NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636687 | 6ctg | 30443 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 9.003 -3.720 7.217 2 H2 SER 1 HT2 SER 1 7.428 -3.758 6.592 3 H3 SER 1 HT3 SER 1 7.801 -2.743 7.900 4 HA SER 1 HA SER 1 8.509 -1.118 6.599 5 HB2 SER 1 HB2 SER 1 9.849 -2.974 4.669 6 HB3 SER 1 HB1 SER 1 10.368 -1.389 5.237 7 HG SER 1 HG SER 1 11.562 -2.515 6.567 8 H ARG 2 HN ARG 2 6.072 -2.752 6.133 9 HA ARG 2 HA ARG 2 5.578 -2.856 3.312 10 HB2 ARG 2 HB2 ARG 2 4.351 -3.959 5.470 11 HB3 ARG 2 HB1 ARG 2 3.273 -2.605 5.150 12 HG2 ARG 2 HG2 ARG 2 2.312 -4.060 3.670 13 HG3 ARG 2 HG1 ARG 2 3.625 -3.528 2.618 14 HD2 ARG 2 HD2 ARG 2 3.498 -5.988 2.682 15 HD3 ARG 2 HD1 ARG 2 5.015 -5.418 3.378 16 HE ARG 2 HE ARG 2 2.914 -5.801 5.336 17 HH11 ARG 2 HH11 ARG 2 3.292 -7.458 6.852 18 HH12 ARG 2 HH12 ARG 2 4.496 -8.658 6.536 19 HH21 ARG 2 HH21 ARG 2 5.414 -7.311 3.468 20 HH22 ARG 2 HH22 ARG 2 5.707 -8.570 4.620 21 H SER 3 HN SER 3 5.282 -0.500 5.810 22 HA SER 3 HA SER 3 3.423 1.283 4.924 23 HB2 SER 3 HB2 SER 3 6.053 2.280 5.950 24 HB3 SER 3 HB1 SER 3 4.427 2.854 6.314 25 HG SER 3 HG SER 3 4.997 1.645 8.057 26 H GLU 4 HN GLU 4 6.784 1.032 3.754 27 HA GLU 4 HA GLU 4 6.445 3.328 2.023 28 HB2 GLU 4 HB2 GLU 4 8.630 1.282 1.744 29 HB3 GLU 4 HB1 GLU 4 8.679 3.013 1.402 30 HG2 GLU 4 HG2 GLU 4 9.716 3.084 3.445 31 HG3 GLU 4 HG1 GLU 4 8.052 3.104 4.027 32 H LEU 5 HN LEU 5 6.198 -0.128 1.790 33 HA LEU 5 HA LEU 5 6.086 -0.264 -1.048 34 HB2 LEU 5 HB2 LEU 5 4.846 -2.319 0.755 35 HB3 LEU 5 HB1 LEU 5 5.696 -2.550 -0.777 36 HG LEU 5 HG LEU 5 6.940 -1.696 1.851 37 HD11 LEU 5 HD11 LEU 5 8.255 -3.886 1.306 38 HD12 LEU 5 HD12 LEU 5 6.858 -4.258 0.295 39 HD13 LEU 5 HD13 LEU 5 6.651 -3.999 2.025 40 HD21 LEU 5 HD21 LEU 5 7.931 -1.729 -0.971 41 HD22 LEU 5 HD22 LEU 5 9.051 -2.206 0.304 42 HD23 LEU 5 HD23 LEU 5 8.309 -0.609 0.338 43 H ILE 6 HN ILE 6 3.620 -0.284 1.516 44 HA ILE 6 HA ILE 6 1.386 -0.672 -0.113 45 HB ILE 6 HB ILE 6 1.290 -0.896 2.310 46 HG12 ILE 6 HG12 ILE 6 -0.540 1.368 1.461 47 HG13 ILE 6 HG11 ILE 6 -0.776 -0.304 0.948 48 HG21 ILE 6 HG21 ILE 6 1.322 1.031 3.779 49 HG22 ILE 6 HG22 ILE 6 1.474 2.129 2.409 50 HG23 ILE 6 HG23 ILE 6 2.798 1.039 2.816 51 HD11 ILE 6 HD11 ILE 6 -2.134 0.186 2.944 52 HD12 ILE 6 HD12 ILE 6 -0.683 0.673 3.821 53 HD13 ILE 6 HD13 ILE 6 -0.887 -1.004 3.320 54 H VAL 7 HN VAL 7 2.901 2.432 0.831 55 HA VAL 7 HA VAL 7 0.965 4.119 -0.169 56 HB VAL 7 HB VAL 7 2.977 5.668 -0.637 57 HG11 VAL 7 HG11 VAL 7 1.917 6.184 1.344 58 HG12 VAL 7 HG12 VAL 7 3.442 5.595 2.000 59 HG13 VAL 7 HG13 VAL 7 2.030 4.538 1.960 60 HG21 VAL 7 HG21 VAL 7 4.709 3.990 -0.873 61 HG22 VAL 7 HG22 VAL 7 4.317 3.302 0.702 62 HG23 VAL 7 HG23 VAL 7 5.031 4.908 0.595 63 H HIS 8 HN HIS 8 3.500 2.428 -1.918 64 HA HIS 8 HA HIS 8 2.918 3.730 -4.417 65 HB2 HIS 8 HB2 HIS 8 5.128 2.558 -3.749 66 HB3 HIS 8 HB1 HIS 8 4.293 1.059 -4.157 67 HD2 HIS 8 HD2 HIS 8 6.682 3.004 -6.028 68 HE1 HIS 8 HE1 HIS 8 3.633 2.439 -8.892 69 HE2 HIS 8 HE2 HIS 8 6.066 3.081 -8.566 70 H GLN 9 HN GLN 9 2.297 0.464 -3.113 71 HA GLN 9 HA GLN 9 0.704 -0.413 -5.282 72 HB2 GLN 9 HB2 GLN 9 0.947 -1.272 -2.406 73 HB3 GLN 9 HB1 GLN 9 -0.200 -2.043 -3.508 74 HG2 GLN 9 HG2 GLN 9 1.457 -3.003 -4.782 75 HG3 GLN 9 HG1 GLN 9 2.597 -1.689 -4.485 76 HE21 GLN 9 HE21 GLN 9 3.211 -1.572 -1.960 77 HE22 GLN 9 HE22 GLN 9 3.620 -3.074 -1.276 78 H ARG 10 HN ARG 10 0.025 1.531 -2.505 79 HA ARG 10 HA ARG 10 -2.838 1.306 -2.564 80 HB2 ARG 10 HB2 ARG 10 -1.607 2.029 -0.548 81 HB3 ARG 10 HB1 ARG 10 -1.059 3.472 -1.398 82 HG2 ARG 10 HG2 ARG 10 -2.917 4.357 -0.346 83 HG3 ARG 10 HG1 ARG 10 -3.693 3.769 -1.817 84 HD2 ARG 10 HD2 ARG 10 -3.475 2.187 0.762 85 HD3 ARG 10 HD1 ARG 10 -4.901 3.101 0.274 86 HE ARG 10 HE ARG 10 -4.105 0.523 -0.700 87 HH11 ARG 10 HH11 ARG 10 -5.456 -0.420 -2.224 88 HH12 ARG 10 HH12 ARG 10 -6.571 0.547 -3.127 89 HH21 ARG 10 HH21 ARG 10 -5.614 3.521 -1.613 90 HH22 ARG 10 HH22 ARG 10 -6.658 2.782 -2.777 91 HN1 NH2 11 H1 ARG 10 -0.567 3.849 -3.753 92 HN2 NH2 11 H2 ARG 10 -1.680 4.521 -4.845 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 11.144 -0.370 5.041 2 H2 SER 1 HT2 SER 1 9.892 0.134 4.011 3 H3 SER 1 HT3 SER 1 10.552 -1.431 3.869 4 HA SER 1 HA SER 1 9.639 -2.135 5.897 5 HB2 SER 1 HB2 SER 1 8.083 -0.015 6.822 6 HB3 SER 1 HB1 SER 1 9.581 -0.590 7.539 7 HG SER 1 HG SER 1 9.159 1.520 5.686 8 H ARG 2 HN ARG 2 7.319 -2.627 6.202 9 HA ARG 2 HA ARG 2 5.972 -2.988 3.783 10 HB2 ARG 2 HB2 ARG 2 4.355 -2.822 6.280 11 HB3 ARG 2 HB1 ARG 2 4.326 -4.029 4.998 12 HG2 ARG 2 HG2 ARG 2 6.877 -4.318 6.041 13 HG3 ARG 2 HG1 ARG 2 5.906 -3.970 7.473 14 HD2 ARG 2 HD2 ARG 2 5.530 -6.225 7.397 15 HD3 ARG 2 HD1 ARG 2 4.281 -5.753 6.252 16 HE ARG 2 HE ARG 2 6.950 -6.824 5.550 17 HH11 ARG 2 HH11 ARG 2 7.041 -7.783 3.528 18 HH12 ARG 2 HH12 ARG 2 5.658 -7.758 2.481 19 HH21 ARG 2 HH21 ARG 2 3.688 -5.961 4.694 20 HH22 ARG 2 HH22 ARG 2 3.760 -6.725 3.144 21 H SER 3 HN SER 3 5.870 -0.366 6.050 22 HA SER 3 HA SER 3 3.495 0.885 5.496 23 HB2 SER 3 HB2 SER 3 5.289 2.991 5.727 24 HB3 SER 3 HB1 SER 3 4.457 2.182 7.051 25 HG SER 3 HG SER 3 7.056 1.742 5.999 26 H GLU 4 HN GLU 4 6.533 1.257 3.661 27 HA GLU 4 HA GLU 4 5.346 3.142 1.840 28 HB2 GLU 4 HB2 GLU 4 7.865 1.580 1.331 29 HB3 GLU 4 HB1 GLU 4 7.442 3.195 0.761 30 HG2 GLU 4 HG2 GLU 4 8.852 3.737 2.524 31 HG3 GLU 4 HG1 GLU 4 7.301 3.708 3.364 32 H LEU 5 HN LEU 5 5.978 -0.315 1.819 33 HA LEU 5 HA LEU 5 5.594 -0.860 -0.887 34 HB2 LEU 5 HB2 LEU 5 4.530 -2.723 1.213 35 HB3 LEU 5 HB1 LEU 5 5.389 -3.099 -0.279 36 HG LEU 5 HG LEU 5 6.543 -1.891 2.239 37 HD11 LEU 5 HD11 LEU 5 6.232 -4.373 2.150 38 HD12 LEU 5 HD12 LEU 5 7.916 -3.881 2.280 39 HD13 LEU 5 HD13 LEU 5 7.274 -4.405 0.728 40 HD21 LEU 5 HD21 LEU 5 8.717 -1.984 0.936 41 HD22 LEU 5 HD22 LEU 5 7.595 -0.729 0.416 42 HD23 LEU 5 HD23 LEU 5 7.746 -2.219 -0.516 43 H ILE 6 HN ILE 6 3.143 -0.754 1.714 44 HA ILE 6 HA ILE 6 0.976 -1.345 -0.012 45 HB ILE 6 HB ILE 6 -0.429 -0.286 1.826 46 HG12 ILE 6 HG12 ILE 6 2.335 0.031 3.046 47 HG13 ILE 6 HG11 ILE 6 1.148 1.299 2.754 48 HG21 ILE 6 HG21 ILE 6 1.580 -2.466 2.462 49 HG22 ILE 6 HG22 ILE 6 -0.046 -2.667 1.806 50 HG23 ILE 6 HG23 ILE 6 0.172 -2.108 3.463 51 HD11 ILE 6 HD11 ILE 6 0.514 0.946 4.901 52 HD12 ILE 6 HD12 ILE 6 1.335 -0.612 4.974 53 HD13 ILE 6 HD13 ILE 6 -0.280 -0.501 4.279 54 H VAL 7 HN VAL 7 2.452 1.675 1.072 55 HA VAL 7 HA VAL 7 0.615 3.427 -0.145 56 HB VAL 7 HB VAL 7 3.544 3.769 0.541 57 HG11 VAL 7 HG11 VAL 7 1.498 5.858 -0.276 58 HG12 VAL 7 HG12 VAL 7 2.895 5.359 -1.231 59 HG13 VAL 7 HG13 VAL 7 3.124 6.195 0.305 60 HG21 VAL 7 HG21 VAL 7 1.095 4.927 1.893 61 HG22 VAL 7 HG22 VAL 7 2.746 4.863 2.510 62 HG23 VAL 7 HG23 VAL 7 1.800 3.383 2.374 63 H HIS 8 HN HIS 8 3.566 1.895 -1.295 64 HA HIS 8 HA HIS 8 3.840 3.192 -3.760 65 HB2 HIS 8 HB2 HIS 8 4.622 0.500 -2.718 66 HB3 HIS 8 HB1 HIS 8 4.766 0.807 -4.447 67 HD2 HIS 8 HD2 HIS 8 6.128 3.647 -4.691 68 HE1 HIS 8 HE1 HIS 8 8.752 2.526 -1.578 69 HE2 HIS 8 HE2 HIS 8 8.356 4.209 -3.446 70 H GLN 9 HN GLN 9 1.654 0.649 -2.748 71 HA GLN 9 HA GLN 9 0.735 -0.031 -5.388 72 HB2 GLN 9 HB2 GLN 9 -0.676 -0.437 -2.745 73 HB3 GLN 9 HB1 GLN 9 -1.022 -1.269 -4.257 74 HG2 GLN 9 HG2 GLN 9 0.965 -2.516 -4.171 75 HG3 GLN 9 HG1 GLN 9 1.729 -1.408 -3.041 76 HE21 GLN 9 HE21 GLN 9 1.687 -4.156 -2.453 77 HE22 GLN 9 HE22 GLN 9 0.626 -4.439 -1.159 78 H ARG 10 HN ARG 10 -0.190 2.132 -2.825 79 HA ARG 10 HA ARG 10 -2.624 3.031 -3.989 80 HB2 ARG 10 HB2 ARG 10 -0.820 4.234 -1.885 81 HB3 ARG 10 HB1 ARG 10 -2.425 4.832 -2.279 82 HG2 ARG 10 HG2 ARG 10 -1.870 1.993 -1.386 83 HG3 ARG 10 HG1 ARG 10 -2.339 3.281 -0.279 84 HD2 ARG 10 HD2 ARG 10 -4.510 3.268 -0.969 85 HD3 ARG 10 HD1 ARG 10 -4.072 2.987 -2.655 86 HE ARG 10 HE ARG 10 -3.821 0.791 -0.697 87 HH11 ARG 10 HH11 ARG 10 -4.773 -1.151 -1.376 88 HH12 ARG 10 HH12 ARG 10 -5.751 -1.183 -2.809 89 HH21 ARG 10 HH21 ARG 10 -5.306 2.204 -3.489 90 HH22 ARG 10 HH22 ARG 10 -6.047 0.735 -4.017 91 HN1 NH2 11 H1 ARG 10 0.603 4.632 -3.679 92 HN2 NH2 11 H2 ARG 10 0.395 5.638 -5.036 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 10.874 -0.893 3.748 2 H2 SER 1 HT2 SER 1 10.112 0.632 3.671 3 H3 SER 1 HT3 SER 1 9.349 -0.749 3.037 4 HA SER 1 HA SER 1 9.891 -1.396 5.642 5 HB2 SER 1 HB2 SER 1 8.423 1.222 5.672 6 HB3 SER 1 HB1 SER 1 9.259 0.403 6.981 7 HG SER 1 HG SER 1 10.299 1.940 4.842 8 H ARG 2 HN ARG 2 7.674 -1.448 6.838 9 HA ARG 2 HA ARG 2 5.887 -2.996 5.383 10 HB2 ARG 2 HB2 ARG 2 4.367 -2.719 7.286 11 HB3 ARG 2 HB1 ARG 2 6.023 -2.987 7.834 12 HG2 ARG 2 HG2 ARG 2 6.157 -0.347 7.785 13 HG3 ARG 2 HG1 ARG 2 4.401 -0.454 7.876 14 HD2 ARG 2 HD2 ARG 2 5.202 -0.309 10.130 15 HD3 ARG 2 HD1 ARG 2 4.684 -1.971 9.878 16 HE ARG 2 HE ARG 2 7.487 -1.034 10.027 17 HH11 ARG 2 HH11 ARG 2 8.952 -2.665 10.593 18 HH12 ARG 2 HH12 ARG 2 8.419 -4.306 10.719 19 HH21 ARG 2 HH21 ARG 2 5.130 -3.582 9.884 20 HH22 ARG 2 HH22 ARG 2 6.254 -4.825 10.313 21 H SER 3 HN SER 3 5.983 0.455 5.787 22 HA SER 3 HA SER 3 3.303 0.940 4.879 23 HB2 SER 3 HB2 SER 3 4.417 3.342 4.676 24 HB3 SER 3 HB1 SER 3 4.033 2.639 6.251 25 HG SER 3 HG SER 3 6.539 2.573 4.876 26 H GLU 4 HN GLU 4 6.505 0.975 3.377 27 HA GLU 4 HA GLU 4 5.931 2.358 1.045 28 HB2 GLU 4 HB2 GLU 4 7.897 0.185 1.692 29 HB3 GLU 4 HB1 GLU 4 7.787 0.846 0.062 30 HG2 GLU 4 HG2 GLU 4 9.359 2.278 0.998 31 HG3 GLU 4 HG1 GLU 4 7.873 3.167 1.323 32 H LEU 5 HN LEU 5 5.859 -1.193 1.424 33 HA LEU 5 HA LEU 5 5.019 -1.792 -1.154 34 HB2 LEU 5 HB2 LEU 5 3.803 -3.488 0.939 35 HB3 LEU 5 HB1 LEU 5 4.831 -3.930 -0.423 36 HG LEU 5 HG LEU 5 6.690 -2.665 1.005 37 HD11 LEU 5 HD11 LEU 5 5.456 -1.903 2.861 38 HD12 LEU 5 HD12 LEU 5 6.193 -3.384 3.463 39 HD13 LEU 5 HD13 LEU 5 4.505 -3.379 2.954 40 HD21 LEU 5 HD21 LEU 5 6.838 -5.014 0.352 41 HD22 LEU 5 HD22 LEU 5 5.664 -5.462 1.593 42 HD23 LEU 5 HD23 LEU 5 7.252 -4.856 2.058 43 H ILE 6 HN ILE 6 2.969 -1.110 1.687 44 HA ILE 6 HA ILE 6 0.572 -1.500 0.199 45 HB ILE 6 HB ILE 6 -0.530 -0.416 2.188 46 HG12 ILE 6 HG12 ILE 6 2.364 -0.233 3.079 47 HG13 ILE 6 HG11 ILE 6 1.221 1.095 2.906 48 HG21 ILE 6 HG21 ILE 6 0.250 -2.919 1.933 49 HG22 ILE 6 HG22 ILE 6 -0.305 -2.333 3.499 50 HG23 ILE 6 HG23 ILE 6 1.423 -2.480 3.177 51 HD11 ILE 6 HD11 ILE 6 1.313 -1.060 4.993 52 HD12 ILE 6 HD12 ILE 6 -0.215 -0.256 4.621 53 HD13 ILE 6 HD13 ILE 6 1.156 0.685 5.203 54 H VAL 7 HN VAL 7 2.316 1.392 1.323 55 HA VAL 7 HA VAL 7 0.470 3.204 0.148 56 HB VAL 7 HB VAL 7 2.022 3.609 2.125 57 HG11 VAL 7 HG11 VAL 7 4.242 4.226 1.746 58 HG12 VAL 7 HG12 VAL 7 3.961 4.584 0.048 59 HG13 VAL 7 HG13 VAL 7 4.035 2.912 0.590 60 HG21 VAL 7 HG21 VAL 7 1.965 5.972 1.736 61 HG22 VAL 7 HG22 VAL 7 0.587 5.319 0.849 62 HG23 VAL 7 HG23 VAL 7 2.062 5.760 -0.012 63 H HIS 8 HN HIS 8 3.584 1.949 -1.022 64 HA HIS 8 HA HIS 8 3.996 3.855 -2.994 65 HB2 HIS 8 HB2 HIS 8 5.686 2.547 -3.857 66 HB3 HIS 8 HB1 HIS 8 5.564 1.958 -2.209 67 HD2 HIS 8 HD2 HIS 8 5.682 0.520 -5.685 68 HE1 HIS 8 HE1 HIS 8 3.935 -2.457 -3.258 69 HE2 HIS 8 HE2 HIS 8 5.039 -2.005 -5.501 70 H GLN 9 HN GLN 9 2.162 0.784 -3.439 71 HA GLN 9 HA GLN 9 1.504 1.533 -6.149 72 HB2 GLN 9 HB2 GLN 9 -0.205 -0.434 -4.725 73 HB3 GLN 9 HB1 GLN 9 0.475 -0.494 -6.350 74 HG2 GLN 9 HG2 GLN 9 2.743 -0.795 -5.279 75 HG3 GLN 9 HG1 GLN 9 1.909 -1.010 -3.737 76 HE21 GLN 9 HE21 GLN 9 1.216 -2.212 -7.077 77 HE22 GLN 9 HE22 GLN 9 1.095 -3.837 -6.604 78 H ARG 10 HN ARG 10 -0.091 1.630 -3.052 79 HA ARG 10 HA ARG 10 -2.607 2.549 -4.015 80 HB2 ARG 10 HB2 ARG 10 -1.310 2.367 -1.309 81 HB3 ARG 10 HB1 ARG 10 -2.884 3.132 -1.511 82 HG2 ARG 10 HG2 ARG 10 -2.942 0.648 -0.932 83 HG3 ARG 10 HG1 ARG 10 -3.865 1.117 -2.356 84 HD2 ARG 10 HD2 ARG 10 -2.141 0.330 -3.840 85 HD3 ARG 10 HD1 ARG 10 -1.017 0.090 -2.509 86 HE ARG 10 HE ARG 10 -2.629 -1.694 -1.732 87 HH11 ARG 10 HH11 ARG 10 -3.247 -3.717 -2.583 88 HH12 ARG 10 HH12 ARG 10 -3.402 -3.924 -4.297 89 HH21 ARG 10 HH21 ARG 10 -2.538 -0.659 -5.052 90 HH22 ARG 10 HH22 ARG 10 -2.976 -2.204 -5.690 91 HN1 NH2 11 H1 ARG 10 0.261 4.276 -2.757 92 HN2 NH2 11 H2 ARG 10 -0.339 5.820 -3.125 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 10.025 -0.384 5.994 2 H2 SER 1 HT2 SER 1 11.005 -1.534 5.229 3 H3 SER 1 HT3 SER 1 9.661 -2.034 6.137 4 HA SER 1 HA SER 1 9.139 -0.183 3.965 5 HB2 SER 1 HB2 SER 1 9.871 -3.095 3.513 6 HB3 SER 1 HB1 SER 1 9.201 -2.009 2.299 7 HG SER 1 HG SER 1 11.032 -0.733 2.444 8 H ARG 2 HN ARG 2 7.837 -0.898 6.442 9 HA ARG 2 HA ARG 2 5.834 -2.887 5.952 10 HB2 ARG 2 HB2 ARG 2 5.941 -0.634 7.972 11 HB3 ARG 2 HB1 ARG 2 4.755 -1.940 7.978 12 HG2 ARG 2 HG2 ARG 2 7.341 -3.138 7.759 13 HG3 ARG 2 HG1 ARG 2 7.417 -1.954 9.064 14 HD2 ARG 2 HD2 ARG 2 5.436 -4.228 8.772 15 HD3 ARG 2 HD1 ARG 2 6.691 -4.067 10.000 16 HE ARG 2 HE ARG 2 5.145 -1.808 10.302 17 HH11 ARG 2 HH11 ARG 2 3.345 -1.728 11.695 18 HH12 ARG 2 HH12 ARG 2 2.525 -3.187 12.132 19 HH21 ARG 2 HH21 ARG 2 4.619 -5.235 10.265 20 HH22 ARG 2 HH22 ARG 2 3.246 -5.177 11.322 21 H SER 3 HN SER 3 5.821 0.634 5.989 22 HA SER 3 HA SER 3 3.127 0.788 4.942 23 HB2 SER 3 HB2 SER 3 4.281 3.316 4.775 24 HB3 SER 3 HB1 SER 3 3.300 2.699 6.099 25 HG SER 3 HG SER 3 5.484 3.504 6.633 26 H GLU 4 HN GLU 4 6.392 1.063 3.683 27 HA GLU 4 HA GLU 4 6.110 2.500 1.390 28 HB2 GLU 4 HB2 GLU 4 7.710 -0.024 1.813 29 HB3 GLU 4 HB1 GLU 4 7.882 1.019 0.401 30 HG2 GLU 4 HG2 GLU 4 8.319 2.938 1.992 31 HG3 GLU 4 HG1 GLU 4 8.399 1.751 3.293 32 H LEU 5 HN LEU 5 5.806 -1.059 1.364 33 HA LEU 5 HA LEU 5 4.864 -1.236 -1.254 34 HB2 LEU 5 HB2 LEU 5 3.585 -3.301 0.213 35 HB3 LEU 5 HB1 LEU 5 5.040 -3.405 -0.772 36 HG LEU 5 HG LEU 5 6.370 -2.631 1.225 37 HD11 LEU 5 HD11 LEU 5 3.609 -2.628 2.361 38 HD12 LEU 5 HD12 LEU 5 4.977 -1.589 2.745 39 HD13 LEU 5 HD13 LEU 5 4.900 -3.220 3.404 40 HD21 LEU 5 HD21 LEU 5 4.730 -5.169 1.292 41 HD22 LEU 5 HD22 LEU 5 5.974 -4.838 2.495 42 HD23 LEU 5 HD23 LEU 5 6.409 -4.961 0.794 43 H ILE 6 HN ILE 6 3.050 -0.826 1.765 44 HA ILE 6 HA ILE 6 0.492 -1.123 0.622 45 HB ILE 6 HB ILE 6 1.135 0.730 2.926 46 HG12 ILE 6 HG12 ILE 6 2.310 -1.463 3.232 47 HG13 ILE 6 HG11 ILE 6 1.041 -1.195 4.417 48 HG21 ILE 6 HG21 ILE 6 -1.258 -1.009 2.230 49 HG22 ILE 6 HG22 ILE 6 -1.188 0.754 2.182 50 HG23 ILE 6 HG23 ILE 6 -1.081 -0.089 3.725 51 HD11 ILE 6 HD11 ILE 6 0.810 -3.451 3.666 52 HD12 ILE 6 HD12 ILE 6 0.927 -2.972 1.974 53 HD13 ILE 6 HD13 ILE 6 -0.501 -2.542 2.917 54 H VAL 7 HN VAL 7 2.346 1.847 1.338 55 HA VAL 7 HA VAL 7 0.447 3.518 -0.006 56 HB VAL 7 HB VAL 7 3.254 4.296 0.752 57 HG11 VAL 7 HG11 VAL 7 1.992 5.918 -0.629 58 HG12 VAL 7 HG12 VAL 7 2.208 6.524 1.013 59 HG13 VAL 7 HG13 VAL 7 0.654 5.853 0.518 60 HG21 VAL 7 HG21 VAL 7 0.743 4.132 2.436 61 HG22 VAL 7 HG22 VAL 7 2.173 5.052 2.906 62 HG23 VAL 7 HG23 VAL 7 2.267 3.304 2.723 63 H HIS 8 HN HIS 8 3.558 2.135 -0.907 64 HA HIS 8 HA HIS 8 4.141 3.647 -3.148 65 HB2 HIS 8 HB2 HIS 8 4.749 0.817 -2.399 66 HB3 HIS 8 HB1 HIS 8 5.131 1.359 -4.030 67 HD2 HIS 8 HD2 HIS 8 5.644 3.586 -0.780 68 HE1 HIS 8 HE1 HIS 8 9.397 2.947 -2.616 69 HE2 HIS 8 HE2 HIS 8 8.201 4.134 -0.712 70 H GLN 9 HN GLN 9 2.333 0.558 -3.168 71 HA GLN 9 HA GLN 9 1.685 0.861 -5.941 72 HB2 GLN 9 HB2 GLN 9 0.431 -0.987 -3.907 73 HB3 GLN 9 HB1 GLN 9 0.312 -1.126 -5.658 74 HG2 GLN 9 HG2 GLN 9 2.989 -1.051 -5.460 75 HG3 GLN 9 HG1 GLN 9 2.632 -1.713 -3.864 76 HE21 GLN 9 HE21 GLN 9 1.272 -2.261 -7.177 77 HE22 GLN 9 HE22 GLN 9 1.376 -3.951 -7.088 78 H ARG 10 HN ARG 10 0.077 1.633 -2.953 79 HA ARG 10 HA ARG 10 -2.496 2.136 -4.081 80 HB2 ARG 10 HB2 ARG 10 -1.168 2.483 -1.484 81 HB3 ARG 10 HB1 ARG 10 -2.352 3.728 -1.840 82 HG2 ARG 10 HG2 ARG 10 -3.283 1.707 -0.641 83 HG3 ARG 10 HG1 ARG 10 -4.103 2.112 -2.149 84 HD2 ARG 10 HD2 ARG 10 -3.615 -0.349 -1.870 85 HD3 ARG 10 HD1 ARG 10 -2.947 0.354 -3.337 86 HE ARG 10 HE ARG 10 -0.942 0.542 -1.399 87 HH11 ARG 10 HH11 ARG 10 0.724 -1.024 -1.348 88 HH12 ARG 10 HH12 ARG 10 0.417 -2.620 -1.958 89 HH21 ARG 10 HH21 ARG 10 -2.844 -1.942 -2.925 90 HH22 ARG 10 HH22 ARG 10 -1.586 -3.134 -2.858 91 HN1 NH2 11 H1 ARG 10 0.296 4.283 -3.320 92 HN2 NH2 11 H2 ARG 10 -0.270 5.576 -4.270 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 9.656 -0.643 3.246 2 H2 SER 1 HT2 SER 1 10.959 -1.649 3.662 3 H3 SER 1 HT3 SER 1 10.824 -0.105 4.353 4 HA SER 1 HA SER 1 9.925 -2.450 5.430 5 HB2 SER 1 HB2 SER 1 8.529 -0.153 6.499 6 HB3 SER 1 HB1 SER 1 9.847 -1.075 7.209 7 HG SER 1 HG SER 1 10.012 1.097 5.363 8 H ARG 2 HN ARG 2 7.558 -2.521 6.418 9 HA ARG 2 HA ARG 2 5.802 -3.175 4.332 10 HB2 ARG 2 HB2 ARG 2 5.867 -3.532 7.086 11 HB3 ARG 2 HB1 ARG 2 4.454 -2.510 6.831 12 HG2 ARG 2 HG2 ARG 2 4.194 -4.374 4.810 13 HG3 ARG 2 HG1 ARG 2 4.872 -5.339 6.120 14 HD2 ARG 2 HD2 ARG 2 2.327 -3.716 6.113 15 HD3 ARG 2 HD1 ARG 2 2.521 -5.431 6.445 16 HE ARG 2 HE ARG 2 3.091 -3.216 8.280 17 HH11 ARG 2 HH11 ARG 2 3.293 -3.843 10.445 18 HH12 ARG 2 HH12 ARG 2 3.404 -5.523 10.861 19 HH21 ARG 2 HH21 ARG 2 3.166 -6.618 7.572 20 HH22 ARG 2 HH22 ARG 2 3.319 -7.093 9.230 21 H SER 3 HN SER 3 6.163 -0.273 6.238 22 HA SER 3 HA SER 3 3.786 1.037 5.631 23 HB2 SER 3 HB2 SER 3 5.787 3.015 5.804 24 HB3 SER 3 HB1 SER 3 4.733 2.430 7.092 25 HG SER 3 HG SER 3 7.230 2.242 7.176 26 H GLU 4 HN GLU 4 6.720 0.753 3.680 27 HA GLU 4 HA GLU 4 5.876 2.828 1.846 28 HB2 GLU 4 HB2 GLU 4 8.055 0.749 1.551 29 HB3 GLU 4 HB1 GLU 4 7.842 2.180 0.544 30 HG2 GLU 4 HG2 GLU 4 9.281 3.151 2.019 31 HG3 GLU 4 HG1 GLU 4 7.847 3.304 3.031 32 H LEU 5 HN LEU 5 5.429 -0.567 2.164 33 HA LEU 5 HA LEU 5 4.941 -1.194 -0.545 34 HB2 LEU 5 HB2 LEU 5 3.718 -2.650 1.783 35 HB3 LEU 5 HB1 LEU 5 4.191 -3.295 0.213 36 HG LEU 5 HG LEU 5 6.067 -2.220 2.339 37 HD11 LEU 5 HD11 LEU 5 6.054 -5.019 1.263 38 HD12 LEU 5 HD12 LEU 5 4.906 -4.572 2.521 39 HD13 LEU 5 HD13 LEU 5 6.634 -4.427 2.819 40 HD21 LEU 5 HD21 LEU 5 7.789 -3.288 0.712 41 HD22 LEU 5 HD22 LEU 5 7.115 -1.712 0.282 42 HD23 LEU 5 HD23 LEU 5 6.498 -3.177 -0.491 43 H ILE 6 HN ILE 6 2.797 -0.079 2.043 44 HA ILE 6 HA ILE 6 0.425 -0.560 0.561 45 HB ILE 6 HB ILE 6 -0.691 0.837 2.257 46 HG12 ILE 6 HG12 ILE 6 2.175 1.408 3.034 47 HG13 ILE 6 HG11 ILE 6 0.884 2.559 2.702 48 HG21 ILE 6 HG21 ILE 6 0.374 -1.635 2.578 49 HG22 ILE 6 HG22 ILE 6 -0.553 -0.826 3.837 50 HG23 ILE 6 HG23 ILE 6 1.205 -0.785 3.878 51 HD11 ILE 6 HD11 ILE 6 0.947 2.567 5.045 52 HD12 ILE 6 HD12 ILE 6 1.294 0.839 5.134 53 HD13 ILE 6 HD13 ILE 6 -0.328 1.387 4.710 54 H VAL 7 HN VAL 7 2.340 2.385 1.093 55 HA VAL 7 HA VAL 7 0.601 4.080 -0.346 56 HB VAL 7 HB VAL 7 2.894 5.456 -0.413 57 HG11 VAL 7 HG11 VAL 7 0.945 6.229 0.762 58 HG12 VAL 7 HG12 VAL 7 2.267 6.217 1.923 59 HG13 VAL 7 HG13 VAL 7 1.070 4.926 1.948 60 HG21 VAL 7 HG21 VAL 7 4.472 4.789 1.161 61 HG22 VAL 7 HG22 VAL 7 3.937 3.214 0.582 62 HG23 VAL 7 HG23 VAL 7 3.301 3.864 2.090 63 H HIS 8 HN HIS 8 3.414 2.226 -1.426 64 HA HIS 8 HA HIS 8 3.706 3.680 -3.846 65 HB2 HIS 8 HB2 HIS 8 5.405 2.244 -4.395 66 HB3 HIS 8 HB1 HIS 8 5.353 2.032 -2.652 67 HD2 HIS 8 HD2 HIS 8 4.735 -0.034 -5.894 68 HE1 HIS 8 HE1 HIS 8 3.899 -2.549 -2.610 69 HE2 HIS 8 HE2 HIS 8 4.237 -2.483 -5.127 70 H GLN 9 HN GLN 9 2.166 0.464 -3.323 71 HA GLN 9 HA GLN 9 1.325 0.309 -6.047 72 HB2 GLN 9 HB2 GLN 9 -0.311 -1.472 -5.042 73 HB3 GLN 9 HB1 GLN 9 1.422 -1.790 -5.080 74 HG2 GLN 9 HG2 GLN 9 1.663 -1.144 -2.783 75 HG3 GLN 9 HG1 GLN 9 -0.008 -0.580 -2.705 76 HE21 GLN 9 HE21 GLN 9 1.856 -3.577 -3.449 77 HE22 GLN 9 HE22 GLN 9 0.710 -4.626 -2.768 78 H ARG 10 HN ARG 10 -0.194 1.508 -3.137 79 HA ARG 10 HA ARG 10 -2.778 1.829 -4.338 80 HB2 ARG 10 HB2 ARG 10 -1.937 1.833 -1.762 81 HB3 ARG 10 HB1 ARG 10 -2.059 3.568 -2.047 82 HG2 ARG 10 HG2 ARG 10 -4.212 2.881 -1.261 83 HG3 ARG 10 HG1 ARG 10 -4.388 3.115 -2.998 84 HD2 ARG 10 HD2 ARG 10 -3.907 0.608 -3.238 85 HD3 ARG 10 HD1 ARG 10 -4.125 0.502 -1.494 86 HE ARG 10 HE ARG 10 -6.203 0.874 -3.479 87 HH11 ARG 10 HH11 ARG 10 -8.312 0.882 -2.673 88 HH12 ARG 10 HH12 ARG 10 -8.598 1.131 -0.979 89 HH21 ARG 10 HH21 ARG 10 -5.221 1.408 -0.198 90 HH22 ARG 10 HH22 ARG 10 -6.832 1.448 0.427 91 HN1 NH2 11 H1 ARG 10 -3.764 4.104 -4.579 92 HN2 NH2 11 H2 ARG 10 -2.773 5.301 -5.261 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 9.064 -3.028 6.209 2 H2 SER 1 HT2 SER 1 10.541 -2.203 6.134 3 H3 SER 1 HT3 SER 1 10.222 -3.471 5.053 4 HA SER 1 HA SER 1 9.401 -0.708 4.954 5 HB2 SER 1 HB2 SER 1 9.143 -2.080 2.494 6 HB3 SER 1 HB1 SER 1 10.482 -1.054 3.010 7 HG SER 1 HG SER 1 11.618 -2.820 3.064 8 H ARG 2 HN ARG 2 7.533 -1.883 6.502 9 HA ARG 2 HA ARG 2 5.397 -3.117 5.089 10 HB2 ARG 2 HB2 ARG 2 5.098 -1.617 7.685 11 HB3 ARG 2 HB1 ARG 2 4.203 -3.027 7.125 12 HG2 ARG 2 HG2 ARG 2 6.467 -4.264 7.154 13 HG3 ARG 2 HG1 ARG 2 7.067 -2.899 8.097 14 HD2 ARG 2 HD2 ARG 2 4.688 -4.631 8.824 15 HD3 ARG 2 HD1 ARG 2 6.285 -4.723 9.565 16 HE ARG 2 HE ARG 2 5.721 -2.168 10.037 17 HH11 ARG 2 HH11 ARG 2 4.370 -1.311 11.657 18 HH12 ARG 2 HH12 ARG 2 3.058 -2.259 12.280 19 HH21 ARG 2 HH21 ARG 2 3.729 -5.002 10.259 20 HH22 ARG 2 HH22 ARG 2 2.698 -4.352 11.487 21 H SER 3 HN SER 3 6.231 0.193 5.763 22 HA SER 3 HA SER 3 3.631 1.257 5.152 23 HB2 SER 3 HB2 SER 3 6.068 2.969 5.090 24 HB3 SER 3 HB1 SER 3 4.483 3.283 5.793 25 HG SER 3 HG SER 3 5.047 2.237 7.571 26 H GLU 4 HN GLU 4 6.726 1.149 3.360 27 HA GLU 4 HA GLU 4 5.993 2.777 1.221 28 HB2 GLU 4 HB2 GLU 4 7.594 0.904 0.009 29 HB3 GLU 4 HB1 GLU 4 8.159 2.325 0.881 30 HG2 GLU 4 HG2 GLU 4 7.562 -0.214 2.378 31 HG3 GLU 4 HG1 GLU 4 9.098 -0.023 1.536 32 H LEU 5 HN LEU 5 5.591 -0.733 1.498 33 HA LEU 5 HA LEU 5 4.617 -1.215 -1.061 34 HB2 LEU 5 HB2 LEU 5 3.245 -2.800 0.984 35 HB3 LEU 5 HB1 LEU 5 4.310 -3.319 -0.323 36 HG LEU 5 HG LEU 5 5.250 -2.092 2.291 37 HD11 LEU 5 HD11 LEU 5 6.097 -4.399 2.727 38 HD12 LEU 5 HD12 LEU 5 5.189 -4.949 1.320 39 HD13 LEU 5 HD13 LEU 5 4.335 -4.278 2.708 40 HD21 LEU 5 HD21 LEU 5 7.368 -3.425 1.139 41 HD22 LEU 5 HD22 LEU 5 7.099 -1.689 1.012 42 HD23 LEU 5 HD23 LEU 5 6.552 -2.757 -0.277 43 H ILE 6 HN ILE 6 2.721 -0.406 1.863 44 HA ILE 6 HA ILE 6 0.235 -0.523 0.529 45 HB ILE 6 HB ILE 6 0.408 1.363 2.787 46 HG12 ILE 6 HG12 ILE 6 2.223 -0.223 3.384 47 HG13 ILE 6 HG11 ILE 6 0.833 -0.390 4.453 48 HG21 ILE 6 HG21 ILE 6 -1.243 -1.024 1.981 49 HG22 ILE 6 HG22 ILE 6 -1.745 0.655 2.170 50 HG23 ILE 6 HG23 ILE 6 -1.376 -0.321 3.589 51 HD11 ILE 6 HD11 ILE 6 2.044 -2.434 2.914 52 HD12 ILE 6 HD12 ILE 6 0.488 -2.104 2.155 53 HD13 ILE 6 HD13 ILE 6 0.558 -2.541 3.856 54 H VAL 7 HN VAL 7 2.320 2.275 1.323 55 HA VAL 7 HA VAL 7 0.562 4.141 0.115 56 HB VAL 7 HB VAL 7 2.430 5.720 0.406 57 HG11 VAL 7 HG11 VAL 7 0.853 4.829 2.288 58 HG12 VAL 7 HG12 VAL 7 2.277 5.757 2.747 59 HG13 VAL 7 HG13 VAL 7 2.298 4.001 2.868 60 HG21 VAL 7 HG21 VAL 7 4.485 4.754 0.153 61 HG22 VAL 7 HG22 VAL 7 3.918 3.184 0.709 62 HG23 VAL 7 HG23 VAL 7 4.321 4.431 1.879 63 H HIS 8 HN HIS 8 3.530 2.572 -1.009 64 HA HIS 8 HA HIS 8 3.547 4.049 -3.471 65 HB2 HIS 8 HB2 HIS 8 5.107 1.595 -2.648 66 HB3 HIS 8 HB1 HIS 8 5.391 2.536 -4.109 67 HD2 HIS 8 HD2 HIS 8 7.594 2.451 -1.516 68 HE1 HIS 8 HE1 HIS 8 6.516 6.514 -1.142 69 HE2 HIS 8 HE2 HIS 8 8.230 4.761 -0.474 70 H GLN 9 HN GLN 9 2.517 0.732 -2.641 71 HA GLN 9 HA GLN 9 2.073 0.027 -5.379 72 HB2 GLN 9 HB2 GLN 9 0.879 -1.238 -2.905 73 HB3 GLN 9 HB1 GLN 9 0.985 -1.959 -4.510 74 HG2 GLN 9 HG2 GLN 9 3.582 -0.998 -3.547 75 HG3 GLN 9 HG1 GLN 9 2.881 -2.225 -2.496 76 HE21 GLN 9 HE21 GLN 9 2.943 -1.767 -6.081 77 HE22 GLN 9 HE22 GLN 9 3.464 -3.352 -6.407 78 H ARG 10 HN ARG 10 0.224 1.604 -2.922 79 HA ARG 10 HA ARG 10 -2.345 1.274 -4.127 80 HB2 ARG 10 HB2 ARG 10 -1.192 2.987 -1.972 81 HB3 ARG 10 HB1 ARG 10 -2.743 3.447 -2.665 82 HG2 ARG 10 HG2 ARG 10 -2.493 0.571 -2.021 83 HG3 ARG 10 HG1 ARG 10 -2.448 1.641 -0.622 84 HD2 ARG 10 HD2 ARG 10 -4.751 0.811 -1.369 85 HD3 ARG 10 HD1 ARG 10 -4.584 2.541 -1.097 86 HE ARG 10 HE ARG 10 -4.069 2.316 -3.752 87 HH11 ARG 10 HH11 ARG 10 -5.666 2.314 -5.379 88 HH12 ARG 10 HH12 ARG 10 -7.276 1.798 -5.009 89 HH21 ARG 10 HH21 ARG 10 -6.574 1.102 -1.677 90 HH22 ARG 10 HH22 ARG 10 -7.792 1.110 -2.909 91 HN1 NH2 11 H1 ARG 10 0.343 3.427 -4.801 92 HN2 NH2 11 H2 ARG 10 -0.482 4.430 -5.899 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 10.441 -1.215 4.420 2 H2 SER 1 HT2 SER 1 10.660 -0.393 5.884 3 H3 SER 1 HT3 SER 1 9.505 0.161 4.769 4 HA SER 1 HA SER 1 9.368 -2.492 6.073 5 HB2 SER 1 HB2 SER 1 9.238 -0.548 7.693 6 HB3 SER 1 HB1 SER 1 7.847 0.037 6.789 7 HG SER 1 HG SER 1 6.943 -1.206 8.311 8 H ARG 2 HN ARG 2 6.643 -2.515 6.268 9 HA ARG 2 HA ARG 2 5.827 -2.997 3.562 10 HB2 ARG 2 HB2 ARG 2 3.558 -3.405 4.645 11 HB3 ARG 2 HB1 ARG 2 4.873 -4.433 5.218 12 HG2 ARG 2 HG2 ARG 2 5.044 -2.244 6.907 13 HG3 ARG 2 HG1 ARG 2 3.307 -2.412 6.673 14 HD2 ARG 2 HD2 ARG 2 5.218 -4.571 7.610 15 HD3 ARG 2 HD1 ARG 2 3.985 -3.768 8.579 16 HE ARG 2 HE ARG 2 2.647 -4.883 6.414 17 HH11 ARG 2 HH11 ARG 2 1.621 -6.904 6.617 18 HH12 ARG 2 HH12 ARG 2 2.167 -8.031 7.813 19 HH21 ARG 2 HH21 ARG 2 4.681 -5.960 9.010 20 HH22 ARG 2 HH22 ARG 2 3.906 -7.502 9.159 21 H SER 3 HN SER 3 5.556 -0.431 5.836 22 HA SER 3 HA SER 3 3.410 1.056 5.052 23 HB2 SER 3 HB2 SER 3 5.854 2.623 5.526 24 HB3 SER 3 HB1 SER 3 4.316 2.636 6.389 25 HG SER 3 HG SER 3 5.784 1.732 7.765 26 H GLU 4 HN GLU 4 6.674 1.225 3.564 27 HA GLU 4 HA GLU 4 5.908 3.241 1.699 28 HB2 GLU 4 HB2 GLU 4 7.985 2.015 0.439 29 HB3 GLU 4 HB1 GLU 4 8.177 3.223 1.706 30 HG2 GLU 4 HG2 GLU 4 7.891 0.312 2.399 31 HG3 GLU 4 HG1 GLU 4 9.454 0.967 1.926 32 H LEU 5 HN LEU 5 6.125 -0.257 1.535 33 HA LEU 5 HA LEU 5 5.564 -0.629 -1.173 34 HB2 LEU 5 HB2 LEU 5 4.412 -2.571 0.773 35 HB3 LEU 5 HB1 LEU 5 5.356 -2.863 -0.687 36 HG LEU 5 HG LEU 5 6.419 -1.836 1.966 37 HD11 LEU 5 HD11 LEU 5 5.850 -4.341 1.597 38 HD12 LEU 5 HD12 LEU 5 7.452 -3.933 2.217 39 HD13 LEU 5 HD13 LEU 5 7.236 -4.343 0.514 40 HD21 LEU 5 HD21 LEU 5 7.966 -0.835 0.626 41 HD22 LEU 5 HD22 LEU 5 7.503 -1.790 -0.782 42 HD23 LEU 5 HD23 LEU 5 8.590 -2.474 0.422 43 H ILE 6 HN ILE 6 3.268 -0.520 1.582 44 HA ILE 6 HA ILE 6 0.984 -0.915 -0.029 45 HB ILE 6 HB ILE 6 -0.292 0.076 1.883 46 HG12 ILE 6 HG12 ILE 6 2.511 0.482 2.974 47 HG13 ILE 6 HG11 ILE 6 1.300 1.728 2.679 48 HG21 ILE 6 HG21 ILE 6 0.100 -1.788 3.311 49 HG22 ILE 6 HG22 ILE 6 1.802 -1.872 2.857 50 HG23 ILE 6 HG23 ILE 6 0.561 -2.349 1.701 51 HD11 ILE 6 HD11 ILE 6 0.963 1.406 4.943 52 HD12 ILE 6 HD12 ILE 6 1.460 -0.285 4.878 53 HD13 ILE 6 HD13 ILE 6 -0.143 0.184 4.314 54 H VAL 7 HN VAL 7 2.605 2.053 1.085 55 HA VAL 7 HA VAL 7 0.781 3.872 -0.038 56 HB VAL 7 HB VAL 7 3.772 4.174 0.352 57 HG11 VAL 7 HG11 VAL 7 3.360 6.035 -0.927 58 HG12 VAL 7 HG12 VAL 7 2.750 6.665 0.602 59 HG13 VAL 7 HG13 VAL 7 1.629 6.010 -0.589 60 HG21 VAL 7 HG21 VAL 7 1.615 5.316 2.111 61 HG22 VAL 7 HG22 VAL 7 3.300 4.977 2.502 62 HG23 VAL 7 HG23 VAL 7 2.147 3.653 2.347 63 H HIS 8 HN HIS 8 3.592 2.238 -1.365 64 HA HIS 8 HA HIS 8 3.564 3.519 -3.902 65 HB2 HIS 8 HB2 HIS 8 5.538 2.421 -3.847 66 HB3 HIS 8 HB1 HIS 8 4.961 1.274 -2.642 67 HD2 HIS 8 HD2 HIS 8 5.008 -1.240 -3.744 68 HE1 HIS 8 HE1 HIS 8 4.014 -0.197 -7.710 69 HE2 HIS 8 HE2 HIS 8 4.598 -2.129 -6.165 70 H GLN 9 HN GLN 9 2.216 0.455 -2.723 71 HA GLN 9 HA GLN 9 0.977 -0.361 -5.118 72 HB2 GLN 9 HB2 GLN 9 0.215 -0.884 -2.230 73 HB3 GLN 9 HB1 GLN 9 -0.491 -1.719 -3.612 74 HG2 GLN 9 HG2 GLN 9 2.395 -1.787 -3.804 75 HG3 GLN 9 HG1 GLN 9 1.883 -2.395 -2.230 76 HE21 GLN 9 HE21 GLN 9 2.100 -4.638 -2.562 77 HE22 GLN 9 HE22 GLN 9 1.254 -5.491 -3.761 78 H ARG 10 HN ARG 10 -0.012 1.742 -2.500 79 HA ARG 10 HA ARG 10 -2.710 2.105 -3.228 80 HB2 ARG 10 HB2 ARG 10 -0.729 3.466 -1.529 81 HB3 ARG 10 HB1 ARG 10 -1.949 4.550 -2.187 82 HG2 ARG 10 HG2 ARG 10 -2.500 1.987 -0.654 83 HG3 ARG 10 HG1 ARG 10 -2.655 3.621 -0.015 84 HD2 ARG 10 HD2 ARG 10 -4.432 2.143 -1.896 85 HD3 ARG 10 HD1 ARG 10 -4.847 3.293 -0.623 86 HE ARG 10 HE ARG 10 -3.507 4.667 -2.701 87 HH11 ARG 10 HH11 ARG 10 -4.700 5.826 -4.210 88 HH12 ARG 10 HH12 ARG 10 -6.390 5.499 -4.424 89 HH21 ARG 10 HH21 ARG 10 -6.492 3.019 -2.002 90 HH22 ARG 10 HH22 ARG 10 -7.404 3.906 -3.173 91 HN1 NH2 11 H1 ARG 10 0.163 3.116 -4.842 92 HN2 NH2 11 H2 ARG 10 -0.569 4.219 -5.903 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 10.840 -2.282 5.822 2 H2 SER 1 HT2 SER 1 9.567 -3.082 5.031 3 H3 SER 1 HT3 SER 1 9.467 -2.744 6.687 4 HA SER 1 HA SER 1 9.038 -0.537 6.375 5 HB2 SER 1 HB2 SER 1 9.834 -0.519 3.498 6 HB3 SER 1 HB1 SER 1 9.966 0.759 4.702 7 HG SER 1 HG SER 1 12.010 0.052 4.441 8 H ARG 2 HN ARG 2 7.204 -2.378 6.399 9 HA ARG 2 HA ARG 2 5.725 -2.996 4.116 10 HB2 ARG 2 HB2 ARG 2 4.444 -2.379 6.768 11 HB3 ARG 2 HB1 ARG 2 3.953 -3.577 5.570 12 HG2 ARG 2 HG2 ARG 2 5.367 -5.139 6.403 13 HG3 ARG 2 HG1 ARG 2 6.695 -3.991 6.531 14 HD2 ARG 2 HD2 ARG 2 5.915 -4.900 8.750 15 HD3 ARG 2 HD1 ARG 2 5.856 -3.141 8.631 16 HE ARG 2 HE ARG 2 3.384 -4.483 7.896 17 HH11 ARG 2 HH11 ARG 2 1.614 -4.051 9.242 18 HH12 ARG 2 HH12 ARG 2 1.859 -3.294 10.782 19 HH21 ARG 2 HH21 ARG 2 5.301 -3.057 10.426 20 HH22 ARG 2 HH22 ARG 2 3.944 -2.729 11.451 21 H SER 3 HN SER 3 5.686 -0.187 6.177 22 HA SER 3 HA SER 3 3.418 1.130 5.262 23 HB2 SER 3 HB2 SER 3 5.599 2.978 5.723 24 HB3 SER 3 HB1 SER 3 4.120 2.742 6.644 25 HG SER 3 HG SER 3 6.639 1.888 7.151 26 H GLU 4 HN GLU 4 6.473 0.673 3.622 27 HA GLU 4 HA GLU 4 6.040 2.858 1.782 28 HB2 GLU 4 HB2 GLU 4 8.043 0.625 1.967 29 HB3 GLU 4 HB1 GLU 4 7.972 1.682 0.558 30 HG2 GLU 4 HG2 GLU 4 8.342 2.583 3.432 31 HG3 GLU 4 HG1 GLU 4 9.600 2.530 2.198 32 H LEU 5 HN LEU 5 6.218 -0.676 1.343 33 HA LEU 5 HA LEU 5 5.383 -0.755 -1.292 34 HB2 LEU 5 HB2 LEU 5 4.592 -2.867 0.685 35 HB3 LEU 5 HB1 LEU 5 5.040 -3.059 -1.010 36 HG LEU 5 HG LEU 5 7.301 -1.880 -0.030 37 HD11 LEU 5 HD11 LEU 5 7.797 -2.537 2.150 38 HD12 LEU 5 HD12 LEU 5 6.616 -3.843 2.133 39 HD13 LEU 5 HD13 LEU 5 6.078 -2.176 2.292 40 HD21 LEU 5 HD21 LEU 5 8.281 -3.871 -0.581 41 HD22 LEU 5 HD22 LEU 5 6.671 -4.242 -1.205 42 HD23 LEU 5 HD23 LEU 5 7.153 -4.812 0.394 43 H ILE 6 HN ILE 6 3.309 -0.956 1.626 44 HA ILE 6 HA ILE 6 0.901 -1.351 0.255 45 HB ILE 6 HB ILE 6 -0.217 -0.475 2.259 46 HG12 ILE 6 HG12 ILE 6 2.574 0.485 2.932 47 HG13 ILE 6 HG11 ILE 6 1.098 1.443 2.817 48 HG21 ILE 6 HG21 ILE 6 2.179 -1.977 3.269 49 HG22 ILE 6 HG22 ILE 6 1.083 -2.753 2.128 50 HG23 ILE 6 HG23 ILE 6 0.482 -2.187 3.689 51 HD11 ILE 6 HD11 ILE 6 0.252 -0.207 4.706 52 HD12 ILE 6 HD12 ILE 6 1.259 1.179 5.126 53 HD13 ILE 6 HD13 ILE 6 1.979 -0.427 4.991 54 H VAL 7 HN VAL 7 2.575 1.654 1.107 55 HA VAL 7 HA VAL 7 0.560 3.367 0.064 56 HB VAL 7 HB VAL 7 3.464 3.841 0.738 57 HG11 VAL 7 HG11 VAL 7 1.312 5.821 -0.076 58 HG12 VAL 7 HG12 VAL 7 2.797 5.468 -0.964 59 HG13 VAL 7 HG13 VAL 7 2.877 6.266 0.605 60 HG21 VAL 7 HG21 VAL 7 2.655 4.744 2.763 61 HG22 VAL 7 HG22 VAL 7 1.658 3.312 2.524 62 HG23 VAL 7 HG23 VAL 7 1.013 4.905 2.137 63 H HIS 8 HN HIS 8 3.529 2.006 -1.269 64 HA HIS 8 HA HIS 8 3.724 3.497 -3.620 65 HB2 HIS 8 HB2 HIS 8 4.372 0.568 -3.213 66 HB3 HIS 8 HB1 HIS 8 4.890 1.537 -4.590 67 HD2 HIS 8 HD2 HIS 8 5.211 3.850 -1.648 68 HE1 HIS 8 HE1 HIS 8 8.899 1.795 -1.752 69 HE2 HIS 8 HE2 HIS 8 7.661 3.769 -0.731 70 H GLN 9 HN GLN 9 2.026 0.385 -3.172 71 HA GLN 9 HA GLN 9 0.949 0.288 -5.783 72 HB2 GLN 9 HB2 GLN 9 -0.914 -0.990 -4.093 73 HB3 GLN 9 HB1 GLN 9 0.377 -1.752 -5.022 74 HG2 GLN 9 HG2 GLN 9 1.925 -1.521 -3.175 75 HG3 GLN 9 HG1 GLN 9 0.754 -0.579 -2.258 76 HE21 GLN 9 HE21 GLN 9 1.547 -3.834 -3.373 77 HE22 GLN 9 HE22 GLN 9 0.423 -4.633 -2.385 78 H ARG 10 HN ARG 10 0.033 2.035 -2.954 79 HA ARG 10 HA ARG 10 -2.657 2.604 -3.740 80 HB2 ARG 10 HB2 ARG 10 -1.010 3.094 -1.480 81 HB3 ARG 10 HB1 ARG 10 -1.612 4.653 -2.036 82 HG2 ARG 10 HG2 ARG 10 -3.355 3.951 -0.638 83 HG3 ARG 10 HG1 ARG 10 -3.918 3.387 -2.211 84 HD2 ARG 10 HD2 ARG 10 -2.205 1.608 -0.495 85 HD3 ARG 10 HD1 ARG 10 -3.934 1.735 -0.179 86 HE ARG 10 HE ARG 10 -4.064 1.149 -2.735 87 HH11 ARG 10 HH11 ARG 10 -3.820 -0.860 -3.739 88 HH12 ARG 10 HH12 ARG 10 -2.750 -2.045 -3.063 89 HH21 ARG 10 HH21 ARG 10 -1.799 -0.052 -0.379 90 HH22 ARG 10 HH22 ARG 10 -1.572 -1.575 -1.183 91 HN1 NH2 11 H1 ARG 10 0.230 3.599 -5.120 92 HN2 NH2 11 H2 ARG 10 -0.304 5.062 -5.798 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 9.743 -0.960 4.774 2 H2 SER 1 HT2 SER 1 10.325 -2.519 5.113 3 H3 SER 1 HT3 SER 1 10.557 -1.269 6.229 4 HA SER 1 HA SER 1 8.666 -3.023 6.549 5 HB2 SER 1 HB2 SER 1 7.396 -0.614 7.261 6 HB3 SER 1 HB1 SER 1 8.454 -1.589 8.280 7 HG SER 1 HG SER 1 9.108 0.606 6.581 8 H ARG 2 HN ARG 2 6.174 -2.685 6.423 9 HA ARG 2 HA ARG 2 5.426 -2.769 3.697 10 HB2 ARG 2 HB2 ARG 2 3.054 -2.661 4.714 11 HB3 ARG 2 HB1 ARG 2 4.071 -4.046 5.109 12 HG2 ARG 2 HG2 ARG 2 4.249 -3.453 7.301 13 HG3 ARG 2 HG1 ARG 2 4.393 -1.735 6.925 14 HD2 ARG 2 HD2 ARG 2 1.734 -2.807 6.304 15 HD3 ARG 2 HD1 ARG 2 2.154 -2.973 8.006 16 HE ARG 2 HE ARG 2 2.659 -0.340 6.854 17 HH11 ARG 2 HH11 ARG 2 1.473 1.351 7.830 18 HH12 ARG 2 HH12 ARG 2 0.121 0.975 8.850 19 HH21 ARG 2 HH21 ARG 2 0.476 -2.455 8.519 20 HH22 ARG 2 HH22 ARG 2 -0.424 -1.177 9.267 21 H SER 3 HN SER 3 5.344 -0.235 6.093 22 HA SER 3 HA SER 3 3.546 1.568 5.080 23 HB2 SER 3 HB2 SER 3 6.255 2.414 6.095 24 HB3 SER 3 HB1 SER 3 4.709 3.243 6.279 25 HG SER 3 HG SER 3 4.207 1.952 7.887 26 H GLU 4 HN GLU 4 6.794 0.881 3.865 27 HA GLU 4 HA GLU 4 6.669 3.085 1.985 28 HB2 GLU 4 HB2 GLU 4 8.698 0.856 2.000 29 HB3 GLU 4 HB1 GLU 4 8.880 2.497 1.376 30 HG2 GLU 4 HG2 GLU 4 9.896 2.838 3.403 31 HG3 GLU 4 HG1 GLU 4 8.235 3.069 3.940 32 H LEU 5 HN LEU 5 6.185 -0.390 1.945 33 HA LEU 5 HA LEU 5 6.241 -0.677 -0.873 34 HB2 LEU 5 HB2 LEU 5 4.681 -2.560 0.847 35 HB3 LEU 5 HB1 LEU 5 5.726 -2.901 -0.530 36 HG LEU 5 HG LEU 5 6.645 -1.998 2.216 37 HD11 LEU 5 HD11 LEU 5 7.066 -4.637 0.785 38 HD12 LEU 5 HD12 LEU 5 5.845 -4.375 2.033 39 HD13 LEU 5 HD13 LEU 5 7.559 -4.234 2.430 40 HD21 LEU 5 HD21 LEU 5 8.090 -1.115 0.431 41 HD22 LEU 5 HD22 LEU 5 8.215 -2.725 -0.278 42 HD23 LEU 5 HD23 LEU 5 8.921 -2.401 1.306 43 H ILE 6 HN ILE 6 3.486 -0.457 1.407 44 HA ILE 6 HA ILE 6 1.549 -0.761 -0.632 45 HB ILE 6 HB ILE 6 -0.068 -0.601 0.991 46 HG12 ILE 6 HG12 ILE 6 0.492 1.782 1.614 47 HG13 ILE 6 HG11 ILE 6 0.035 0.770 2.980 48 HG21 ILE 6 HG21 ILE 6 2.155 -1.079 2.931 49 HG22 ILE 6 HG22 ILE 6 2.010 -2.155 1.546 50 HG23 ILE 6 HG23 ILE 6 0.671 -1.993 2.678 51 HD11 ILE 6 HD11 ILE 6 2.283 0.537 3.704 52 HD12 ILE 6 HD12 ILE 6 2.100 2.251 3.308 53 HD13 ILE 6 HD13 ILE 6 2.919 1.165 2.183 54 H VAL 7 HN VAL 7 3.007 2.157 0.718 55 HA VAL 7 HA VAL 7 1.139 4.026 -0.021 56 HB VAL 7 HB VAL 7 3.160 5.556 -0.324 57 HG11 VAL 7 HG11 VAL 7 3.804 4.891 2.223 58 HG12 VAL 7 HG12 VAL 7 2.265 4.057 2.059 59 HG13 VAL 7 HG13 VAL 7 2.358 5.795 1.797 60 HG21 VAL 7 HG21 VAL 7 4.658 3.544 -0.921 61 HG22 VAL 7 HG22 VAL 7 4.656 3.193 0.809 62 HG23 VAL 7 HG23 VAL 7 5.312 4.720 0.222 63 H HIS 8 HN HIS 8 3.345 2.310 -2.118 64 HA HIS 8 HA HIS 8 2.831 4.086 -4.356 65 HB2 HIS 8 HB2 HIS 8 4.106 1.359 -4.516 66 HB3 HIS 8 HB1 HIS 8 4.302 2.726 -5.614 67 HD2 HIS 8 HD2 HIS 8 5.990 1.286 -2.494 68 HE1 HIS 8 HE1 HIS 8 7.400 5.244 -2.858 69 HE2 HIS 8 HE2 HIS 8 7.737 3.032 -1.657 70 H GLN 9 HN GLN 9 2.120 0.673 -3.618 71 HA GLN 9 HA GLN 9 0.437 0.326 -5.877 72 HB2 GLN 9 HB2 GLN 9 -0.395 -1.627 -4.152 73 HB3 GLN 9 HB1 GLN 9 0.988 -1.765 -5.234 74 HG2 GLN 9 HG2 GLN 9 2.531 -1.308 -3.537 75 HG3 GLN 9 HG1 GLN 9 1.328 -0.515 -2.525 76 HE21 GLN 9 HE21 GLN 9 3.155 -3.153 -2.380 77 HE22 GLN 9 HE22 GLN 9 2.072 -4.259 -1.680 78 H ARG 10 HN ARG 10 -0.211 1.147 -2.521 79 HA ARG 10 HA ARG 10 -3.064 1.031 -2.804 80 HB2 ARG 10 HB2 ARG 10 -1.414 1.063 -0.648 81 HB3 ARG 10 HB1 ARG 10 -1.923 2.750 -0.676 82 HG2 ARG 10 HG2 ARG 10 -3.626 1.816 0.593 83 HG3 ARG 10 HG1 ARG 10 -4.329 1.685 -1.019 84 HD2 ARG 10 HD2 ARG 10 -2.759 -0.513 0.361 85 HD3 ARG 10 HD1 ARG 10 -4.514 -0.433 0.302 86 HE ARG 10 HE ARG 10 -4.272 -0.572 -2.196 87 HH11 ARG 10 HH11 ARG 10 -3.405 -2.041 -3.697 88 HH12 ARG 10 HH12 ARG 10 -2.040 -3.017 -3.262 89 HH21 ARG 10 HH21 ARG 10 -1.764 -1.710 -0.070 90 HH22 ARG 10 HH22 ARG 10 -1.090 -2.810 -1.230 91 HN1 NH2 11 H1 ARG 10 -0.755 3.775 -2.650 92 HN2 NH2 11 H2 ARG 10 -1.786 4.874 -3.431 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 9.248 0.431 7.006 2 H2 SER 1 HT2 SER 1 7.728 -0.132 7.500 3 H3 SER 1 HT3 SER 1 7.909 0.609 5.976 4 HA SER 1 HA SER 1 9.637 -1.299 5.625 5 HB2 SER 1 HB2 SER 1 7.813 -3.084 6.983 6 HB3 SER 1 HB1 SER 1 9.560 -2.957 7.142 7 HG SER 1 HG SER 1 9.280 -1.335 8.666 8 H ARG 2 HN ARG 2 6.311 -2.326 6.358 9 HA ARG 2 HA ARG 2 5.809 -2.987 3.614 10 HB2 ARG 2 HB2 ARG 2 3.777 -2.729 5.844 11 HB3 ARG 2 HB1 ARG 2 3.628 -3.678 4.364 12 HG2 ARG 2 HG2 ARG 2 4.385 -5.407 5.622 13 HG3 ARG 2 HG1 ARG 2 5.971 -4.658 5.427 14 HD2 ARG 2 HD2 ARG 2 4.931 -3.207 7.521 15 HD3 ARG 2 HD1 ARG 2 4.232 -4.796 7.811 16 HE ARG 2 HE ARG 2 7.001 -5.067 7.243 17 HH11 ARG 2 HH11 ARG 2 8.419 -5.458 8.967 18 HH12 ARG 2 HH12 ARG 2 7.930 -5.096 10.588 19 HH21 ARG 2 HH21 ARG 2 4.786 -3.939 9.662 20 HH22 ARG 2 HH22 ARG 2 5.865 -4.227 10.986 21 H SER 3 HN SER 3 5.151 -0.296 5.691 22 HA SER 3 HA SER 3 3.090 1.024 4.471 23 HB2 SER 3 HB2 SER 3 5.380 2.713 5.291 24 HB3 SER 3 HB1 SER 3 3.678 2.803 5.750 25 HG SER 3 HG SER 3 4.967 2.087 7.484 26 H GLU 4 HN GLU 4 6.520 1.100 3.463 27 HA GLU 4 HA GLU 4 6.200 3.110 1.510 28 HB2 GLU 4 HB2 GLU 4 8.130 0.780 1.467 29 HB3 GLU 4 HB1 GLU 4 8.310 2.326 0.627 30 HG2 GLU 4 HG2 GLU 4 9.562 2.805 2.509 31 HG3 GLU 4 HG1 GLU 4 7.973 3.279 3.107 32 H LEU 5 HN LEU 5 6.346 -0.413 1.133 33 HA LEU 5 HA LEU 5 5.637 -0.513 -1.573 34 HB2 LEU 5 HB2 LEU 5 4.938 -2.603 0.492 35 HB3 LEU 5 HB1 LEU 5 5.269 -2.843 -1.225 36 HG LEU 5 HG LEU 5 7.579 -1.698 -0.620 37 HD11 LEU 5 HD11 LEU 5 7.867 -1.287 1.563 38 HD12 LEU 5 HD12 LEU 5 7.820 -3.020 1.861 39 HD13 LEU 5 HD13 LEU 5 6.341 -2.071 1.961 40 HD21 LEU 5 HD21 LEU 5 7.692 -3.869 -1.475 41 HD22 LEU 5 HD22 LEU 5 6.685 -4.536 -0.191 42 HD23 LEU 5 HD23 LEU 5 8.357 -4.085 0.141 43 H ILE 6 HN ILE 6 3.651 -0.657 1.376 44 HA ILE 6 HA ILE 6 1.172 -1.031 0.095 45 HB ILE 6 HB ILE 6 1.928 0.254 2.729 46 HG12 ILE 6 HG12 ILE 6 0.678 -2.401 1.946 47 HG13 ILE 6 HG11 ILE 6 2.317 -2.161 2.549 48 HG21 ILE 6 HG21 ILE 6 -0.479 0.125 3.314 49 HG22 ILE 6 HG22 ILE 6 -0.846 -0.399 1.670 50 HG23 ILE 6 HG23 ILE 6 -0.217 1.224 1.956 51 HD11 ILE 6 HD11 ILE 6 -0.236 -2.244 4.023 52 HD12 ILE 6 HD12 ILE 6 0.834 -0.926 4.500 53 HD13 ILE 6 HD13 ILE 6 1.397 -2.597 4.585 54 H VAL 7 HN VAL 7 2.889 1.944 1.083 55 HA VAL 7 HA VAL 7 0.918 3.729 0.104 56 HB VAL 7 HB VAL 7 3.889 4.096 0.574 57 HG11 VAL 7 HG11 VAL 7 3.167 5.758 -1.058 58 HG12 VAL 7 HG12 VAL 7 3.353 6.543 0.512 59 HG13 VAL 7 HG13 VAL 7 1.745 6.135 -0.086 60 HG21 VAL 7 HG21 VAL 7 1.779 5.430 2.199 61 HG22 VAL 7 HG22 VAL 7 3.337 4.780 2.702 62 HG23 VAL 7 HG23 VAL 7 1.975 3.693 2.432 63 H HIS 8 HN HIS 8 3.706 2.175 -1.321 64 HA HIS 8 HA HIS 8 3.727 3.581 -3.775 65 HB2 HIS 8 HB2 HIS 8 5.675 2.383 -3.546 66 HB3 HIS 8 HB1 HIS 8 4.874 1.024 -2.763 67 HD2 HIS 8 HD2 HIS 8 4.253 2.434 -6.449 68 HE1 HIS 8 HE1 HIS 8 5.112 -1.696 -6.648 69 HE2 HIS 8 HE2 HIS 8 4.487 0.352 -8.016 70 H GLN 9 HN GLN 9 2.153 0.564 -2.757 71 HA GLN 9 HA GLN 9 0.905 0.103 -5.299 72 HB2 GLN 9 HB2 GLN 9 0.283 -1.036 -2.563 73 HB3 GLN 9 HB1 GLN 9 -0.344 -1.651 -4.093 74 HG2 GLN 9 HG2 GLN 9 2.538 -1.379 -4.232 75 HG3 GLN 9 HG1 GLN 9 2.086 -2.361 -2.842 76 HE21 GLN 9 HE21 GLN 9 2.095 -4.539 -3.441 77 HE22 GLN 9 HE22 GLN 9 1.540 -5.138 -4.929 78 H ARG 10 HN ARG 10 -0.036 1.514 -2.243 79 HA ARG 10 HA ARG 10 -2.778 1.905 -2.908 80 HB2 ARG 10 HB2 ARG 10 -0.932 3.076 -0.833 81 HB3 ARG 10 HB1 ARG 10 -2.622 3.547 -0.964 82 HG2 ARG 10 HG2 ARG 10 -1.801 0.647 -0.759 83 HG3 ARG 10 HG1 ARG 10 -2.063 1.640 0.677 84 HD2 ARG 10 HD2 ARG 10 -4.089 1.146 -1.520 85 HD3 ARG 10 HD1 ARG 10 -4.107 0.408 0.076 86 HE ARG 10 HE ARG 10 -4.078 3.273 0.252 87 HH11 ARG 10 HH11 ARG 10 -6.017 4.269 0.924 88 HH12 ARG 10 HH12 ARG 10 -7.507 3.387 0.861 89 HH21 ARG 10 HH21 ARG 10 -6.060 0.491 -0.390 90 HH22 ARG 10 HH22 ARG 10 -7.535 1.259 0.091 91 HN1 NH2 11 H1 ARG 10 0.049 4.135 -2.949 92 HN2 NH2 11 H2 ARG 10 -0.697 5.284 -3.955
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