SER 10 2.736 -1.264 4.815 64 HB3 SER 10 HB1 SER 10 3.915 -1.751 3.600 65 HG SER 10 HG SER 10 5.467 -0.510 4.894 66 H SER 11 HN SER 11 3.530 1.486 1.372 67 HA SER 11 HA SER 11 6.328 0.922 0.822 68 HB2 SER 11 HB2 SER 11 4.325 2.341 -0.942 69 HB3 SER 11 HB1 SER 11 5.821 1.552 -1.433 70 HG SER 11 HG SER 11 4.245 -0.181 -0.099 71 H ASN 12 HN ASN 12 7.884 2.359 1.183 72 HA ASN 12 HA ASN 12 7.184 5.211 1.218 73 HB2 ASN 12 HB2 ASN 12 8.912 3.712 3.192 74 HB3 ASN 12 HB1 ASN 12 8.928 5.465 3.040 75 HD21 ASN 12 HD21 ASN 12 6.115 5.744 2.535 76 HD22 ASN 12 HD22 ASN 12 5.305 5.415 4.024 Start of MODEL 7 1 H1 HIS 1 HT1 HIS 1 -5.509 -2.441 -4.591 2 H2 HIS 1 HT2 HIS 1 -4.690 -0.993 -4.883 3 H3 HIS 1 HT3 HIS 1 -6.356 -0.980 -4.603 4 HA HIS 1 HA HIS 1 -6.024 -1.765 -2.364 5 HB2 HIS 1 HB2 HIS 1 -3.129 -1.665 -3.197 6 HB3 HIS 1 HB1 HIS 1 -3.603 -1.602 -1.507 7 HD1 HIS 1 HD1 HIS 1 -2.959 -3.943 -4.241 8 HD2 HIS 1 HD2 HIS 1 -5.007 -3.986 -0.624 9 HE1 HIS 1 HE1 HIS 1 -3.389 -6.365 -3.734 10 HE2 HIS 1 HE2 HIS 1 -4.787 -6.350 -1.643 11 H GLU 2 HN GLU 2 -4.140 -0.156 -0.864 12 HA GLU 2 HA GLU 2 -5.568 2.328 -1.024 13 HB2 GLU 2 HB2 GLU 2 -4.615 1.007 1.055 14 HB3 GLU 2 HB1 GLU 2 -3.170 1.938 0.707 15 HG2 GLU 2 HG2 GLU 2 -4.386 4.011 0.941 16 HG3 GLU 2 HG1 GLU 2 -5.880 3.122 1.221 17 H VAL 3 HN VAL 3 -4.389 2.250 -3.376 18 HA VAL 3 HA VAL 3 -2.764 2.933 -4.824 19 HB VAL 3 HB VAL 3 -3.041 5.397 -3.123 20 HG11 VAL 3 HG11 VAL 3 -2.380 5.088 -6.055 21 HG12 VAL 3 HG12 VAL 3 -1.254 5.575 -4.788 22 HG13 VAL 3 HG13 VAL 3 -2.611 6.619 -5.211 23 HG21 VAL 3 HG21 VAL 3 -5.226 4.525 -3.687 24 HG22 VAL 3 HG22 VAL 3 -4.766 4.417 -5.387 25 HG23 VAL 3 HG23 VAL 3 -4.904 5.994 -4.609 26 HA PRO 4 HA PRO 4 1.004 2.713 -2.174 27 HB2 PRO 4 HB2 PRO 4 1.319 0.096 -1.810 28 HB3 PRO 4 HB1 PRO 4 0.109 0.990 -0.878 29 HG2 PRO 4 HG2 PRO 4 -0.268 -0.936 -3.089 30 HG3 PRO 4 HG1 PRO 4 -1.387 -0.470 -1.798 31 HD2 PRO 4 HD2 PRO 4 -1.240 0.534 -4.516 32 HD3 PRO 4 HD1 PRO 4 -2.447 0.898 -3.264 33 H SER 5 HN SER 5 2.720 0.387 -2.780 34 HA SER 5 HA SER 5 3.413 1.044 -5.541 35 HB2 SER 5 HB2 SER 5 5.160 0.926 -3.705 36 HB3 SER 5 HB1 SER 5 4.883 -0.815 -3.655 37 HG SER 5 HG SER 5 6.435 0.584 -5.320 38 H GLY 6 HN GLY 6 1.265 -0.871 -4.163 39 HA2 GLY 6 HA2 GLY 6 0.233 -2.355 -5.986 40 HA3 GLY 6 HA1 GLY 6 1.762 -3.212 -5.869 41 HA PRO 7 HA PRO 7 0.555 -5.887 -2.623 42 HB2 PRO 7 HB2 PRO 7 2.237 -5.153 -0.520 43 HB3 PRO 7 HB1 PRO 7 2.631 -6.293 -1.809 44 HG2 PRO 7 HG2 PRO 7 3.289 -3.376 -1.590 45 HG3 PRO 7 HG1 PRO 7 4.303 -4.718 -2.167 46 HD2 PRO 7 HD2 PRO 7 3.161 -3.077 -3.900 47 HD3 PRO 7 HD1 PRO 7 3.180 -4.826 -4.219 48 H ASN 8 HN ASN 8 1.499 -3.087 -0.667 49 HA ASN 8 HA ASN 8 -1.200 -2.538 0.183 50 HB2 ASN 8 HB2 ASN 8 -0.908 -3.131 2.511 51 HB3 ASN 8 HB1 ASN 8 -0.521 -4.551 1.551 52 HD21 ASN 8 HD21 ASN 8 0.260 -3.778 4.266 53 HD22 ASN 8 HD22 ASN 8 1.989 -3.816 4.288 54 HA PRO 9 HA PRO 9 0.698 1.408 0.887 55 HB2 PRO 9 HB2 PRO 9 -0.666 2.445 2.962 56 HB3 PRO 9 HB1 PRO 9 -1.389 2.212 1.364 57 HG2 PRO 9 HG2 PRO 9 -1.561 0.437 3.784 58 HG3 PRO 9 HG1 PRO 9 -2.878 1.022 2.747 59 HD2 PRO 9 HD2 PRO 9 -1.841 -1.428 2.431 60 HD3 PRO 9 HD1 PRO 9 -2.357 -0.450 1.036 61 H SER 10 HN SER 10 2.337 -0.497 1.859 62 HA SER 10 HA SER 10 3.193 0.238 4.522 63 HB2 SER 10 HB2 SER 10 5.155 -1.292 3.859 64 HB3 SER 10 HB1 SER 10 3.563 -2.038 3.988 65 HG SER 10 HG SER 10 3.640 -2.500 1.945 66 H SER 11 HN SER 11 3.309 1.646 1.593 67 HA SER 11 HA SER 11 5.977 2.786 1.850 68 HB2 SER 11 HB2 SER 11 5.225 3.913 -0.351 69 HB3 SER 11 HB1 SER 11 5.511 2.174 -0.375 70 HG SER 11 HG SER 11 3.157 3.593 -0.666 71 H ASN 12 HN ASN 12 3.913 3.370 3.805 72 HA ASN 12 HA ASN 12 3.714 6.275 3.417 73 HB2 ASN 12 HB2 ASN 12 1.573 4.467 4.566 74 HB3 ASN 12 HB1 ASN 12 1.517 6.227 4.580 75 HD21 ASN 12 HD21 ASN 12 1.137 7.333 2.670 76 HD22 ASN 12 HD22 ASN 12 0.525 6.544 1.257 Start of MODEL 8 1 H1 HIS 1 HT1 HIS 1 -7.496 -1.839 -0.397 2 H2 HIS 1 HT2 HIS 1 -6.042 -0.982 -0.258 3 H3 HIS 1 HT3 HIS 1 -6.799 -1.121 -1.760 4 HA HIS 1 HA HIS 1 -8.646 0.196 -1.040 5 HB2 HIS 1 HB2 HIS 1 -7.124 0.357 1.575 6 HB3 HIS 1 HB1 HIS 1 -8.492 1.377 1.164 7 HD1 HIS 1 HD1 HIS 1 -10.833 0.085 0.871 8 HD2 HIS 1 HD2 HIS 1 -7.766 -2.047 2.696 9 HE1 HIS 1 HE1 HIS 1 -11.950 -1.822 2.070 10 HE2 HIS 1 HE2 HIS 1 -10.083 -3.069 3.208 11 H GLU 2 HN GLU 2 -5.615 1.161 0.541 12 HA GLU 2 HA GLU 2 -5.454 3.638 -0.851 13 HB2 GLU 2 HB2 GLU 2 -4.397 3.114 1.392 14 HB3 GLU 2 HB1 GLU 2 -3.223 2.137 0.526 15 HG2 GLU 2 HG2 GLU 2 -2.366 4.360 1.097 16 HG3 GLU 2 HG1 GLU 2 -2.392 4.065 -0.640 17 H VAL 3 HN VAL 3 -3.742 4.214 -2.380 18 HA VAL 3 HA VAL 3 -3.015 1.958 -4.108 19 HB VAL 3 HB VAL 3 -2.712 4.903 -4.716 20 HG11 VAL 3 HG11 VAL 3 -2.545 4.116 -7.039 21 HG12 VAL 3 HG12 VAL 3 -2.644 2.450 -6.469 22 HG13 VAL 3 HG13 VAL 3 -1.265 3.454 -6.023 23 HG21 VAL 3 HG21 VAL 3 -4.945 3.023 -5.487 24 HG22 VAL 3 HG22 VAL 3 -4.740 4.671 -6.079 25 HG23 VAL 3 HG23 VAL 3 -5.068 4.383 -4.371 26 HA PRO 4 HA PRO 4 1.056 2.715 -2.264 27 HB2 PRO 4 HB2 PRO 4 1.647 0.171 -1.735 28 HB3 PRO 4 HB1 PRO 4 0.444 1.036 -0.766 29 HG2 PRO 4 HG2 PRO 4 0.060 -1.063 -2.827 30 HG3 PRO 4 HG1 PRO 4 -0.946 -0.659 -1.428 31 HD2 PRO 4 HD2 PRO 4 -1.304 0.155 -4.153 32 HD3 PRO 4 HD1 PRO 4 -2.295 0.586 -2.745 33 H SER 5 HN SER 5 2.885 0.430 -2.831 34 HA SER 5 HA SER 5 3.538 1.054 -5.581 35 HB2 SER 5 HB2 SER 5 5.317 0.766 -3.863 36 HB3 SER 5 HB1 SER 5 4.845 -0.920 -3.686 37 HG SER 5 HG SER 5 5.580 -1.352 -5.707 38 H GLY 6 HN GLY 6 1.357 -0.877 -4.165 39 HA2 GLY 6 HA2 GLY 6 0.203 -2.241 -6.042 40 HA3 GLY 6 HA1 GLY 6 1.695 -3.167 -5.954 41 HA PRO 7 HA PRO 7 0.436 -5.749 -2.653 42 HB2 PRO 7 HB2 PRO 7 2.162 -5.099 -0.570 43 HB3 PRO 7 HB1 PRO 7 2.513 -6.228 -1.881 44 HG2 PRO 7 HG2 PRO 7 3.253 -3.334 -1.618 45 HG3 PRO 7 HG1 PRO 7 4.229 -4.695 -2.217 46 HD2 PRO 7 HD2 PRO 7 3.119 -2.991 -3.917 47 HD3 PRO 7 HD1 PRO 7 3.118 -4.732 -4.272 48 H ASN 8 HN ASN 8 1.527 -3.062 -0.604 49 HA ASN 8 HA ASN 8 -1.153 -2.517 0.355 50 HB2 ASN 8 HB2 ASN 8 -0.526 -4.584 1.575 51 HB3 ASN 8 HB1 ASN 8 0.939 -3.797 2.147 52 HD21 ASN 8 HD21 ASN 8 0.828 -2.369 3.845 53 HD22 ASN 8 HD22 ASN 8 -0.612 -2.132 4.779 54 HA PRO 9 HA PRO 9 0.826 1.421 1.011 55 HB2 PRO 9 HB2 PRO 9 -0.806 2.457 2.933 56 HB3 PRO 9 HB1 PRO 9 -1.233 2.381 1.217 57 HG2 PRO 9 HG2 PRO 9 -1.985 0.509 3.439 58 HG3 PRO 9 HG1 PRO 9 -3.016 1.208 2.172 59 HD2 PRO 9 HD2 PRO 9 -2.082 -1.292 1.966 60 HD3 PRO 9 HD1 PRO 9 -2.194 -0.236 0.540 61 H SER 10 HN SER 10 2.622 0.132 1.943 62 HA SER 10 HA SER 10 2.928 0.836 4.785 63 HB2 SER 10 HB2 SER 10 4.245 -1.455 3.301 64 HB3 SER 10 HB1 SER 10 4.456 -1.066 5.009 65 HG SER 10 HG SER 10 2.275 -1.530 5.341 66 H SER 11 HN SER 11 3.553 1.980 1.944 67 HA SER 11 HA SER 11 5.008 3.521 1.143 68 HB2 SER 11 HB2 SER 11 4.754 4.349 3.539 69 HB3 SER 11 HB1 SER 11 6.292 3.560 3.878 70 HG SER 11 HG SER 11 5.737 5.825 2.333 71 H ASN 12 HN ASN 12 5.668 0.968 0.496 72 HA ASN 12 HA ASN 12 8.588 1.134 0.412 73 HB2 ASN 12 HB2 ASN 12 8.889 -1.221 0.830 74 HB3 ASN 12 HB1 ASN 12 7.965 -0.539 2.160 75 HD21 ASN 12 HD21 ASN 12 5.755 -1.018 2.315 76 HD22 ASN 12 HD22 ASN 12 5.073 -2.403 1.536 Start of MODEL 9 1 H1 HIS 1 HT1 HIS 1 -7.558 0.539 -3.285 2 H2 HIS 1 HT2 HIS 1 -5.988 0.885 -2.776 3 H3 HIS 1 HT3 HIS 1 -6.852 2.025 -3.674 4 HA HIS 1 HA HIS 1 -8.453 2.255 -1.890 5 HB2 HIS 1 HB2 HIS 1 -8.084 -0.061 -0.998 6 HB3 HIS 1 HB1 HIS 1 -6.556 0.487 -0.326 7 HD1 HIS 1 HD1 HIS 1 -10.112 0.234 0.418 8 HD2 HIS 1 HD2 HIS 1 -6.903 2.508 1.766 9 HE1 HIS 1 HE1 HIS 1 -10.840 1.195 2.624 10 HE2 HIS 1 HE2 HIS 1 -8.889 2.572 3.423 11 H GLU 2 HN GLU 2 -4.976 1.829 -1.083 12 HA GLU 2 HA GLU 2 -5.016 4.603 -0.108 13 HB2 GLU 2 HB2 GLU 2 -4.436 2.708 1.478 14 HB3 GLU 2 HB1 GLU 2 -2.967 2.486 0.543 15 HG2 GLU 2 HG2 GLU 2 -2.693 3.827 2.617 16 HG3 GLU 2 HG1 GLU 2 -2.167 4.637 1.144 17 H VAL 3 HN VAL 3 -4.244 3.014 -2.781 18 HA VAL 3 HA VAL 3 -2.843 3.190 -4.528 19 HB VAL 3 HB VAL 3 -2.538 5.979 -3.458 20 HG11 VAL 3 HG11 VAL 3 -2.122 4.931 -6.257 21 HG12 VAL 3 HG12 VAL 3 -0.846 5.445 -5.155 22 HG13 VAL 3 HG13 VAL 3 -2.011 6.620 -5.763 23 HG21 VAL 3 HG21 VAL 3 -4.865 5.394 -3.770 24 HG22 VAL 3 HG22 VAL 3 -4.525 4.845 -5.410 25 HG23 VAL 3 HG23 VAL 3 -4.358 6.552 -5.000 26 HA PRO 4 HA PRO 4 1.098 2.732 -2.185 27 HB2 PRO 4 HB2 PRO 4 1.140 0.119 -1.751 28 HB3 PRO 4 HB1 PRO 4 0.093 1.161 -0.768 29 HG2 PRO 4 HG2 PRO 4 -0.620 -0.670 -3.013 30 HG3 PRO 4 HG1 PRO 4 -1.533 -0.277 -1.547 31 HD2 PRO 4 HD2 PRO 4 -1.860 0.869 -4.120 32 HD3 PRO 4 HD1 PRO 4 -2.618 1.404 -2.609 33 H SER 5 HN SER 5 2.672 0.500 -2.801 34 HA SER 5 HA SER 5 3.064 0.958 -5.664 35 HB2 SER 5 HB2 SER 5 4.929 -0.232 -3.600 36 HB3 SER 5 HB1 SER 5 5.336 0.089 -5.286 37 HG SER 5 HG SER 5 5.962 1.758 -3.735 38 H GLY 6 HN GLY 6 1.018 -0.877 -4.607 39 HA2 GLY 6 HA2 GLY 6 0.444 -2.745 -6.145 40 HA3 GLY 6 HA1 GLY 6 2.044 -3.375 -5.802 41 HA PRO 7 HA PRO 7 0.730 -5.922 -2.504 42 HB2 PRO 7 HB2 PRO 7 2.233 -4.979 -0.353 43 HB3 PRO 7 HB1 PRO 7 2.784 -6.154 -1.550 44 HG2 PRO 7 HG2 PRO 7 3.238 -3.192 -1.450 45 HG3 PRO 7 HG1 PRO 7 4.376 -4.490 -1.879 46 HD2 PRO 7 HD2 PRO 7 3.251 -3.022 -3.775 47 HD3 PRO 7 HD1 PRO 7 3.418 -4.778 -3.994 48 H ASN 8 HN ASN 8 1.461 -3.057 -0.586 49 HA ASN 8 HA ASN 8 -1.234 -2.272 -0.160 50 HB2 ASN 8 HB2 ASN 8 -1.516 -2.970 2.137 51 HB3 ASN 8 HB1 ASN 8 -1.117 -4.399 1.199 52 HD21 ASN 8 HD21 ASN 8 0.941 -5.333 1.432 53 HD22 ASN 8 HD22 ASN 8 1.919 -5.007 2.820 54 HA PRO 9 HA PRO 9 0.790 1.447 0.982 55 HB2 PRO 9 HB2 PRO 9 -0.481 2.291 3.262 56 HB3 PRO 9 HB1 PRO 9 -1.121 2.469 1.621 57 HG2 PRO 9 HG2 PRO 9 -1.732 0.367 3.667 58 HG3 PRO 9 HG1 PRO 9 -2.846 1.260 2.609 59 HD2 PRO 9 HD2 PRO 9 -2.102 -1.229 2.014 60 HD3 PRO 9 HD1 PRO 9 -2.280 -0.003 0.741 61 H SER 10 HN SER 10 1.797 2.683 2.906 62 HA SER 10 HA SER 10 3.548 2.805 4.330 63 HB2 SER 10 HB2 SER 10 2.210 1.405 5.888 64 HB3 SER 10 HB1 SER 10 2.882 -0.040 5.136 65 HG SER 10 HG SER 10 4.999 0.992 5.719 66 H SER 11 HN SER 11 3.427 1.328 1.606 67 HA SER 11 HA SER 11 6.289 0.743 1.574 68 HB2 SER 11 HB2 SER 11 4.193 -1.032 0.286 69 HB3 SER 11 HB1 SER 11 5.939 -1.239 0.163 70 HG SER 11 HG SER 11 5.781 -1.288 2.602 71 H ASN 12 HN ASN 12 6.914 2.446 0.365 72 HA ASN 12 HA ASN 12 5.462 2.932 -2.152 73 HB2 ASN 12 HB2 ASN 12 7.044 4.860 -0.438 74 HB3 ASN 12 HB1 ASN 12 6.415 5.248 -2.036 75 HD21 ASN 12 HD21 ASN 12 3.967 3.709 -1.622 76 HD22 ASN 12 HD22 ASN 12 2.991 4.659 -0.558 Start of MODEL 10 1 H1 HIS 1 HT1 HIS 1 -5.757 -2.539 -1.997 2 H2 HIS 1 HT2 HIS 1 -5.160 -1.694 -0.664 3 H3 HIS 1 HT3 HIS 1 -4.718 -1.232 -2.229 4 HA HIS 1 HA HIS 1 -6.931 -0.559 -2.741 5 HB2 HIS 1 HB2 HIS 1 -7.517 -1.594 0.036 6 HB3 HIS 1 HB1 HIS 1 -8.608 -0.522 -0.833 7 HD1 HIS 1 HD1 HIS 1 -7.525 -4.057 -0.600 8 HD2 HIS 1 HD2 HIS 1 -9.863 -1.701 -3.104 9 HE1 HIS 1 HE1 HIS 1 -8.837 -5.664 -2.016 10 HE2 HIS 1 HE2 HIS 1 -10.380 -4.217 -3.374 11 H GLU 2 HN GLU 2 -4.450 0.576 -1.861 12 HA GLU 2 HA GLU 2 -5.489 3.084 -0.831 13 HB2 GLU 2 HB2 GLU 2 -4.661 1.642 1.105 14 HB3 GLU 2 HB1 GLU 2 -3.056 1.825 0.430 15 HG2 GLU 2 HG2 GLU 2 -3.629 3.396 2.298 16 HG3 GLU 2 HG1 GLU 2 -3.045 4.155 0.819 17 H VAL 3 HN VAL 3 -4.513 2.054 -3.328 18 HA VAL 3 HA VAL 3 -2.868 2.132 -4.904 19 HB VAL 3 HB VAL 3 -4.256 4.085 -5.292 20 HG11 VAL 3 HG11 VAL 3 -2.262 5.632 -3.656 21 HG12 VAL 3 HG12 VAL 3 -3.936 5.292 -3.219 22 HG13 VAL 3 HG13 VAL 3 -3.578 6.325 -4.604 23 HG21 VAL 3 HG21 VAL 3 -1.343 4.568 -5.868 24 HG22 VAL 3 HG22 VAL 3 -2.688 5.380 -6.666 25 HG23 VAL 3 HG23 VAL 3 -2.475 3.639 -6.850 26 HA PRO 4 HA PRO 4 0.879 2.715 -2.282 27 HB2 PRO 4 HB2 PRO 4 1.410 0.178 -1.639 28 HB3 PRO 4 HB1 PRO 4 0.182 1.104 -0.772 29 HG2 PRO 4 HG2 PRO 4 -0.141 -1.062 -2.765 30 HG3 PRO 4 HG1 PRO 4 -1.202 -0.593 -1.428 31 HD2 PRO 4 HD2 PRO 4 -1.459 0.098 -4.179 32 HD3 PRO 4 HD1 PRO 4 -2.458 0.657 -2.826 33 H SER 5 HN SER 5 2.734 0.470 -2.546 34 HA SER 5 HA SER 5 3.849 0.967 -5.109 35 HB2 SER 5 HB2 SER 5 5.261 -1.106 -4.397 36 HB3 SER 5 HB1 SER 5 5.400 0.373 -3.444 37 HG SER 5 HG SER 5 5.065 -1.655 -2.234 38 H GLY 6 HN GLY 6 1.391 -1.000 -3.956 39 HA2 GLY 6 HA2 GLY 6 0.169 -2.042 -6.005 40 HA3 GLY 6 HA1 GLY 6 1.625 -3.033 -6.041 41 HA PRO 7 HA PRO 7 0.294 -5.722 -2.738 42 HB2 PRO 7 HB2 PRO 7 2.096 -5.218 -0.700 43 HB3 PRO 7 HB1 PRO 7 2.394 -6.294 -2.068 44 HG2 PRO 7 HG2 PRO 7 3.186 -3.416 -1.712 45 HG3 PRO 7 HG1 PRO 7 4.148 -4.778 -2.336 46 HD2 PRO 7 HD2 PRO 7 3.065 -3.037 -4.008 47 HD3 PRO 7 HD1 PRO 7 3.023 -4.774 -4.386 48 H ASN 8 HN ASN 8 1.593 -3.117 -0.694 49 HA ASN 8 HA ASN 8 -1.050 -2.560 0.402 50 HB2 ASN 8 HB2 ASN 8 1.171 -3.918 1.921 51 HB3 ASN 8 HB1 ASN 8 -0.043 -2.958 2.749 52 HD21 ASN 8 HD21 ASN 8 0.616 -5.838 2.809 53 HD22 ASN 8 HD22 ASN 8 -0.878 -6.645 2.481 54 HA PRO 9 HA PRO 9 0.703 1.460 0.948 55 HB2 PRO 9 HB2 PRO 9 -0.752 2.386 3.035 56 HB3 PRO 9 HB1 PRO 9 -1.412 2.191 1.406 57 HG2 PRO 9 HG2 PRO 9 -1.642 0.362 3.770 58 HG3 PRO 9 HG1 PRO 9 -2.902 0.889 2.633 59 HD2 PRO 9 HD2 PRO 9 -1.708 -1.510 2.411 60 HD3 PRO 9 HD1 PRO 9 -2.210 -0.570 0.989 61 H SER 10 HN SER 10 2.447 -0.346 1.984 62 HA SER 10 HA SER 10 3.247 0.905 4.524 63 HB2 SER 10 HB2 SER 10 4.733 -1.151 4.742 64 HB3 SER 10 HB1 SER 10 2.998 -1.446 4.862 65 HG SER 10 HG SER 10 3.873 -2.965 3.488 66 H SER 11 HN SER 11 3.605 1.555 1.526 67 HA SER 11 HA SER 11 5.160 2.329 0.078 68 HB2 SER 11 HB2 SER 11 6.964 3.748 1.102 69 HB3 SER 11 HB1 SER 11 5.336 4.132 1.649 70 HG SER 11 HG SER 11 6.460 2.265 3.242 71 H ASN 12 HN ASN 12 5.424 -0.388 0.601 72 HA ASN 12 HA ASN 12 8.323 -0.772 0.308 73 HB2 ASN 12 HB2 ASN 12 7.664 -1.652 2.476 74 HB3 ASN 12 HB1 ASN 12 6.348 -2.561 1.744 75 HD21 ASN 12 HD21 ASN 12 9.787 -2.353 2.191 76 HD22 ASN 12 HD22 ASN 12 10.150 -3.967 1.684
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