NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617929 | 5tbr | 30179 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 5.001 3.251 15.049 2 H2 GLY 1 HT2 GLY 1 6.535 2.555 14.829 3 H3 GLY 1 HT3 GLY 1 5.293 2.252 13.710 4 HA2 GLY 1 HA1 GLY 1 5.367 4.908 13.598 5 HA3 GLY 1 HA2 GLY 1 7.054 4.543 13.958 6 H GLU 2 HN GLU 2 7.593 5.258 11.774 7 HA GLU 2 HA GLU 2 6.731 3.352 9.638 8 HB2 GLU 2 HB2 GLU 2 7.939 6.122 9.361 9 HB3 GLU 2 HB1 GLU 2 7.364 5.104 8.040 10 HG2 GLU 2 HG2 GLU 2 5.086 5.128 9.067 11 HG3 GLU 2 HG1 GLU 2 5.684 6.254 10.287 12 H CGU 3 HN GLA 3 8.456 1.956 10.804 13 HA CGU 3 HA GLA 3 11.218 2.728 9.985 14 HB2 CGU 3 HB1 GLA 3 10.270 0.476 11.787 15 HB3 CGU 3 HB2 GLA 3 10.879 2.033 12.340 16 HG CGU 3 HG GLA 3 12.407 -0.016 10.706 17 H CGU 4 HN GLA 4 8.653 0.487 9.306 18 HA CGU 4 HA GLA 4 10.365 -1.382 7.834 19 HB2 CGU 4 HB1 GLA 4 8.356 -2.566 7.316 20 HB3 CGU 4 HB2 GLA 4 7.353 -1.148 7.623 21 HG CGU 4 HG GLA 4 9.086 -2.369 9.764 22 H LEU 5 HN LEU 5 8.582 1.506 7.209 23 HA LEU 5 HA LEU 5 8.446 1.204 4.327 24 HB2 LEU 5 HB2 LEU 5 8.245 3.671 6.082 25 HB3 LEU 5 HB1 LEU 5 7.865 3.614 4.366 26 HG LEU 5 HG LEU 5 6.188 1.796 4.880 27 HD11 LEU 5 HD11 LEU 5 5.483 2.108 7.450 28 HD12 LEU 5 HD12 LEU 5 7.212 2.416 7.612 29 HD13 LEU 5 HD13 LEU 5 6.648 0.884 6.944 30 HD21 LEU 5 HD21 LEU 5 4.493 3.363 5.698 31 HD22 LEU 5 HD22 LEU 5 5.560 4.188 4.561 32 HD23 LEU 5 HD23 LEU 5 5.752 4.445 6.296 33 H ALA 6 HN ALA 6 10.844 2.232 6.601 34 HA ALA 6 HA ALA 6 12.440 3.655 4.566 35 HB1 ALA 6 HB1 ALA 6 13.933 3.023 6.965 36 HB2 ALA 6 HB2 ALA 6 12.355 3.686 7.391 37 HB3 ALA 6 HB3 ALA 6 13.443 4.602 6.349 38 H CGU 7 HN GLA 7 12.452 0.530 6.236 39 HA CGU 7 HA GLA 7 15.012 -0.314 5.215 40 HB2 CGU 7 HB1 GLA 7 14.301 -2.574 5.885 41 HB3 CGU 7 HB2 GLA 7 12.650 -2.003 6.094 42 HG CGU 7 HG GLA 7 13.477 -0.381 7.809 43 H LYS 8 HN LYS 8 11.781 -0.246 3.870 44 HA LYS 8 HA LYS 8 12.421 -2.109 1.706 45 HB2 LYS 8 HB2 LYS 8 10.068 -0.577 2.601 46 HB3 LYS 8 HB1 LYS 8 10.206 -0.728 0.850 47 HG2 LYS 8 HG2 LYS 8 10.467 -3.180 1.097 48 HG3 LYS 8 HG1 LYS 8 10.281 -3.014 2.842 49 HD2 LYS 8 HD2 LYS 8 8.032 -2.051 2.516 50 HD3 LYS 8 HD1 LYS 8 8.214 -2.219 0.769 51 HE2 LYS 8 HE2 LYS 8 6.926 -4.107 1.687 52 HE3 LYS 8 HE1 LYS 8 8.466 -4.666 1.036 53 HZ1 LYS 8 HZ1 LYS 8 7.560 -5.214 3.505 54 HZ2 LYS 8 HZ2 LYS 8 8.560 -3.875 3.808 55 HZ3 LYS 8 HZ3 LYS 8 9.193 -5.257 3.050 56 H ALA 9 HN ALA 9 12.192 1.430 2.090 57 HA ALA 9 HA ALA 9 12.915 1.879 -0.716 58 HB1 ALA 9 HB1 ALA 9 13.111 4.000 1.399 59 HB2 ALA 9 HB2 ALA 9 11.519 3.413 0.921 60 HB3 ALA 9 HB3 ALA 9 12.585 4.146 -0.278 61 H ALA 10 HN ALA 10 14.525 1.532 2.347 62 HA ALA 10 HA ALA 10 17.008 2.799 1.582 63 HB1 ALA 10 HB1 ALA 10 17.945 1.540 3.531 64 HB2 ALA 10 HB2 ALA 10 16.398 0.707 3.693 65 HB3 ALA 10 HB3 ALA 10 16.491 2.450 3.940 66 H CGU 11 HN GLA 11 15.648 -0.429 1.206 67 HA CGU 11 HA GLA 11 18.204 -1.549 0.294 68 HB2 CGU 11 HB1 GLA 11 15.376 -2.639 0.348 69 HB3 CGU 11 HB2 GLA 11 16.746 -3.152 1.340 70 HG CGU 11 HG GLA 11 17.776 -3.545 -1.146 71 H PHE 12 HN PHE 12 15.049 -0.803 -1.282 72 HA PHE 12 HA PHE 12 15.805 -1.411 -3.938 73 HB2 PHE 12 HB2 PHE 12 14.302 1.172 -3.299 74 HB3 PHE 12 HB1 PHE 12 14.112 0.100 -4.716 75 HD1 PHE 12 HD1 PHE 12 14.168 -2.579 -3.123 76 HD2 PHE 12 HD2 PHE 12 11.989 1.080 -2.514 77 HE1 PHE 12 HE1 PHE 12 12.395 -3.822 -1.945 78 HE2 PHE 12 HE2 PHE 12 10.223 -0.175 -1.334 79 HZ PHE 12 HZ PHE 12 10.421 -2.626 -1.048 80 H ALA 13 HN ALA 13 16.839 1.204 -1.863 81 HA ALA 13 HA ALA 13 18.077 2.820 -3.920 82 HB1 ALA 13 HB1 ALA 13 18.496 2.607 -0.935 83 HB2 ALA 13 HB2 ALA 13 17.806 3.944 -1.855 84 HB3 ALA 13 HB3 ALA 13 19.538 3.625 -1.930 85 H ARG 14 HN ARG 14 19.570 0.506 -1.586 86 HA ARG 14 HA ARG 14 22.169 0.499 -2.543 87 HB2 ARG 14 HB2 ARG 14 20.539 -1.934 -1.742 88 HB3 ARG 14 HB1 ARG 14 22.300 -1.859 -1.800 89 HG2 ARG 14 HG2 ARG 14 20.546 -0.098 -0.062 90 HG3 ARG 14 HG1 ARG 14 21.427 -1.517 0.503 91 HD2 ARG 14 HD2 ARG 14 23.522 -0.347 -0.487 92 HD3 ARG 14 HD1 ARG 14 22.530 1.112 -0.477 93 HE ARG 14 HE ARG 14 22.394 -0.162 2.090 94 HH11 ARG 14 HH11 ARG 14 24.205 1.906 0.027 95 HH12 ARG 14 HH12 ARG 14 25.228 2.501 1.292 96 HH21 ARG 14 HH21 ARG 14 23.828 0.479 3.737 97 HH22 ARG 14 HH22 ARG 14 25.013 1.694 3.392 98 H CGU 15 HN GLA 15 19.403 -1.297 -3.919 99 HA CGU 15 HA GLA 15 21.007 -2.494 -6.041 100 HB2 CGU 15 HB1 GLA 15 19.028 -3.419 -6.856 101 HB3 CGU 15 HB2 GLA 15 18.047 -2.042 -6.367 102 HG CGU 15 HG GLA 15 18.109 -2.717 -4.065 103 H LEU 16 HN LEU 16 19.415 0.563 -5.586 104 HA LEU 16 HA LEU 16 19.243 1.295 -8.376 105 HB2 LEU 16 HB2 LEU 16 18.145 2.360 -6.208 106 HB3 LEU 16 HB1 LEU 16 19.603 3.352 -6.228 107 HG LEU 16 HG LEU 16 17.663 3.025 -8.536 108 HD11 LEU 16 HD11 LEU 16 18.032 5.070 -6.380 109 HD12 LEU 16 HD12 LEU 16 16.543 4.476 -7.117 110 HD13 LEU 16 HD13 LEU 16 17.561 5.624 -7.987 111 HD21 LEU 16 HD21 LEU 16 19.141 5.118 -9.247 112 HD22 LEU 16 HD22 LEU 16 19.671 3.476 -9.610 113 HD23 LEU 16 HD23 LEU 16 20.341 4.332 -8.220 114 H ALA 17 HN ALA 17 21.743 1.555 -5.902 115 HA ALA 17 HA ALA 17 23.454 3.292 -7.486 116 HB1 ALA 17 HB1 ALA 17 24.197 1.496 -5.159 117 HB2 ALA 17 HB2 ALA 17 23.571 3.136 -4.992 118 HB3 ALA 17 HB3 ALA 17 25.130 2.861 -5.771 119 H ASN 18 HN ASN 18 23.043 -0.182 -7.115 120 HA ASN 18 HA ASN 18 25.531 -0.895 -8.456 121 HB2 ASN 18 HB2 ASN 18 23.155 -2.725 -8.537 122 HB3 ASN 18 HB1 ASN 18 24.851 -3.096 -8.225 123 HD21 ASN 18 HD21 ASN 18 24.658 -0.543 -6.324 124 HD22 ASN 18 HD22 ASN 18 24.036 -1.235 -4.874 125 H TYR 19 HN TYR 19 22.670 0.497 -9.587 126 HA TYR 19 HA TYR 19 22.958 -0.709 -12.285 127 HB2 TYR 19 HB2 TYR 19 20.686 -0.680 -11.737 128 HB3 TYR 19 HB1 TYR 19 20.812 0.857 -10.882 129 HD1 TYR 19 HD1 TYR 19 21.319 -0.577 -14.307 130 HD2 TYR 19 HD2 TYR 19 20.088 2.791 -11.946 131 HE1 TYR 19 HE1 TYR 19 20.663 0.631 -16.376 132 HE2 TYR 19 HE2 TYR 19 19.430 4.001 -14.012 133 HH TYR 19 HH TYR 19 20.178 2.738 -17.197 134 HN1 NH2 20 H1 NH2 20 23.788 2.144 -10.496 135 HN2 NH2 20 H2 NH2 20 24.252 3.112 -11.844 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 3.936 -0.554 11.893 2 H2 GLY 1 HT2 GLY 1 2.819 0.496 12.625 3 H3 GLY 1 HT3 GLY 1 3.743 -0.566 13.577 4 HA2 GLY 1 HA1 GLY 1 4.409 1.928 13.386 5 HA3 GLY 1 HA2 GLY 1 5.644 0.668 13.403 6 H GLU 2 HN GLU 2 6.576 2.794 12.209 7 HA GLU 2 HA GLU 2 6.182 2.321 9.279 8 HB2 GLU 2 HB2 GLU 2 6.908 4.924 10.659 9 HB3 GLU 2 HB1 GLU 2 6.711 4.696 8.921 10 HG2 GLU 2 HG2 GLU 2 4.349 3.940 9.366 11 HG3 GLU 2 HG1 GLU 2 4.577 4.409 11.051 12 H CGU 3 HN GLA 3 8.040 0.818 10.721 13 HA CGU 3 HA GLA 3 10.663 2.133 10.173 14 HB2 CGU 3 HB1 GLA 3 10.025 -0.419 11.694 15 HB3 CGU 3 HB2 GLA 3 10.355 1.148 12.426 16 HG CGU 3 HG GLA 3 12.280 -0.338 10.612 17 H CGU 4 HN GLA 4 8.536 -0.394 9.123 18 HA CGU 4 HA GLA 4 10.576 -1.851 7.615 19 HB2 CGU 4 HB1 GLA 4 8.788 -3.227 6.837 20 HB3 CGU 4 HB2 GLA 4 7.584 -1.984 7.179 21 HG CGU 4 HG GLA 4 9.308 -3.190 9.340 22 H LEU 5 HN LEU 5 8.481 0.839 7.104 23 HA LEU 5 HA LEU 5 8.554 0.775 4.205 24 HB2 LEU 5 HB2 LEU 5 6.740 2.052 5.004 25 HB3 LEU 5 HB1 LEU 5 7.696 2.746 6.312 26 HG LEU 5 HG LEU 5 8.926 4.137 4.726 27 HD11 LEU 5 HD11 LEU 5 7.424 3.944 2.358 28 HD12 LEU 5 HD12 LEU 5 7.761 2.276 2.819 29 HD13 LEU 5 HD13 LEU 5 9.089 3.413 2.591 30 HD21 LEU 5 HD21 LEU 5 7.272 5.711 4.597 31 HD22 LEU 5 HD22 LEU 5 6.373 4.533 5.553 32 HD23 LEU 5 HD23 LEU 5 6.147 4.609 3.806 33 H ALA 6 HN ALA 6 10.455 2.347 6.743 34 HA ALA 6 HA ALA 6 12.042 3.941 4.918 35 HB1 ALA 6 HB1 ALA 6 12.465 4.835 6.967 36 HB2 ALA 6 HB2 ALA 6 13.696 3.579 7.088 37 HB3 ALA 6 HB3 ALA 6 12.104 3.324 7.802 38 H CGU 7 HN GLA 7 12.389 0.682 6.265 39 HA CGU 7 HA GLA 7 15.074 0.274 5.318 40 HB2 CGU 7 HB1 GLA 7 14.649 -2.110 5.691 41 HB3 CGU 7 HB2 GLA 7 12.920 -1.805 5.814 42 HG CGU 7 HG GLA 7 13.454 -0.229 7.739 43 H LYS 8 HN LYS 8 11.923 0.034 3.761 44 HA LYS 8 HA LYS 8 12.976 -1.428 1.457 45 HB2 LYS 8 HB2 LYS 8 10.365 0.003 1.973 46 HB3 LYS 8 HB1 LYS 8 10.736 -0.782 0.439 47 HG2 LYS 8 HG2 LYS 8 11.268 -2.878 1.826 48 HG3 LYS 8 HG1 LYS 8 10.467 -2.055 3.165 49 HD2 LYS 8 HD2 LYS 8 9.236 -2.666 0.460 50 HD3 LYS 8 HD1 LYS 8 8.868 -3.491 1.975 51 HE2 LYS 8 HE2 LYS 8 7.136 -1.874 1.685 52 HE3 LYS 8 HE1 LYS 8 8.217 -1.204 2.907 53 HZ1 LYS 8 HZ1 LYS 8 7.461 -0.018 0.544 54 HZ2 LYS 8 HZ2 LYS 8 9.068 -0.506 0.288 55 HZ3 LYS 8 HZ3 LYS 8 8.683 0.506 1.598 56 H ALA 9 HN ALA 9 12.609 1.934 2.377 57 HA ALA 9 HA ALA 9 12.986 2.941 -0.342 58 HB1 ALA 9 HB1 ALA 9 13.659 4.798 1.815 59 HB2 ALA 9 HB2 ALA 9 12.086 4.037 2.057 60 HB3 ALA 9 HB3 ALA 9 12.414 4.931 0.573 61 H ALA 10 HN ALA 10 14.992 2.825 2.620 62 HA ALA 10 HA ALA 10 17.362 3.846 1.394 63 HB1 ALA 10 HB1 ALA 10 16.609 2.968 3.950 64 HB2 ALA 10 HB2 ALA 10 18.175 3.634 3.489 65 HB3 ALA 10 HB3 ALA 10 17.920 1.889 3.473 66 H CGU 11 HN GLA 11 16.007 0.589 1.612 67 HA CGU 11 HA GLA 11 18.366 -0.734 0.568 68 HB2 CGU 11 HB1 GLA 11 15.476 -1.519 0.930 69 HB3 CGU 11 HB2 GLA 11 16.906 -2.233 1.676 70 HG CGU 11 HG GLA 11 17.559 -2.898 -0.759 71 H PHE 12 HN PHE 12 15.234 0.153 -0.928 72 HA PHE 12 HA PHE 12 15.791 -0.657 -3.582 73 HB2 PHE 12 HB2 PHE 12 13.614 0.443 -3.185 74 HB3 PHE 12 HB1 PHE 12 14.431 1.993 -2.788 75 HD1 PHE 12 HD1 PHE 12 15.973 3.020 -4.663 76 HD2 PHE 12 HD2 PHE 12 13.020 -0.016 -5.444 77 HE1 PHE 12 HE1 PHE 12 15.980 3.614 -7.056 78 HE2 PHE 12 HE2 PHE 12 13.038 0.593 -7.834 79 HZ PHE 12 HZ PHE 12 14.515 2.406 -8.644 80 H ALA 13 HN ALA 13 17.185 1.997 -1.770 81 HA ALA 13 HA ALA 13 18.490 3.305 -3.982 82 HB1 ALA 13 HB1 ALA 13 19.618 3.165 -1.173 83 HB2 ALA 13 HB2 ALA 13 18.268 4.218 -1.596 84 HB3 ALA 13 HB3 ALA 13 19.837 4.444 -2.367 85 H ARG 14 HN ARG 14 19.864 0.981 -1.591 86 HA ARG 14 HA ARG 14 22.377 0.614 -2.709 87 HB2 ARG 14 HB2 ARG 14 20.491 -1.331 -1.386 88 HB3 ARG 14 HB1 ARG 14 22.057 -1.875 -1.988 89 HG2 ARG 14 HG2 ARG 14 22.132 -1.191 0.414 90 HG3 ARG 14 HG1 ARG 14 23.209 -0.232 -0.602 91 HD2 ARG 14 HD2 ARG 14 21.583 1.578 -0.696 92 HD3 ARG 14 HD1 ARG 14 20.410 0.611 0.198 93 HE ARG 14 HE ARG 14 22.484 2.173 1.385 94 HH11 ARG 14 HH11 ARG 14 23.931 0.157 2.461 95 HH12 ARG 14 HH12 ARG 14 22.991 -0.559 3.728 96 HH21 ARG 14 HH21 ARG 14 19.992 0.785 2.623 97 HH22 ARG 14 HH22 ARG 14 20.761 -0.205 3.818 98 H CGU 15 HN GLA 15 19.325 -0.853 -3.832 99 HA CGU 15 HA GLA 15 20.569 -2.491 -5.871 100 HB2 CGU 15 HB1 GLA 15 18.419 -2.994 -6.604 101 HB3 CGU 15 HB2 GLA 15 17.804 -1.377 -6.271 102 HG CGU 15 HG GLA 15 17.651 -1.811 -3.938 103 H LEU 16 HN LEU 16 19.249 0.810 -5.877 104 HA LEU 16 HA LEU 16 19.392 1.372 -8.626 105 HB2 LEU 16 HB2 LEU 16 18.566 2.897 -6.751 106 HB3 LEU 16 HB1 LEU 16 20.256 3.316 -6.470 107 HG LEU 16 HG LEU 16 18.937 3.563 -9.183 108 HD11 LEU 16 HD11 LEU 16 17.708 5.113 -7.917 109 HD12 LEU 16 HD12 LEU 16 19.052 6.086 -8.515 110 HD13 LEU 16 HD13 LEU 16 19.073 5.476 -6.861 111 HD21 LEU 16 HD21 LEU 16 21.607 4.070 -8.032 112 HD22 LEU 16 HD22 LEU 16 20.970 5.404 -8.991 113 HD23 LEU 16 HD23 LEU 16 21.138 3.804 -9.712 114 H ALA 17 HN ALA 17 21.987 1.404 -6.198 115 HA ALA 17 HA ALA 17 24.019 2.404 -7.978 116 HB1 ALA 17 HB1 ALA 17 23.997 2.178 -5.358 117 HB2 ALA 17 HB2 ALA 17 25.518 2.008 -6.233 118 HB3 ALA 17 HB3 ALA 17 24.653 0.573 -5.681 119 H ASN 18 HN ASN 18 22.843 -0.838 -7.201 120 HA ASN 18 HA ASN 18 24.977 -2.243 -8.577 121 HB2 ASN 18 HB2 ASN 18 22.219 -3.417 -8.398 122 HB3 ASN 18 HB1 ASN 18 23.786 -4.184 -8.143 123 HD21 ASN 18 HD21 ASN 18 24.325 -1.496 -6.475 124 HD22 ASN 18 HD22 ASN 18 23.676 -1.916 -4.936 125 H TYR 19 HN TYR 19 22.526 -0.262 -9.757 126 HA TYR 19 HA TYR 19 22.161 -1.753 -12.273 127 HB2 TYR 19 HB2 TYR 19 20.174 -0.670 -11.732 128 HB3 TYR 19 HB1 TYR 19 21.005 0.734 -11.061 129 HD1 TYR 19 HD1 TYR 19 22.349 2.213 -12.699 130 HD2 TYR 19 HD2 TYR 19 19.375 -0.625 -13.939 131 HE1 TYR 19 HE1 TYR 19 22.137 3.387 -14.875 132 HE2 TYR 19 HE2 TYR 19 19.160 0.548 -16.115 133 HH TYR 19 HH TYR 19 21.109 3.452 -16.834 134 HN1 NH2 20 H1 NH2 20 24.049 0.966 -11.023 135 HN2 NH2 20 H2 NH2 20 24.865 1.309 -12.502 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 2.474 1.495 7.462 2 H2 GLY 1 HT2 GLY 1 2.697 2.245 8.970 3 H3 GLY 1 HT3 GLY 1 3.667 0.924 8.524 4 HA2 GLY 1 HA1 GLY 1 4.780 2.168 6.861 5 HA3 GLY 1 HA2 GLY 1 3.644 3.502 7.059 6 H GLU 2 HN GLU 2 6.615 2.211 8.092 7 HA GLU 2 HA GLU 2 7.189 4.492 9.754 8 HB2 GLU 2 HB2 GLU 2 5.696 3.224 11.304 9 HB3 GLU 2 HB1 GLU 2 6.810 1.859 11.214 10 HG2 GLU 2 HG2 GLU 2 8.636 3.348 12.049 11 HG3 GLU 2 HG1 GLU 2 7.448 4.637 12.248 12 H CGU 3 HN GLA 3 8.450 1.509 10.932 13 HA CGU 3 HA GLA 3 11.111 2.191 9.894 14 HB2 CGU 3 HB1 GLA 3 10.176 -0.229 11.474 15 HB3 CGU 3 HB2 GLA 3 10.813 1.257 12.170 16 HG CGU 3 HG GLA 3 12.299 -0.592 10.279 17 H CGU 4 HN GLA 4 8.511 0.036 9.047 18 HA CGU 4 HA GLA 4 10.129 -1.731 7.387 19 HB2 CGU 4 HB1 GLA 4 7.988 -2.606 6.590 20 HB3 CGU 4 HB2 GLA 4 7.133 -1.228 7.288 21 HG CGU 4 HG GLA 4 8.898 -2.881 9.048 22 H LEU 5 HN LEU 5 8.600 1.332 7.037 23 HA LEU 5 HA LEU 5 8.625 1.322 4.113 24 HB2 LEU 5 HB2 LEU 5 6.917 2.695 5.059 25 HB3 LEU 5 HB1 LEU 5 8.013 3.355 6.269 26 HG LEU 5 HG LEU 5 9.256 4.529 4.477 27 HD11 LEU 5 HD11 LEU 5 7.506 4.591 2.338 28 HD12 LEU 5 HD12 LEU 5 7.459 2.895 2.819 29 HD13 LEU 5 HD13 LEU 5 8.996 3.650 2.395 30 HD21 LEU 5 HD21 LEU 5 6.974 5.852 3.741 31 HD22 LEU 5 HD22 LEU 5 7.810 6.093 5.275 32 HD23 LEU 5 HD23 LEU 5 6.431 4.996 5.184 33 H ALA 6 HN ALA 6 10.789 2.072 6.701 34 HA ALA 6 HA ALA 6 12.545 3.738 5.010 35 HB1 ALA 6 HB1 ALA 6 12.181 3.783 7.674 36 HB2 ALA 6 HB2 ALA 6 13.708 4.260 6.932 37 HB3 ALA 6 HB3 ALA 6 13.525 2.642 7.609 38 H CGU 7 HN GLA 7 12.294 0.407 6.089 39 HA CGU 7 HA GLA 7 14.998 -0.297 5.266 40 HB2 CGU 7 HB1 GLA 7 14.220 -2.641 5.582 41 HB3 CGU 7 HB2 GLA 7 12.588 -2.049 5.850 42 HG CGU 7 HG GLA 7 13.424 -0.698 7.769 43 H LYS 8 HN LYS 8 11.825 -0.226 3.714 44 HA LYS 8 HA LYS 8 12.747 -1.752 1.396 45 HB2 LYS 8 HB2 LYS 8 10.234 -0.362 2.203 46 HB3 LYS 8 HB1 LYS 8 10.517 -0.575 0.475 47 HG2 LYS 8 HG2 LYS 8 9.264 -2.483 1.463 48 HG3 LYS 8 HG1 LYS 8 10.817 -2.984 0.791 49 HD2 LYS 8 HD2 LYS 8 11.824 -2.885 3.044 50 HD3 LYS 8 HD1 LYS 8 10.270 -2.393 3.716 51 HE2 LYS 8 HE2 LYS 8 10.632 -4.819 4.006 52 HE3 LYS 8 HE1 LYS 8 9.259 -4.506 2.944 53 HZ1 LYS 8 HZ1 LYS 8 10.301 -5.862 1.534 54 HZ2 LYS 8 HZ2 LYS 8 11.778 -5.765 2.367 55 HZ3 LYS 8 HZ3 LYS 8 11.355 -4.567 1.237 56 H ALA 9 HN ALA 9 12.413 1.666 2.265 57 HA ALA 9 HA ALA 9 12.986 2.619 -0.421 58 HB1 ALA 9 HB1 ALA 9 12.050 4.413 0.587 59 HB2 ALA 9 HB2 ALA 9 13.624 4.679 1.337 60 HB3 ALA 9 HB3 ALA 9 12.380 3.769 2.195 61 H ALA 10 HN ALA 10 14.888 2.658 2.623 62 HA ALA 10 HA ALA 10 17.306 3.574 1.476 63 HB1 ALA 10 HB1 ALA 10 18.408 2.686 3.446 64 HB2 ALA 10 HB2 ALA 10 17.057 1.596 3.759 65 HB3 ALA 10 HB3 ALA 10 16.844 3.337 3.937 66 H CGU 11 HN GLA 11 15.860 0.370 1.501 67 HA CGU 11 HA GLA 11 18.289 -0.953 0.570 68 HB2 CGU 11 HB1 GLA 11 15.399 -1.814 0.804 69 HB3 CGU 11 HB2 GLA 11 16.789 -2.409 1.720 70 HG CGU 11 HG GLA 11 17.670 -3.089 -0.686 71 H PHE 12 HN PHE 12 15.151 -0.202 -1.015 72 HA PHE 12 HA PHE 12 15.819 -1.053 -3.627 73 HB2 PHE 12 HB2 PHE 12 13.593 -0.033 -3.336 74 HB3 PHE 12 HB1 PHE 12 14.331 1.560 -2.948 75 HD1 PHE 12 HD1 PHE 12 14.711 -1.067 -5.678 76 HD2 PHE 12 HD2 PHE 12 14.286 3.109 -4.717 77 HE1 PHE 12 HE1 PHE 12 14.777 -0.498 -8.078 78 HE2 PHE 12 HE2 PHE 12 14.354 3.661 -7.120 79 HZ PHE 12 HZ PHE 12 14.598 1.862 -8.803 80 H ALA 13 HN ALA 13 17.045 1.719 -1.865 81 HA ALA 13 HA ALA 13 18.390 2.983 -4.083 82 HB1 ALA 13 HB1 ALA 13 19.492 4.325 -2.507 83 HB2 ALA 13 HB2 ALA 13 19.541 3.043 -1.299 84 HB3 ALA 13 HB3 ALA 13 18.025 3.876 -1.640 85 H ARG 14 HN ARG 14 19.706 0.773 -1.552 86 HA ARG 14 HA ARG 14 22.292 0.461 -2.499 87 HB2 ARG 14 HB2 ARG 14 20.540 -1.844 -1.589 88 HB3 ARG 14 HB1 ARG 14 22.296 -1.739 -1.475 89 HG2 ARG 14 HG2 ARG 14 20.493 0.281 -0.133 90 HG3 ARG 14 HG1 ARG 14 20.963 -1.220 0.663 91 HD2 ARG 14 HD2 ARG 14 23.336 -0.641 0.404 92 HD3 ARG 14 HD1 ARG 14 22.896 0.841 -0.443 93 HE ARG 14 HE ARG 14 22.652 1.797 1.685 94 HH11 ARG 14 HH11 ARG 14 20.974 1.710 3.401 95 HH12 ARG 14 HH12 ARG 14 20.968 0.268 4.359 96 HH21 ARG 14 HH21 ARG 14 23.037 -1.491 2.199 97 HH22 ARG 14 HH22 ARG 14 22.134 -1.547 3.677 98 H CGU 15 HN GLA 15 19.375 -1.192 -3.742 99 HA CGU 15 HA GLA 15 20.934 -2.599 -5.793 100 HB2 CGU 15 HB1 GLA 15 18.957 -3.647 -6.397 101 HB3 CGU 15 HB2 GLA 15 17.969 -2.225 -6.071 102 HG CGU 15 HG GLA 15 18.009 -2.614 -3.724 103 H LEU 16 HN LEU 16 19.474 0.514 -5.473 104 HA LEU 16 HA LEU 16 19.078 1.017 -8.303 105 HB2 LEU 16 HB2 LEU 16 18.056 2.263 -6.256 106 HB3 LEU 16 HB1 LEU 16 19.566 3.174 -6.259 107 HG LEU 16 HG LEU 16 17.872 2.845 -8.743 108 HD11 LEU 16 HD11 LEU 16 17.236 4.339 -6.390 109 HD12 LEU 16 HD12 LEU 16 16.385 4.324 -7.934 110 HD13 LEU 16 HD13 LEU 16 17.684 5.484 -7.655 111 HD21 LEU 16 HD21 LEU 16 19.245 5.263 -8.788 112 HD22 LEU 16 HD22 LEU 16 19.733 3.788 -9.623 113 HD23 LEU 16 HD23 LEU 16 20.391 4.159 -8.030 114 H ALA 17 HN ALA 17 21.741 1.507 -6.023 115 HA ALA 17 HA ALA 17 23.340 3.072 -7.875 116 HB1 ALA 17 HB1 ALA 17 23.538 2.902 -5.280 117 HB2 ALA 17 HB2 ALA 17 25.020 3.015 -6.229 118 HB3 ALA 17 HB3 ALA 17 24.488 1.452 -5.610 119 H ASN 18 HN ASN 18 23.043 -0.353 -7.082 120 HA ASN 18 HA ASN 18 25.383 -1.216 -8.554 121 HB2 ASN 18 HB2 ASN 18 22.971 -2.990 -8.331 122 HB3 ASN 18 HB1 ASN 18 24.677 -3.381 -8.116 123 HD21 ASN 18 HD21 ASN 18 24.626 -0.662 -6.411 124 HD22 ASN 18 HD22 ASN 18 24.119 -1.240 -4.869 125 H TYR 19 HN TYR 19 22.272 -0.115 -9.548 126 HA TYR 19 HA TYR 19 22.631 -1.321 -12.243 127 HB2 TYR 19 HB2 TYR 19 20.421 -1.713 -11.629 128 HB3 TYR 19 HB1 TYR 19 20.299 -0.206 -10.725 129 HD1 TYR 19 HD1 TYR 19 20.406 1.998 -12.066 130 HD2 TYR 19 HD2 TYR 19 19.642 -1.837 -13.838 131 HE1 TYR 19 HE1 TYR 19 19.414 3.113 -14.049 132 HE2 TYR 19 HE2 TYR 19 18.651 -0.723 -15.824 133 HH TYR 19 HH TYR 19 18.672 1.389 -16.944 134 HN1 NH2 20 H1 NH2 20 22.913 1.694 -10.509 135 HN2 NH2 20 H2 NH2 20 23.157 2.697 -11.889 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 8.376 2.567 14.489 2 H2 GLY 1 HT2 GLY 1 7.388 1.746 13.376 3 H3 GLY 1 HT3 GLY 1 6.777 2.177 14.900 4 HA2 GLY 1 HA1 GLY 1 5.873 3.846 13.671 5 HA3 GLY 1 HA2 GLY 1 7.414 4.580 14.113 6 H GLU 2 HN GLU 2 5.723 2.831 11.537 7 HA GLU 2 HA GLU 2 6.228 2.633 9.249 8 HB2 GLU 2 HB2 GLU 2 7.018 5.480 9.904 9 HB3 GLU 2 HB1 GLU 2 7.005 4.852 8.255 10 HG2 GLU 2 HG2 GLU 2 4.627 4.254 8.487 11 HG3 GLU 2 HG1 GLU 2 4.631 4.858 10.143 12 H CGU 3 HN GLA 3 8.184 1.414 10.776 13 HA CGU 3 HA GLA 3 10.823 2.386 9.847 14 HB2 CGU 3 HB1 GLA 3 10.059 -0.072 11.464 15 HB3 CGU 3 HB2 GLA 3 10.593 1.466 12.135 16 HG CGU 3 HG GLA 3 12.214 -0.284 10.256 17 H CGU 4 HN GLA 4 8.410 0.034 9.004 18 HA CGU 4 HA GLA 4 10.143 -1.657 7.425 19 HB2 CGU 4 HB1 GLA 4 7.120 -1.315 7.492 20 HB3 CGU 4 HB2 GLA 4 8.059 -2.576 8.294 21 HG CGU 4 HG GLA 4 7.987 -2.121 5.319 22 H LEU 5 HN LEU 5 8.354 1.304 6.881 23 HA LEU 5 HA LEU 5 8.517 1.137 3.977 24 HB2 LEU 5 HB2 LEU 5 7.861 3.430 5.859 25 HB3 LEU 5 HB1 LEU 5 7.844 3.567 4.109 26 HG LEU 5 HG LEU 5 5.604 3.048 5.291 27 HD11 LEU 5 HD11 LEU 5 6.418 1.091 3.135 28 HD12 LEU 5 HD12 LEU 5 6.175 2.806 2.808 29 HD13 LEU 5 HD13 LEU 5 4.835 1.822 3.398 30 HD21 LEU 5 HD21 LEU 5 6.637 1.233 6.721 31 HD22 LEU 5 HD22 LEU 5 6.773 0.252 5.260 32 HD23 LEU 5 HD23 LEU 5 5.185 0.741 5.849 33 H ALA 6 HN ALA 6 10.529 2.303 6.571 34 HA ALA 6 HA ALA 6 12.223 3.926 4.803 35 HB1 ALA 6 HB1 ALA 6 13.165 4.717 6.712 36 HB2 ALA 6 HB2 ALA 6 13.412 3.098 7.366 37 HB3 ALA 6 HB3 ALA 6 11.845 3.889 7.540 38 H CGU 7 HN GLA 7 12.107 0.620 5.897 39 HA CGU 7 HA GLA 7 14.886 0.059 5.168 40 HB2 CGU 7 HB1 GLA 7 14.230 -2.322 5.533 41 HB3 CGU 7 HB2 GLA 7 12.572 -1.803 5.793 42 HG CGU 7 HG GLA 7 13.485 -0.268 7.624 43 H LYS 8 HN LYS 8 11.745 -0.042 3.582 44 HA LYS 8 HA LYS 8 12.711 -1.636 1.333 45 HB2 LYS 8 HB2 LYS 8 10.205 -0.041 1.852 46 HB3 LYS 8 HB1 LYS 8 10.541 -0.713 0.260 47 HG2 LYS 8 HG2 LYS 8 10.858 -2.960 1.388 48 HG3 LYS 8 HG1 LYS 8 10.236 -2.223 2.866 49 HD2 LYS 8 HD2 LYS 8 8.162 -1.589 1.663 50 HD3 LYS 8 HD1 LYS 8 8.777 -2.384 0.213 51 HE2 LYS 8 HE2 LYS 8 8.878 -4.529 1.423 52 HE3 LYS 8 HE1 LYS 8 8.274 -3.737 2.880 53 HZ1 LYS 8 HZ1 LYS 8 6.865 -4.465 0.439 54 HZ2 LYS 8 HZ2 LYS 8 6.423 -2.988 1.154 55 HZ3 LYS 8 HZ3 LYS 8 6.312 -4.431 2.042 56 H ALA 9 HN ALA 9 12.499 1.792 2.129 57 HA ALA 9 HA ALA 9 13.113 2.648 -0.600 58 HB1 ALA 9 HB1 ALA 9 13.495 4.887 0.598 59 HB2 ALA 9 HB2 ALA 9 12.965 4.066 2.067 60 HB3 ALA 9 HB3 ALA 9 11.867 4.216 0.696 61 H ALA 10 HN ALA 10 14.878 2.733 2.515 62 HA ALA 10 HA ALA 10 17.369 3.579 1.478 63 HB1 ALA 10 HB1 ALA 10 18.308 2.308 3.511 64 HB2 ALA 10 HB2 ALA 10 16.633 1.886 3.868 65 HB3 ALA 10 HB3 ALA 10 17.130 3.578 3.841 66 H CGU 11 HN GLA 11 15.900 0.369 1.566 67 HA CGU 11 HA GLA 11 18.347 -0.984 0.743 68 HB2 CGU 11 HB1 GLA 11 15.443 -1.814 0.893 69 HB3 CGU 11 HB2 GLA 11 16.799 -2.420 1.850 70 HG CGU 11 HG GLA 11 17.742 -3.156 -0.501 71 H PHE 12 HN PHE 12 15.280 -0.256 -0.981 72 HA PHE 12 HA PHE 12 16.081 -1.126 -3.553 73 HB2 PHE 12 HB2 PHE 12 13.828 -0.137 -3.378 74 HB3 PHE 12 HB1 PHE 12 14.521 1.471 -2.971 75 HD1 PHE 12 HD1 PHE 12 15.302 -1.145 -5.614 76 HD2 PHE 12 HD2 PHE 12 14.322 2.966 -4.789 77 HE1 PHE 12 HE1 PHE 12 15.488 -0.610 -8.013 78 HE2 PHE 12 HE2 PHE 12 14.513 3.483 -7.192 79 HZ PHE 12 HZ PHE 12 15.096 1.701 -8.807 80 H ALA 13 HN ALA 13 17.177 1.688 -1.758 81 HA ALA 13 HA ALA 13 18.599 2.990 -3.885 82 HB1 ALA 13 HB1 ALA 13 20.031 3.119 -1.341 83 HB2 ALA 13 HB2 ALA 13 18.309 3.439 -1.136 84 HB3 ALA 13 HB3 ALA 13 19.261 4.417 -2.255 85 H ARG 14 HN ARG 14 19.851 0.709 -1.399 86 HA ARG 14 HA ARG 14 22.443 0.367 -2.313 87 HB2 ARG 14 HB2 ARG 14 20.595 -1.876 -1.441 88 HB3 ARG 14 HB1 ARG 14 22.358 -1.890 -1.373 89 HG2 ARG 14 HG2 ARG 14 20.614 0.103 0.102 90 HG3 ARG 14 HG1 ARG 14 21.285 -1.357 0.830 91 HD2 ARG 14 HD2 ARG 14 23.579 -0.507 0.078 92 HD3 ARG 14 HD1 ARG 14 22.787 1.032 -0.260 93 HE ARG 14 HE ARG 14 22.982 1.426 2.046 94 HH11 ARG 14 HH11 ARG 14 21.384 0.605 3.782 95 HH12 ARG 14 HH12 ARG 14 21.809 -0.955 4.404 96 HH21 ARG 14 HH21 ARG 14 24.001 -1.683 1.816 97 HH22 ARG 14 HH22 ARG 14 23.294 -2.251 3.292 98 H CGU 15 HN GLA 15 19.516 -1.213 -3.612 99 HA CGU 15 HA GLA 15 21.077 -2.595 -5.685 100 HB2 CGU 15 HB1 GLA 15 19.124 -3.689 -6.244 101 HB3 CGU 15 HB2 GLA 15 18.114 -2.273 -5.961 102 HG CGU 15 HG GLA 15 18.159 -2.601 -3.597 103 H LEU 16 HN LEU 16 19.356 0.418 -5.338 104 HA LEU 16 HA LEU 16 18.963 1.021 -8.110 105 HB2 LEU 16 HB2 LEU 16 17.987 2.257 -6.106 106 HB3 LEU 16 HB1 LEU 16 19.560 3.032 -5.925 107 HG LEU 16 HG LEU 16 18.038 3.074 -8.539 108 HD11 LEU 16 HD11 LEU 16 17.954 5.066 -6.254 109 HD12 LEU 16 HD12 LEU 16 16.602 4.115 -6.869 110 HD13 LEU 16 HD13 LEU 16 17.322 5.373 -7.872 111 HD21 LEU 16 HD21 LEU 16 20.571 4.147 -7.506 112 HD22 LEU 16 HD22 LEU 16 19.560 5.375 -8.265 113 HD23 LEU 16 HD23 LEU 16 20.036 3.941 -9.174 114 H ALA 17 HN ALA 17 21.727 1.422 -5.941 115 HA ALA 17 HA ALA 17 23.288 2.969 -7.839 116 HB1 ALA 17 HB1 ALA 17 23.505 2.342 -5.139 117 HB2 ALA 17 HB2 ALA 17 24.716 3.190 -6.100 118 HB3 ALA 17 HB3 ALA 17 24.832 1.444 -5.877 119 H ASN 18 HN ASN 18 22.841 -0.449 -7.164 120 HA ASN 18 HA ASN 18 25.155 -1.282 -8.759 121 HB2 ASN 18 HB2 ASN 18 22.868 -3.153 -8.278 122 HB3 ASN 18 HB1 ASN 18 24.603 -3.442 -8.163 123 HD21 ASN 18 HD21 ASN 18 24.574 -0.703 -6.531 124 HD22 ASN 18 HD22 ASN 18 24.167 -1.243 -4.948 125 H TYR 19 HN TYR 19 22.527 0.294 -9.728 126 HA TYR 19 HA TYR 19 21.903 -1.410 -12.069 127 HB2 TYR 19 HB2 TYR 19 19.907 -0.511 -11.279 128 HB3 TYR 19 HB1 TYR 19 20.667 1.001 -10.785 129 HD1 TYR 19 HD1 TYR 19 19.225 2.535 -11.935 130 HD2 TYR 19 HD2 TYR 19 21.157 -0.654 -14.064 131 HE1 TYR 19 HE1 TYR 19 18.563 3.573 -14.090 132 HE2 TYR 19 HE2 TYR 19 20.495 0.382 -16.221 133 HH TYR 19 HH TYR 19 18.464 3.301 -16.307 134 HN1 NH2 20 H1 NH2 20 22.867 2.032 -11.491 135 HN2 NH2 20 H2 NH2 20 23.736 2.184 -12.970 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 3.763 2.329 13.511 2 H2 GLY 1 HT2 GLY 1 4.511 3.631 12.717 3 H3 GLY 1 HT3 GLY 1 5.366 2.185 12.974 4 HA2 GLY 1 HA1 GLY 1 4.194 1.028 11.367 5 HA3 GLY 1 HA2 GLY 1 2.877 2.201 11.391 6 H GLU 2 HN GLU 2 6.435 2.424 10.997 7 HA GLU 2 HA GLU 2 6.206 3.368 8.263 8 HB2 GLU 2 HB2 GLU 2 5.467 5.364 9.690 9 HB3 GLU 2 HB1 GLU 2 7.129 5.427 10.276 10 HG2 GLU 2 HG2 GLU 2 7.959 5.694 7.988 11 HG3 GLU 2 HG1 GLU 2 6.317 5.557 7.357 12 H CGU 3 HN GLA 3 7.870 2.082 10.828 13 HA CGU 3 HA GLA 3 10.588 2.858 10.042 14 HB2 CGU 3 HB1 GLA 3 9.614 0.604 11.831 15 HB3 CGU 3 HB2 GLA 3 10.053 2.220 12.373 16 HG CGU 3 HG GLA 3 11.913 0.301 10.935 17 H CGU 4 HN GLA 4 8.295 0.407 9.175 18 HA CGU 4 HA GLA 4 10.291 -1.379 7.974 19 HB2 CGU 4 HB1 GLA 4 8.445 -2.749 7.342 20 HB3 CGU 4 HB2 GLA 4 7.312 -1.400 7.442 21 HG CGU 4 HG GLA 4 8.869 -2.388 9.831 22 H LEU 5 HN LEU 5 8.390 1.343 7.072 23 HA LEU 5 HA LEU 5 8.526 0.930 4.200 24 HB2 LEU 5 HB2 LEU 5 6.763 2.375 4.786 25 HB3 LEU 5 HB1 LEU 5 7.711 3.159 6.047 26 HG LEU 5 HG LEU 5 9.052 4.321 4.368 27 HD11 LEU 5 HD11 LEU 5 7.885 2.313 2.628 28 HD12 LEU 5 HD12 LEU 5 9.248 3.387 2.321 29 HD13 LEU 5 HD13 LEU 5 7.605 3.930 1.983 30 HD21 LEU 5 HD21 LEU 5 6.397 4.810 4.984 31 HD22 LEU 5 HD22 LEU 5 6.415 4.898 3.223 32 HD23 LEU 5 HD23 LEU 5 7.479 5.939 4.169 33 H ALA 6 HN ALA 6 10.456 2.654 6.611 34 HA ALA 6 HA ALA 6 12.177 3.957 4.671 35 HB1 ALA 6 HB1 ALA 6 13.190 4.910 6.472 36 HB2 ALA 6 HB2 ALA 6 13.403 3.361 7.287 37 HB3 ALA 6 HB3 ALA 6 11.860 4.208 7.394 38 H CGU 7 HN GLA 7 12.384 0.908 6.496 39 HA CGU 7 HA GLA 7 15.027 0.228 5.640 40 HB2 CGU 7 HB1 GLA 7 14.440 -2.077 6.281 41 HB3 CGU 7 HB2 GLA 7 12.740 -1.631 6.363 42 HG CGU 7 HG GLA 7 13.320 0.067 8.108 43 H LYS 8 HN LYS 8 11.896 -0.032 4.049 44 HA LYS 8 HA LYS 8 12.858 -1.844 1.981 45 HB2 LYS 8 HB2 LYS 8 10.415 -0.065 2.156 46 HB3 LYS 8 HB1 LYS 8 10.747 -1.112 0.782 47 HG2 LYS 8 HG2 LYS 8 10.734 -2.217 3.585 48 HG3 LYS 8 HG1 LYS 8 9.230 -2.033 2.682 49 HD2 LYS 8 HD2 LYS 8 10.236 -3.376 0.824 50 HD3 LYS 8 HD1 LYS 8 11.655 -3.647 1.834 51 HE2 LYS 8 HE2 LYS 8 10.101 -5.546 2.011 52 HE3 LYS 8 HE1 LYS 8 10.226 -4.701 3.554 53 HZ1 LYS 8 HZ1 LYS 8 8.215 -3.416 2.839 54 HZ2 LYS 8 HZ2 LYS 8 7.945 -5.062 3.160 55 HZ3 LYS 8 HZ3 LYS 8 8.046 -4.512 1.556 56 H ALA 9 HN ALA 9 12.840 1.622 2.477 57 HA ALA 9 HA ALA 9 13.502 2.213 -0.320 58 HB1 ALA 9 HB1 ALA 9 13.982 4.524 0.662 59 HB2 ALA 9 HB2 ALA 9 13.447 3.875 2.212 60 HB3 ALA 9 HB3 ALA 9 12.327 3.946 0.851 61 H ALA 10 HN ALA 10 15.189 1.785 2.752 62 HA ALA 10 HA ALA 10 17.759 2.708 1.887 63 HB1 ALA 10 HB1 ALA 10 18.531 1.910 3.909 64 HB2 ALA 10 HB2 ALA 10 17.592 0.422 3.799 65 HB3 ALA 10 HB3 ALA 10 16.806 1.927 4.272 66 H CGU 11 HN GLA 11 16.018 -0.307 1.432 67 HA CGU 11 HA GLA 11 18.398 -1.697 0.413 68 HB2 CGU 11 HB1 GLA 11 15.461 -2.437 0.537 69 HB3 CGU 11 HB2 GLA 11 16.791 -3.152 1.455 70 HG CGU 11 HG GLA 11 17.709 -3.626 -1.026 71 H PHE 12 HN PHE 12 15.264 -0.680 -1.061 72 HA PHE 12 HA PHE 12 15.918 -1.228 -3.744 73 HB2 PHE 12 HB2 PHE 12 14.618 1.428 -2.942 74 HB3 PHE 12 HB1 PHE 12 14.374 0.496 -4.445 75 HD1 PHE 12 HD1 PHE 12 14.120 -2.309 -3.247 76 HD2 PHE 12 HD2 PHE 12 12.387 1.438 -2.027 77 HE1 PHE 12 HE1 PHE 12 12.239 -3.510 -2.203 78 HE2 PHE 12 HE2 PHE 12 10.510 0.221 -0.985 79 HZ PHE 12 HZ PHE 12 10.433 -2.252 -1.073 80 H ALA 13 HN ALA 13 17.196 1.251 -1.630 81 HA ALA 13 HA ALA 13 18.530 2.803 -3.674 82 HB1 ALA 13 HB1 ALA 13 20.052 3.526 -1.770 83 HB2 ALA 13 HB2 ALA 13 19.145 2.433 -0.725 84 HB3 ALA 13 HB3 ALA 13 18.333 3.800 -1.487 85 H ARG 14 HN ARG 14 19.839 0.288 -1.452 86 HA ARG 14 HA ARG 14 22.412 0.054 -2.431 87 HB2 ARG 14 HB2 ARG 14 20.589 -2.278 -1.764 88 HB3 ARG 14 HB1 ARG 14 22.352 -2.274 -1.698 89 HG2 ARG 14 HG2 ARG 14 20.620 -0.401 -0.064 90 HG3 ARG 14 HG1 ARG 14 21.214 -1.948 0.541 91 HD2 ARG 14 HD2 ARG 14 22.839 -0.416 1.290 92 HD3 ARG 14 HD1 ARG 14 23.556 -1.083 -0.176 93 HE ARG 14 HE ARG 14 22.063 1.224 -0.906 94 HH11 ARG 14 HH11 ARG 14 25.058 0.089 0.281 95 HH12 ARG 14 HH12 ARG 14 25.805 1.651 0.315 96 HH21 ARG 14 HH21 ARG 14 22.920 3.345 -0.594 97 HH22 ARG 14 HH22 ARG 14 24.595 3.494 -0.180 98 H CGU 15 HN GLA 15 19.483 -1.440 -3.841 99 HA CGU 15 HA GLA 15 21.015 -2.643 -6.031 100 HB2 CGU 15 HB1 GLA 15 19.017 -3.571 -6.759 101 HB3 CGU 15 HB2 GLA 15 18.054 -2.182 -6.260 102 HG CGU 15 HG GLA 15 18.130 -2.842 -3.966 103 H LEU 16 HN LEU 16 19.619 0.455 -5.413 104 HA LEU 16 HA LEU 16 19.188 1.264 -8.144 105 HB2 LEU 16 HB2 LEU 16 18.406 2.404 -5.930 106 HB3 LEU 16 HB1 LEU 16 19.993 3.176 -5.958 107 HG LEU 16 HG LEU 16 18.043 3.241 -8.277 108 HD11 LEU 16 HD11 LEU 16 17.154 4.450 -6.307 109 HD12 LEU 16 HD12 LEU 16 17.599 5.564 -7.599 110 HD13 LEU 16 HD13 LEU 16 18.657 5.368 -6.202 111 HD21 LEU 16 HD21 LEU 16 19.720 5.359 -8.571 112 HD22 LEU 16 HD22 LEU 16 20.025 3.779 -9.292 113 HD23 LEU 16 HD23 LEU 16 20.801 4.218 -7.771 114 H ALA 17 HN ALA 17 21.983 1.431 -5.958 115 HA ALA 17 HA ALA 17 23.666 2.993 -7.662 116 HB1 ALA 17 HB1 ALA 17 24.697 0.806 -5.859 117 HB2 ALA 17 HB2 ALA 17 24.023 2.292 -5.190 118 HB3 ALA 17 HB3 ALA 17 25.441 2.359 -6.237 119 H ASN 18 HN ASN 18 22.822 -0.410 -7.639 120 HA ASN 18 HA ASN 18 24.963 -1.292 -9.391 121 HB2 ASN 18 HB2 ASN 18 22.267 -2.640 -9.378 122 HB3 ASN 18 HB1 ASN 18 23.876 -3.355 -9.455 123 HD21 ASN 18 HD21 ASN 18 24.395 -1.138 -7.157 124 HD22 ASN 18 HD22 ASN 18 23.928 -2.016 -5.751 125 H TYR 19 HN TYR 19 22.267 0.686 -9.949 126 HA TYR 19 HA TYR 19 21.948 -0.120 -12.767 127 HB2 TYR 19 HB2 TYR 19 19.886 0.521 -11.875 128 HB3 TYR 19 HB1 TYR 19 20.591 1.833 -10.929 129 HD1 TYR 19 HD1 TYR 19 20.920 0.910 -14.543 130 HD2 TYR 19 HD2 TYR 19 19.669 3.846 -11.668 131 HE1 TYR 19 HE1 TYR 19 20.426 2.501 -16.384 132 HE2 TYR 19 HE2 TYR 19 19.173 5.438 -13.508 133 HH TYR 19 HH TYR 19 20.303 5.102 -16.581 134 HN1 NH2 20 H1 NH2 20 23.580 2.371 -10.858 135 HN2 NH2 20 H2 NH2 20 24.267 3.203 -12.200 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 5.658 8.465 7.946 2 H2 GLY 1 HT2 GLY 1 5.131 7.136 8.864 3 H3 GLY 1 HT3 GLY 1 6.152 6.897 7.526 4 HA2 GLY 1 HA1 GLY 1 7.995 7.838 8.600 5 HA3 GLY 1 HA2 GLY 1 6.972 8.507 9.871 6 H GLU 2 HN GLU 2 6.909 5.236 8.456 7 HA GLU 2 HA GLU 2 7.074 4.133 11.199 8 HB2 GLU 2 HB2 GLU 2 6.605 2.727 8.550 9 HB3 GLU 2 HB1 GLU 2 6.431 2.009 10.152 10 HG2 GLU 2 HG2 GLU 2 4.853 4.412 9.194 11 HG3 GLU 2 HG1 GLU 2 4.253 2.753 9.148 12 H CGU 3 HN GLA 3 8.272 1.687 10.734 13 HA CGU 3 HA GLA 3 11.063 2.513 10.046 14 HB2 CGU 3 HB1 GLA 3 10.092 0.247 11.819 15 HB3 CGU 3 HB2 GLA 3 10.734 1.786 12.385 16 HG CGU 3 HG GLA 3 12.240 -0.204 10.657 17 H CGU 4 HN GLA 4 8.487 0.300 9.317 18 HA CGU 4 HA GLA 4 10.180 -1.581 7.839 19 HB2 CGU 4 HB1 GLA 4 8.155 -2.710 7.270 20 HB3 CGU 4 HB2 GLA 4 7.182 -1.266 7.549 21 HG CGU 4 HG GLA 4 8.805 -2.558 9.740 22 H LEU 5 HN LEU 5 8.523 1.375 7.227 23 HA LEU 5 HA LEU 5 8.482 1.082 4.320 24 HB2 LEU 5 HB2 LEU 5 6.784 2.532 5.110 25 HB3 LEU 5 HB1 LEU 5 7.855 3.275 6.295 26 HG LEU 5 HG LEU 5 9.108 4.376 4.478 27 HD11 LEU 5 HD11 LEU 5 6.947 3.309 2.640 28 HD12 LEU 5 HD12 LEU 5 8.557 2.601 2.750 29 HD13 LEU 5 HD13 LEU 5 8.361 4.259 2.183 30 HD21 LEU 5 HD21 LEU 5 7.481 6.053 4.023 31 HD22 LEU 5 HD22 LEU 5 7.008 5.356 5.572 32 HD23 LEU 5 HD23 LEU 5 6.155 4.891 4.100 33 H ALA 6 HN ALA 6 10.704 2.221 6.742 34 HA ALA 6 HA ALA 6 12.350 3.693 4.790 35 HB1 ALA 6 HB1 ALA 6 12.807 4.742 6.756 36 HB2 ALA 6 HB2 ALA 6 13.951 3.422 7.001 37 HB3 ALA 6 HB3 ALA 6 12.344 3.339 7.721 38 H CGU 7 HN GLA 7 12.209 0.494 6.195 39 HA CGU 7 HA GLA 7 14.920 -0.224 5.394 40 HB2 CGU 7 HB1 GLA 7 14.238 -2.525 5.993 41 HB3 CGU 7 HB2 GLA 7 12.575 -1.989 6.173 42 HG CGU 7 HG GLA 7 13.425 -0.318 7.894 43 H LYS 8 HN LYS 8 11.712 -0.360 3.928 44 HA LYS 8 HA LYS 8 12.556 -2.127 1.768 45 HB2 LYS 8 HB2 LYS 8 10.096 -0.640 2.515 46 HB3 LYS 8 HB1 LYS 8 10.323 -0.952 0.795 47 HG2 LYS 8 HG2 LYS 8 9.079 -2.791 1.850 48 HG3 LYS 8 HG1 LYS 8 10.650 -3.353 1.278 49 HD2 LYS 8 HD2 LYS 8 11.569 -3.111 3.554 50 HD3 LYS 8 HD1 LYS 8 9.999 -2.547 4.126 51 HE2 LYS 8 HE2 LYS 8 10.584 -5.267 2.923 52 HE3 LYS 8 HE1 LYS 8 10.244 -4.932 4.621 53 HZ1 LYS 8 HZ1 LYS 8 8.112 -3.852 3.632 54 HZ2 LYS 8 HZ2 LYS 8 8.187 -5.533 3.858 55 HZ3 LYS 8 HZ3 LYS 8 8.429 -4.869 2.313 56 H ALA 9 HN ALA 9 12.256 1.380 2.235 57 HA ALA 9 HA ALA 9 12.890 1.962 -0.558 58 HB1 ALA 9 HB1 ALA 9 13.413 4.229 1.067 59 HB2 ALA 9 HB2 ALA 9 11.999 3.429 1.752 60 HB3 ALA 9 HB3 ALA 9 11.994 3.932 0.062 61 H ALA 10 HN ALA 10 14.649 1.970 2.534 62 HA ALA 10 HA ALA 10 17.094 3.052 1.580 63 HB1 ALA 10 HB1 ALA 10 16.415 2.487 4.004 64 HB2 ALA 10 HB2 ALA 10 18.091 2.181 3.552 65 HB3 ALA 10 HB3 ALA 10 16.943 0.845 3.638 66 H CGU 11 HN GLA 11 15.746 -0.204 1.344 67 HA CGU 11 HA GLA 11 18.245 -1.338 0.327 68 HB2 CGU 11 HB1 GLA 11 15.402 -2.384 0.452 69 HB3 CGU 11 HB2 GLA 11 16.791 -2.921 1.405 70 HG CGU 11 HG GLA 11 17.740 -3.338 -1.108 71 H PHE 12 HN PHE 12 15.059 -0.592 -1.195 72 HA PHE 12 HA PHE 12 15.778 -1.178 -3.866 73 HB2 PHE 12 HB2 PHE 12 14.261 1.384 -3.170 74 HB3 PHE 12 HB1 PHE 12 14.083 0.353 -4.620 75 HD1 PHE 12 HD1 PHE 12 14.153 -2.377 -3.112 76 HD2 PHE 12 HD2 PHE 12 11.952 1.252 -2.390 77 HE1 PHE 12 HE1 PHE 12 12.386 -3.665 -1.974 78 HE2 PHE 12 HE2 PHE 12 10.193 -0.051 -1.253 79 HZ PHE 12 HZ PHE 12 10.405 -2.509 -1.043 80 H ALA 13 HN ALA 13 16.861 1.430 -1.807 81 HA ALA 13 HA ALA 13 18.005 3.070 -3.901 82 HB1 ALA 13 HB1 ALA 13 19.035 4.323 -2.204 83 HB2 ALA 13 HB2 ALA 13 19.216 2.924 -1.146 84 HB3 ALA 13 HB3 ALA 13 17.628 3.658 -1.374 85 H ARG 14 HN ARG 14 19.625 0.788 -1.629 86 HA ARG 14 HA ARG 14 22.181 0.821 -2.706 87 HB2 ARG 14 HB2 ARG 14 20.542 -1.329 -1.428 88 HB3 ARG 14 HB1 ARG 14 22.047 -1.806 -2.215 89 HG2 ARG 14 HG2 ARG 14 22.614 -1.313 0.056 90 HG3 ARG 14 HG1 ARG 14 23.179 0.057 -0.898 91 HD2 ARG 14 HD2 ARG 14 21.151 1.319 -0.318 92 HD3 ARG 14 HD1 ARG 14 20.548 -0.057 0.608 93 HE ARG 14 HE ARG 14 23.155 0.697 1.557 94 HH11 ARG 14 HH11 ARG 14 23.323 2.052 3.367 95 HH12 ARG 14 HH12 ARG 14 21.883 2.728 4.054 96 HH21 ARG 14 HH21 ARG 14 19.785 1.389 1.638 97 HH22 ARG 14 HH22 ARG 14 19.880 2.356 3.072 98 H CGU 15 HN GLA 15 19.358 -0.903 -4.020 99 HA CGU 15 HA GLA 15 20.801 -2.330 -6.069 100 HB2 CGU 15 HB1 GLA 15 18.727 -2.890 -6.983 101 HB3 CGU 15 HB2 GLA 15 17.991 -1.351 -6.549 102 HG CGU 15 HG GLA 15 17.793 -1.989 -4.257 103 H LEU 16 HN LEU 16 19.065 0.806 -6.209 104 HA LEU 16 HA LEU 16 19.519 1.431 -8.900 105 HB2 LEU 16 HB2 LEU 16 18.240 2.800 -7.165 106 HB3 LEU 16 HB1 LEU 16 19.799 3.455 -6.667 107 HG LEU 16 HG LEU 16 18.869 3.525 -9.543 108 HD11 LEU 16 HD11 LEU 16 17.404 5.155 -9.038 109 HD12 LEU 16 HD12 LEU 16 18.708 6.100 -8.319 110 HD13 LEU 16 HD13 LEU 16 17.782 4.975 -7.324 111 HD21 LEU 16 HD21 LEU 16 21.215 4.415 -8.026 112 HD22 LEU 16 HD22 LEU 16 20.490 5.710 -8.975 113 HD23 LEU 16 HD23 LEU 16 21.013 4.225 -9.768 114 H ALA 17 HN ALA 17 21.780 1.601 -6.189 115 HA ALA 17 HA ALA 17 23.838 3.005 -7.670 116 HB1 ALA 17 HB1 ALA 17 24.995 2.960 -5.710 117 HB2 ALA 17 HB2 ALA 17 24.687 1.242 -5.455 118 HB3 ALA 17 HB3 ALA 17 23.457 2.431 -5.029 119 H ASN 18 HN ASN 18 22.922 -0.358 -7.297 120 HA ASN 18 HA ASN 18 25.442 -1.316 -8.500 121 HB2 ASN 18 HB2 ASN 18 23.056 -3.105 -8.291 122 HB3 ASN 18 HB1 ASN 18 24.751 -3.444 -7.949 123 HD21 ASN 18 HD21 ASN 18 24.621 -0.692 -6.361 124 HD22 ASN 18 HD22 ASN 18 23.989 -1.193 -4.840 125 H TYR 19 HN TYR 19 23.197 0.423 -9.875 126 HA TYR 19 HA TYR 19 22.631 -1.337 -12.185 127 HB2 TYR 19 HB2 TYR 19 20.717 -0.098 -11.648 128 HB3 TYR 19 HB1 TYR 19 21.646 1.352 -11.265 129 HD1 TYR 19 HD1 TYR 19 21.136 -0.978 -14.158 130 HD2 TYR 19 HD2 TYR 19 21.599 3.074 -12.817 131 HE1 TYR 19 HE1 TYR 19 20.838 -0.176 -16.489 132 HE2 TYR 19 HE2 TYR 19 21.301 3.881 -15.148 133 HH TYR 19 HH TYR 19 19.944 2.405 -17.442 134 HN1 NH2 20 H1 NH2 20 25.029 0.884 -11.196 135 HN2 NH2 20 H2 NH2 20 25.656 1.266 -12.755 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 4.966 0.551 11.569 2 H2 GLY 1 HT2 GLY 1 3.890 -0.668 11.077 3 H3 GLY 1 HT3 GLY 1 3.575 0.955 10.685 4 HA2 GLY 1 HA1 GLY 1 5.744 -0.767 9.625 5 HA3 GLY 1 HA2 GLY 1 4.393 -0.075 8.728 6 H GLU 2 HN GLU 2 5.837 1.885 11.189 7 HA GLU 2 HA GLU 2 6.633 3.867 9.202 8 HB2 GLU 2 HB2 GLU 2 7.288 5.217 11.138 9 HB3 GLU 2 HB1 GLU 2 5.708 4.489 11.433 10 HG2 GLU 2 HG2 GLU 2 6.889 4.085 13.438 11 HG3 GLU 2 HG1 GLU 2 7.029 2.564 12.554 12 H CGU 3 HN GLA 3 8.113 1.144 10.582 13 HA CGU 3 HA GLA 3 10.839 2.245 10.038 14 HB2 CGU 3 HB1 GLA 3 10.022 -0.209 11.628 15 HB3 CGU 3 HB2 GLA 3 10.475 1.346 12.318 16 HG CGU 3 HG GLA 3 12.254 -0.359 10.549 17 H CGU 4 HN GLA 4 8.499 -0.147 9.086 18 HA CGU 4 HA GLA 4 10.383 -1.759 7.565 19 HB2 CGU 4 HB1 GLA 4 7.345 -1.666 7.617 20 HB3 CGU 4 HB2 GLA 4 8.376 -2.829 8.455 21 HG CGU 4 HG GLA 4 8.264 -2.436 5.471 22 H LEU 5 HN LEU 5 8.404 1.067 7.009 23 HA LEU 5 HA LEU 5 8.450 0.881 4.113 24 HB2 LEU 5 HB2 LEU 5 6.698 2.267 4.863 25 HB3 LEU 5 HB1 LEU 5 7.679 2.949 6.155 26 HG LEU 5 HG LEU 5 8.986 4.229 4.506 27 HD11 LEU 5 HD11 LEU 5 8.568 4.167 2.189 28 HD12 LEU 5 HD12 LEU 5 6.990 3.409 2.402 29 HD13 LEU 5 HD13 LEU 5 8.459 2.471 2.648 30 HD21 LEU 5 HD21 LEU 5 7.042 5.306 5.479 31 HD22 LEU 5 HD22 LEU 5 5.977 4.523 4.312 32 HD23 LEU 5 HD23 LEU 5 7.129 5.747 3.774 33 H ALA 6 HN ALA 6 10.578 2.095 6.591 34 HA ALA 6 HA ALA 6 12.194 3.693 4.735 35 HB1 ALA 6 HB1 ALA 6 13.248 4.472 6.591 36 HB2 ALA 6 HB2 ALA 6 13.516 2.849 7.225 37 HB3 ALA 6 HB3 ALA 6 11.969 3.653 7.490 38 H CGU 7 HN GLA 7 12.391 0.461 6.204 39 HA CGU 7 HA GLA 7 15.012 -0.153 5.224 40 HB2 CGU 7 HB1 GLA 7 14.401 -2.507 5.604 41 HB3 CGU 7 HB2 GLA 7 12.708 -2.055 5.770 42 HG CGU 7 HG GLA 7 13.347 -0.582 7.694 43 H LYS 8 HN LYS 8 11.843 -0.164 3.709 44 HA LYS 8 HA LYS 8 12.777 -1.682 1.380 45 HB2 LYS 8 HB2 LYS 8 10.234 -0.148 1.952 46 HB3 LYS 8 HB1 LYS 8 10.538 -0.975 0.425 47 HG2 LYS 8 HG2 LYS 8 11.027 -3.062 1.857 48 HG3 LYS 8 HG1 LYS 8 10.263 -2.180 3.180 49 HD2 LYS 8 HD2 LYS 8 8.948 -2.646 0.490 50 HD3 LYS 8 HD1 LYS 8 8.686 -3.672 1.901 51 HE2 LYS 8 HE2 LYS 8 7.871 -1.716 3.170 52 HE3 LYS 8 HE1 LYS 8 8.122 -0.695 1.754 53 HZ1 LYS 8 HZ1 LYS 8 6.376 -3.091 1.759 54 HZ2 LYS 8 HZ2 LYS 8 6.505 -1.909 0.545 55 HZ3 LYS 8 HZ3 LYS 8 5.807 -1.518 2.045 56 H ALA 9 HN ALA 9 12.565 1.685 2.336 57 HA ALA 9 HA ALA 9 12.942 2.667 -0.399 58 HB1 ALA 9 HB1 ALA 9 13.516 4.482 1.862 59 HB2 ALA 9 HB2 ALA 9 11.892 3.795 1.855 60 HB3 ALA 9 HB3 ALA 9 12.464 4.720 0.466 61 H ALA 10 HN ALA 10 14.896 2.780 2.606 62 HA ALA 10 HA ALA 10 17.267 3.768 1.421 63 HB1 ALA 10 HB1 ALA 10 17.063 1.826 3.741 64 HB2 ALA 10 HB2 ALA 10 16.881 3.574 3.877 65 HB3 ALA 10 HB3 ALA 10 18.427 2.883 3.382 66 H CGU 11 HN GLA 11 16.108 0.420 1.753 67 HA CGU 11 HA GLA 11 18.519 -0.767 0.685 68 HB2 CGU 11 HB1 GLA 11 15.675 -1.763 0.980 69 HB3 CGU 11 HB2 GLA 11 17.112 -2.301 1.858 70 HG CGU 11 HG GLA 11 17.953 -2.927 -0.582 71 H PHE 12 HN PHE 12 15.339 -0.094 -0.832 72 HA PHE 12 HA PHE 12 15.974 -0.920 -3.465 73 HB2 PHE 12 HB2 PHE 12 13.727 0.053 -3.103 74 HB3 PHE 12 HB1 PHE 12 14.448 1.661 -2.750 75 HD1 PHE 12 HD1 PHE 12 15.806 2.823 -4.614 76 HD2 PHE 12 HD2 PHE 12 13.318 -0.608 -5.377 77 HE1 PHE 12 HE1 PHE 12 15.796 3.352 -7.023 78 HE2 PHE 12 HE2 PHE 12 13.319 -0.065 -7.781 79 HZ PHE 12 HZ PHE 12 14.555 1.914 -8.609 80 H ALA 13 HN ALA 13 17.166 1.858 -1.686 81 HA ALA 13 HA ALA 13 18.412 3.238 -3.869 82 HB1 ALA 13 HB1 ALA 13 19.668 4.437 -2.258 83 HB2 ALA 13 HB2 ALA 13 19.660 3.091 -1.120 84 HB3 ALA 13 HB3 ALA 13 18.186 4.018 -1.400 85 H ARG 14 HN ARG 14 19.884 0.907 -1.550 86 HA ARG 14 HA ARG 14 22.397 0.639 -2.699 87 HB2 ARG 14 HB2 ARG 14 20.705 -1.695 -1.754 88 HB3 ARG 14 HB1 ARG 14 22.467 -1.611 -1.786 89 HG2 ARG 14 HG2 ARG 14 20.769 0.322 -0.192 90 HG3 ARG 14 HG1 ARG 14 21.389 -1.184 0.484 91 HD2 ARG 14 HD2 ARG 14 23.701 -0.456 -0.149 92 HD3 ARG 14 HD1 ARG 14 23.031 1.095 -0.657 93 HE ARG 14 HE ARG 14 23.106 1.685 1.612 94 HH11 ARG 14 HH11 ARG 14 21.022 0.661 2.968 95 HH12 ARG 14 HH12 ARG 14 21.587 -0.684 3.903 96 HH21 ARG 14 HH21 ARG 14 24.505 -1.071 2.070 97 HH22 ARG 14 HH22 ARG 14 23.557 -1.665 3.392 98 H CGU 15 HN GLA 15 19.398 -1.000 -3.743 99 HA CGU 15 HA GLA 15 20.667 -2.443 -5.917 100 HB2 CGU 15 HB1 GLA 15 18.523 -3.094 -6.590 101 HB3 CGU 15 HB2 GLA 15 17.779 -1.584 -6.072 102 HG CGU 15 HG GLA 15 17.915 -2.222 -3.762 103 H LEU 16 HN LEU 16 19.677 0.847 -5.518 104 HA LEU 16 HA LEU 16 19.346 1.467 -8.327 105 HB2 LEU 16 HB2 LEU 16 18.606 2.819 -6.200 106 HB3 LEU 16 HB1 LEU 16 20.231 3.497 -6.293 107 HG LEU 16 HG LEU 16 18.279 3.464 -8.612 108 HD11 LEU 16 HD11 LEU 16 19.032 5.766 -6.785 109 HD12 LEU 16 HD12 LEU 16 17.507 4.885 -6.703 110 HD13 LEU 16 HD13 LEU 16 17.905 5.826 -8.140 111 HD21 LEU 16 HD21 LEU 16 20.079 5.462 -9.065 112 HD22 LEU 16 HD22 LEU 16 20.264 3.823 -9.686 113 HD23 LEU 16 HD23 LEU 16 21.092 4.302 -8.204 114 H ALA 17 HN ALA 17 22.076 1.271 -6.135 115 HA ALA 17 HA ALA 17 23.907 2.638 -7.968 116 HB1 ALA 17 HB1 ALA 17 25.363 1.089 -6.091 117 HB2 ALA 17 HB2 ALA 17 23.951 1.712 -5.239 118 HB3 ALA 17 HB3 ALA 17 25.058 2.825 -6.041 119 H ASN 18 HN ASN 18 22.877 -0.641 -7.326 120 HA ASN 18 HA ASN 18 25.109 -1.845 -8.806 121 HB2 ASN 18 HB2 ASN 18 22.575 -3.368 -8.373 122 HB3 ASN 18 HB1 ASN 18 24.248 -3.878 -8.158 123 HD21 ASN 18 HD21 ASN 18 24.531 -1.122 -6.594 124 HD22 ASN 18 HD22 ASN 18 23.966 -1.549 -5.024 125 H TYR 19 HN TYR 19 22.549 -0.036 -9.818 126 HA TYR 19 HA TYR 19 22.106 -1.646 -12.283 127 HB2 TYR 19 HB2 TYR 19 20.006 -1.051 -11.440 128 HB3 TYR 19 HB1 TYR 19 20.569 0.525 -10.883 129 HD1 TYR 19 HD1 TYR 19 20.547 -1.363 -14.124 130 HD2 TYR 19 HD2 TYR 19 19.734 2.320 -12.075 131 HE1 TYR 19 HE1 TYR 19 19.798 -0.344 -16.260 132 HE2 TYR 19 HE2 TYR 19 18.983 3.343 -14.210 133 HH TYR 19 HH TYR 19 19.425 1.725 -17.273 134 HN1 NH2 20 H1 NH2 20 22.765 1.769 -11.296 135 HN2 NH2 20 H2 NH2 20 23.601 2.178 -12.745 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 4.510 1.352 14.298 2 H2 GLY 1 HT2 GLY 1 5.270 0.266 13.235 3 H3 GLY 1 HT3 GLY 1 4.217 1.455 12.631 4 HA2 GLY 1 HA1 GLY 1 5.798 3.155 13.591 5 HA3 GLY 1 HA2 GLY 1 6.924 1.810 13.769 6 H GLU 2 HN GLU 2 6.786 4.258 11.900 7 HA GLU 2 HA GLU 2 6.522 3.063 9.242 8 HB2 GLU 2 HB2 GLU 2 7.507 5.766 10.194 9 HB3 GLU 2 HB1 GLU 2 7.415 5.308 8.493 10 HG2 GLU 2 HG2 GLU 2 5.390 6.542 9.198 11 HG3 GLU 2 HG1 GLU 2 5.001 4.889 8.722 12 H CGU 3 HN GLA 3 8.445 1.749 10.944 13 HA CGU 3 HA GLA 3 11.103 2.605 9.965 14 HB2 CGU 3 HB1 GLA 3 10.282 0.222 11.662 15 HB3 CGU 3 HB2 GLA 3 10.861 1.766 12.280 16 HG CGU 3 HG GLA 3 12.407 -0.145 10.499 17 H CGU 4 HN GLA 4 8.624 0.310 9.192 18 HA CGU 4 HA GLA 4 10.360 -1.452 7.643 19 HB2 CGU 4 HB1 GLA 4 8.338 -2.575 6.975 20 HB3 CGU 4 HB2 GLA 4 7.347 -1.186 7.427 21 HG CGU 4 HG GLA 4 9.109 -2.564 9.437 22 H LEU 5 HN LEU 5 8.595 1.469 7.099 23 HA LEU 5 HA LEU 5 8.571 1.290 4.197 24 HB2 LEU 5 HB2 LEU 5 8.215 3.642 6.083 25 HB3 LEU 5 HB1 LEU 5 8.036 3.741 4.337 26 HG LEU 5 HG LEU 5 6.309 1.918 4.471 27 HD11 LEU 5 HD11 LEU 5 7.080 2.161 7.328 28 HD12 LEU 5 HD12 LEU 5 6.493 0.757 6.436 29 HD13 LEU 5 HD13 LEU 5 5.356 1.982 7.002 30 HD21 LEU 5 HD21 LEU 5 5.581 4.230 4.297 31 HD22 LEU 5 HD22 LEU 5 5.838 4.482 6.024 32 HD23 LEU 5 HD23 LEU 5 4.548 3.414 5.471 33 H ALA 6 HN ALA 6 10.856 2.320 6.613 34 HA ALA 6 HA ALA 6 12.510 3.794 4.670 35 HB1 ALA 6 HB1 ALA 6 13.346 2.951 7.454 36 HB2 ALA 6 HB2 ALA 6 12.354 4.379 7.159 37 HB3 ALA 6 HB3 ALA 6 13.982 4.282 6.488 38 H CGU 7 HN GLA 7 12.413 0.588 6.133 39 HA CGU 7 HA GLA 7 15.071 -0.148 5.216 40 HB2 CGU 7 HB1 GLA 7 14.423 -2.439 5.839 41 HB3 CGU 7 HB2 GLA 7 12.754 -1.927 6.035 42 HG CGU 7 HG GLA 7 13.498 -0.310 7.784 43 H LYS 8 HN LYS 8 11.842 -0.231 3.824 44 HA LYS 8 HA LYS 8 12.610 -2.004 1.640 45 HB2 LYS 8 HB2 LYS 8 10.189 -0.508 2.469 46 HB3 LYS 8 HB1 LYS 8 10.371 -0.760 0.734 47 HG2 LYS 8 HG2 LYS 8 9.168 -2.654 1.574 48 HG3 LYS 8 HG1 LYS 8 10.811 -3.206 1.251 49 HD2 LYS 8 HD2 LYS 8 11.386 -2.930 3.626 50 HD3 LYS 8 HD1 LYS 8 9.754 -2.350 3.959 51 HE2 LYS 8 HE2 LYS 8 10.388 -5.075 2.796 52 HE3 LYS 8 HE1 LYS 8 10.055 -4.774 4.502 53 HZ1 LYS 8 HZ1 LYS 8 8.115 -3.684 2.649 54 HZ2 LYS 8 HZ2 LYS 8 7.878 -4.497 4.121 55 HZ3 LYS 8 HZ3 LYS 8 8.181 -5.378 2.700 56 H ALA 9 HN ALA 9 12.359 1.504 2.137 57 HA ALA 9 HA ALA 9 12.999 2.074 -0.665 58 HB1 ALA 9 HB1 ALA 9 11.729 3.795 0.279 59 HB2 ALA 9 HB2 ALA 9 13.362 4.445 0.416 60 HB3 ALA 9 HB3 ALA 9 12.584 3.715 1.819 61 H ALA 10 HN ALA 10 14.695 2.010 2.446 62 HA ALA 10 HA ALA 10 17.176 3.094 1.509 63 HB1 ALA 10 HB1 ALA 10 18.102 1.714 3.500 64 HB2 ALA 10 HB2 ALA 10 16.418 1.303 3.816 65 HB3 ALA 10 HB3 ALA 10 16.936 2.987 3.858 66 H CGU 11 HN GLA 11 15.717 -0.073 1.256 67 HA CGU 11 HA GLA 11 18.248 -1.345 0.449 68 HB2 CGU 11 HB1 GLA 11 15.401 -2.405 0.265 69 HB3 CGU 11 HB2 GLA 11 16.537 -2.740 1.579 70 HG CGU 11 HG GLA 11 17.298 -3.351 -1.274 71 H PHE 12 HN PHE 12 15.159 -0.494 -1.188 72 HA PHE 12 HA PHE 12 15.901 -1.193 -3.825 73 HB2 PHE 12 HB2 PHE 12 14.548 1.483 -3.231 74 HB3 PHE 12 HB1 PHE 12 14.318 0.413 -4.643 75 HD1 PHE 12 HD1 PHE 12 11.981 1.385 -3.016 76 HD2 PHE 12 HD2 PHE 12 14.439 -2.115 -2.492 77 HE1 PHE 12 HE1 PHE 12 10.122 0.240 -1.866 78 HE2 PHE 12 HE2 PHE 12 12.572 -3.241 -1.344 79 HZ PHE 12 HZ PHE 12 10.413 -2.072 -1.029 80 H ALA 13 HN ALA 13 17.061 1.390 -1.771 81 HA ALA 13 HA ALA 13 18.438 2.902 -3.809 82 HB1 ALA 13 HB1 ALA 13 18.921 4.231 -2.050 83 HB2 ALA 13 HB2 ALA 13 19.935 2.967 -1.355 84 HB3 ALA 13 HB3 ALA 13 18.216 3.029 -0.968 85 H ARG 14 HN ARG 14 19.715 0.461 -1.482 86 HA ARG 14 HA ARG 14 22.307 0.207 -2.442 87 HB2 ARG 14 HB2 ARG 14 20.365 -1.777 -1.303 88 HB3 ARG 14 HB1 ARG 14 21.883 -2.377 -1.971 89 HG2 ARG 14 HG2 ARG 14 22.253 -1.946 0.372 90 HG3 ARG 14 HG1 ARG 14 23.087 -0.683 -0.534 91 HD2 ARG 14 HD2 ARG 14 21.188 0.842 -0.176 92 HD3 ARG 14 HD1 ARG 14 20.333 -0.420 0.711 93 HE ARG 14 HE ARG 14 22.896 -0.007 1.915 94 HH11 ARG 14 HH11 ARG 14 23.149 2.285 2.798 95 HH12 ARG 14 HH12 ARG 14 21.760 2.851 3.665 96 HH21 ARG 14 HH21 ARG 14 19.660 0.373 2.449 97 HH22 ARG 14 HH22 ARG 14 19.786 1.767 3.469 98 H CGU 15 HN GLA 15 19.358 -1.135 -3.919 99 HA CGU 15 HA GLA 15 20.914 -2.506 -6.003 100 HB2 CGU 15 HB1 GLA 15 18.924 -3.432 -6.709 101 HB3 CGU 15 HB2 GLA 15 17.994 -1.973 -6.380 102 HG CGU 15 HG GLA 15 17.910 -2.445 -4.043 103 H LEU 16 HN LEU 16 18.846 0.402 -5.824 104 HA LEU 16 HA LEU 16 18.963 1.162 -8.534 105 HB2 LEU 16 HB2 LEU 16 18.513 2.539 -5.962 106 HB3 LEU 16 HB1 LEU 16 19.123 3.581 -7.245 107 HG LEU 16 HG LEU 16 16.669 3.551 -7.265 108 HD11 LEU 16 HD11 LEU 16 17.061 1.909 -9.648 109 HD12 LEU 16 HD12 LEU 16 18.352 3.092 -9.436 110 HD13 LEU 16 HD13 LEU 16 16.672 3.625 -9.522 111 HD21 LEU 16 HD21 LEU 16 17.140 0.696 -6.898 112 HD22 LEU 16 HD22 LEU 16 16.018 1.008 -8.222 113 HD23 LEU 16 HD23 LEU 16 15.674 1.633 -6.609 114 H ALA 17 HN ALA 17 21.432 1.337 -6.051 115 HA ALA 17 HA ALA 17 23.157 3.092 -7.647 116 HB1 ALA 17 HB1 ALA 17 23.384 1.683 -5.007 117 HB2 ALA 17 HB2 ALA 17 23.571 3.398 -5.376 118 HB3 ALA 17 HB3 ALA 17 24.850 2.261 -5.801 119 H ASN 18 HN ASN 18 22.751 -0.355 -7.102 120 HA ASN 18 HA ASN 18 25.275 -0.984 -8.511 121 HB2 ASN 18 HB2 ASN 18 23.225 -3.095 -7.944 122 HB3 ASN 18 HB1 ASN 18 24.982 -3.167 -7.816 123 HD21 ASN 18 HD21 ASN 18 24.626 -0.366 -6.351 124 HD22 ASN 18 HD22 ASN 18 24.283 -0.856 -4.735 125 H TYR 19 HN TYR 19 22.695 0.328 -9.711 126 HA TYR 19 HA TYR 19 22.129 -1.624 -11.863 127 HB2 TYR 19 HB2 TYR 19 20.129 -0.615 -11.213 128 HB3 TYR 19 HB1 TYR 19 20.895 0.947 -10.923 129 HD1 TYR 19 HD1 TYR 19 21.199 -1.280 -13.897 130 HD2 TYR 19 HD2 TYR 19 19.715 2.427 -12.322 131 HE1 TYR 19 HE1 TYR 19 20.585 -0.553 -16.191 132 HE2 TYR 19 HE2 TYR 19 19.100 3.157 -14.613 133 HH TYR 19 HH TYR 19 20.235 1.651 -17.386 134 HN1 NH2 20 H1 NH2 20 23.498 1.673 -11.444 135 HN2 NH2 20 H2 NH2 20 24.256 1.721 -12.991 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 5.562 2.869 13.682 2 H2 GLY 1 HT2 GLY 1 6.718 2.205 12.629 3 H3 GLY 1 HT3 GLY 1 5.648 1.189 13.471 4 HA2 GLY 1 HA1 GLY 1 4.509 1.205 11.548 5 HA3 GLY 1 HA2 GLY 1 3.890 2.721 12.203 6 H GLU 2 HN GLU 2 7.047 3.350 11.770 7 HA GLU 2 HA GLU 2 6.768 4.035 8.878 8 HB2 GLU 2 HB2 GLU 2 7.629 6.264 9.274 9 HB3 GLU 2 HB1 GLU 2 6.246 6.021 10.342 10 HG2 GLU 2 HG2 GLU 2 7.777 5.432 12.190 11 HG3 GLU 2 HG1 GLU 2 9.157 5.698 11.124 12 H CGU 3 HN GLA 3 8.313 2.048 10.651 13 HA CGU 3 HA GLA 3 11.084 2.847 9.869 14 HB2 CGU 3 HB1 GLA 3 10.134 0.686 11.779 15 HB3 CGU 3 HB2 GLA 3 10.748 2.268 12.251 16 HG CGU 3 HG GLA 3 12.297 0.197 10.664 17 H CGU 4 HN GLA 4 8.535 0.584 9.270 18 HA CGU 4 HA GLA 4 10.234 -1.392 7.938 19 HB2 CGU 4 HB1 GLA 4 8.210 -2.547 7.424 20 HB3 CGU 4 HB2 GLA 4 7.240 -1.084 7.602 21 HG CGU 4 HG GLA 4 8.846 -2.244 9.877 22 H LEU 5 HN LEU 5 8.563 1.511 7.104 23 HA LEU 5 HA LEU 5 8.580 1.043 4.226 24 HB2 LEU 5 HB2 LEU 5 8.181 3.581 5.843 25 HB3 LEU 5 HB1 LEU 5 7.946 3.444 4.107 26 HG LEU 5 HG LEU 5 6.296 1.571 4.586 27 HD11 LEU 5 HD11 LEU 5 7.037 2.435 7.341 28 HD12 LEU 5 HD12 LEU 5 6.572 0.839 6.750 29 HD13 LEU 5 HD13 LEU 5 5.338 2.064 7.048 30 HD21 LEU 5 HD21 LEU 5 5.734 4.015 4.087 31 HD22 LEU 5 HD22 LEU 5 5.527 4.223 5.826 32 HD23 LEU 5 HD23 LEU 5 4.491 3.103 4.942 33 H ALA 6 HN ALA 6 10.788 2.295 6.596 34 HA ALA 6 HA ALA 6 12.465 3.648 4.583 35 HB1 ALA 6 HB1 ALA 6 12.354 4.546 6.896 36 HB2 ALA 6 HB2 ALA 6 14.002 4.107 6.449 37 HB3 ALA 6 HB3 ALA 6 13.063 3.048 7.501 38 H CGU 7 HN GLA 7 12.281 0.536 6.177 39 HA CGU 7 HA GLA 7 14.976 -0.271 5.423 40 HB2 CGU 7 HB1 GLA 7 14.227 -2.545 6.086 41 HB3 CGU 7 HB2 GLA 7 12.585 -1.945 6.263 42 HG CGU 7 HG GLA 7 13.417 -0.303 7.958 43 H LYS 8 HN LYS 8 11.782 -0.395 3.934 44 HA LYS 8 HA LYS 8 12.645 -2.233 1.832 45 HB2 LYS 8 HB2 LYS 8 10.166 -0.569 2.275 46 HB3 LYS 8 HB1 LYS 8 10.440 -1.420 0.756 47 HG2 LYS 8 HG2 LYS 8 10.710 -3.543 2.020 48 HG3 LYS 8 HG1 LYS 8 10.355 -2.673 3.514 49 HD2 LYS 8 HD2 LYS 8 8.152 -2.003 2.570 50 HD3 LYS 8 HD1 LYS 8 8.502 -2.959 1.130 51 HE2 LYS 8 HE2 LYS 8 8.321 -4.024 3.963 52 HE3 LYS 8 HE1 LYS 8 7.115 -4.250 2.696 53 HZ1 LYS 8 HZ1 LYS 8 8.303 -5.867 1.767 54 HZ2 LYS 8 HZ2 LYS 8 9.205 -5.904 3.206 55 HZ3 LYS 8 HZ3 LYS 8 9.757 -5.001 1.877 56 H ALA 9 HN ALA 9 12.465 1.265 2.277 57 HA ALA 9 HA ALA 9 13.062 1.800 -0.547 58 HB1 ALA 9 HB1 ALA 9 13.386 4.175 0.365 59 HB2 ALA 9 HB2 ALA 9 12.867 3.537 1.926 60 HB3 ALA 9 HB3 ALA 9 11.770 3.492 0.545 61 H ALA 10 HN ALA 10 14.770 1.667 2.547 62 HA ALA 10 HA ALA 10 17.265 2.724 1.675 63 HB1 ALA 10 HB1 ALA 10 16.675 0.591 3.753 64 HB2 ALA 10 HB2 ALA 10 16.816 2.325 4.045 65 HB3 ALA 10 HB3 ALA 10 18.233 1.394 3.558 66 H CGU 11 HN GLA 11 15.795 -0.463 1.315 67 HA CGU 11 HA GLA 11 18.257 -1.666 0.279 68 HB2 CGU 11 HB1 GLA 11 15.373 -2.593 0.362 69 HB3 CGU 11 HB2 GLA 11 16.740 -3.236 1.278 70 HG CGU 11 HG GLA 11 17.709 -3.643 -1.183 71 H PHE 12 HN PHE 12 15.081 -0.895 -1.262 72 HA PHE 12 HA PHE 12 15.855 -1.350 -3.934 73 HB2 PHE 12 HB2 PHE 12 14.274 1.152 -3.133 74 HB3 PHE 12 HB1 PHE 12 14.185 0.244 -4.668 75 HD1 PHE 12 HD1 PHE 12 14.139 -2.602 -3.613 76 HD2 PHE 12 HD2 PHE 12 12.047 0.905 -2.251 77 HE1 PHE 12 HE1 PHE 12 12.357 -4.020 -2.675 78 HE2 PHE 12 HE2 PHE 12 10.271 -0.530 -1.314 79 HZ PHE 12 HZ PHE 12 10.423 -2.992 -1.524 80 H ALA 13 HN ALA 13 16.842 1.221 -1.767 81 HA ALA 13 HA ALA 13 18.055 2.939 -3.730 82 HB1 ALA 13 HB1 ALA 13 19.041 4.072 -1.956 83 HB2 ALA 13 HB2 ALA 13 19.372 2.592 -1.057 84 HB3 ALA 13 HB3 ALA 13 17.736 3.250 -1.098 85 H ARG 14 HN ARG 14 19.572 0.413 -1.663 86 HA ARG 14 HA ARG 14 22.131 0.387 -2.724 87 HB2 ARG 14 HB2 ARG 14 20.433 -2.040 -2.049 88 HB3 ARG 14 HB1 ARG 14 22.193 -2.021 -2.159 89 HG2 ARG 14 HG2 ARG 14 20.572 -0.315 -0.248 90 HG3 ARG 14 HG1 ARG 14 21.373 -1.824 0.191 91 HD2 ARG 14 HD2 ARG 14 23.499 -0.662 -0.836 92 HD3 ARG 14 HD1 ARG 14 22.591 0.822 -0.538 93 HE ARG 14 HE ARG 14 23.162 0.550 1.723 94 HH11 ARG 14 HH11 ARG 14 23.897 -2.318 0.070 95 HH12 ARG 14 HH12 ARG 14 23.895 -3.324 1.480 96 HH21 ARG 14 HH21 ARG 14 22.752 -0.818 3.588 97 HH22 ARG 14 HH22 ARG 14 23.248 -2.474 3.471 98 H CGU 15 HN GLA 15 19.245 -1.220 -4.098 99 HA CGU 15 HA GLA 15 20.770 -2.185 -6.415 100 HB2 CGU 15 HB1 GLA 15 18.835 -3.273 -7.089 101 HB3 CGU 15 HB2 GLA 15 17.772 -2.011 -6.474 102 HG CGU 15 HG GLA 15 18.070 -2.758 -4.209 103 H LEU 16 HN LEU 16 18.989 0.671 -5.560 104 HA LEU 16 HA LEU 16 18.371 1.612 -8.191 105 HB2 LEU 16 HB2 LEU 16 17.631 2.525 -5.852 106 HB3 LEU 16 HB1 LEU 16 19.129 3.449 -5.919 107 HG LEU 16 HG LEU 16 17.516 4.909 -6.834 108 HD11 LEU 16 HD11 LEU 16 19.564 4.589 -8.264 109 HD12 LEU 16 HD12 LEU 16 18.155 5.177 -9.143 110 HD13 LEU 16 HD13 LEU 16 18.625 3.485 -9.268 111 HD21 LEU 16 HD21 LEU 16 16.497 2.792 -8.725 112 HD22 LEU 16 HD22 LEU 16 15.711 4.287 -8.216 113 HD23 LEU 16 HD23 LEU 16 15.847 2.935 -7.091 114 H ALA 17 HN ALA 17 21.113 2.428 -6.037 115 HA ALA 17 HA ALA 17 22.574 4.019 -7.834 116 HB1 ALA 17 HB1 ALA 17 23.109 2.567 -5.379 117 HB2 ALA 17 HB2 ALA 17 23.853 4.049 -5.978 118 HB3 ALA 17 HB3 ALA 17 24.493 2.482 -6.469 119 H ASN 18 HN ASN 18 22.137 0.550 -7.774 120 HA ASN 18 HA ASN 18 24.301 0.082 -9.725 121 HB2 ASN 18 HB2 ASN 18 22.225 -2.003 -9.198 122 HB3 ASN 18 HB1 ASN 18 23.974 -2.164 -9.347 123 HD21 ASN 18 HD21 ASN 18 24.034 0.326 -7.374 124 HD22 ASN 18 HD22 ASN 18 23.868 -0.435 -5.837 125 H TYR 19 HN TYR 19 21.663 1.714 -10.206 126 HA TYR 19 HA TYR 19 20.438 0.211 -12.401 127 HB2 TYR 19 HB2 TYR 19 18.882 1.581 -11.313 128 HB3 TYR 19 HB1 TYR 19 20.024 2.918 -11.157 129 HD1 TYR 19 HD1 TYR 19 20.841 4.046 -13.329 130 HD2 TYR 19 HD2 TYR 19 17.386 1.506 -13.114 131 HE1 TYR 19 HE1 TYR 19 19.996 5.016 -15.452 132 HE2 TYR 19 HE2 TYR 19 16.538 2.475 -15.237 133 HH TYR 19 HH TYR 19 17.573 3.627 -17.272 134 HN1 NH2 20 H1 NH2 20 23.034 2.531 -12.009 135 HN2 NH2 20 H2 NH2 20 23.329 2.775 -13.689 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 5.311 2.361 14.474 2 H2 GLY 1 HT2 GLY 1 6.647 2.376 13.425 3 H3 GLY 1 HT3 GLY 1 5.243 1.515 13.005 4 HA2 GLY 1 HA1 GLY 1 3.989 3.586 12.885 5 HA3 GLY 1 HA2 GLY 1 5.468 4.463 13.276 6 H GLU 2 HN GLU 2 7.327 4.111 11.748 7 HA GLU 2 HA GLU 2 6.533 3.196 9.044 8 HB2 GLU 2 HB2 GLU 2 7.479 5.321 8.062 9 HB3 GLU 2 HB1 GLU 2 5.971 5.543 8.951 10 HG2 GLU 2 HG2 GLU 2 7.153 6.360 10.892 11 HG3 GLU 2 HG1 GLU 2 8.712 5.951 10.175 12 H CGU 3 HN GLA 3 8.288 1.930 10.811 13 HA CGU 3 HA GLA 3 11.028 2.716 9.986 14 HB2 CGU 3 HB1 GLA 3 10.081 0.487 11.820 15 HB3 CGU 3 HB2 GLA 3 10.625 2.077 12.345 16 HG CGU 3 HG GLA 3 12.286 0.069 10.789 17 H CGU 4 HN GLA 4 8.567 0.368 9.278 18 HA CGU 4 HA GLA 4 10.402 -1.475 7.916 19 HB2 CGU 4 HB1 GLA 4 8.467 -2.771 7.406 20 HB3 CGU 4 HB2 GLA 4 7.391 -1.387 7.612 21 HG CGU 4 HG GLA 4 9.094 -2.446 9.865 22 H LEU 5 HN LEU 5 8.519 1.316 7.174 23 HA LEU 5 HA LEU 5 8.504 0.921 4.289 24 HB2 LEU 5 HB2 LEU 5 7.973 3.362 6.010 25 HB3 LEU 5 HB1 LEU 5 7.814 3.338 4.260 26 HG LEU 5 HG LEU 5 6.159 1.520 4.416 27 HD11 LEU 5 HD11 LEU 5 6.700 0.314 6.354 28 HD12 LEU 5 HD12 LEU 5 5.246 1.184 6.841 29 HD13 LEU 5 HD13 LEU 5 6.832 1.771 7.339 30 HD21 LEU 5 HD21 LEU 5 5.687 4.119 4.791 31 HD22 LEU 5 HD22 LEU 5 5.186 3.554 6.384 32 HD23 LEU 5 HD23 LEU 5 4.394 2.927 4.939 33 H ALA 6 HN ALA 6 10.695 2.221 6.639 34 HA ALA 6 HA ALA 6 12.272 3.713 4.650 35 HB1 ALA 6 HB1 ALA 6 13.579 3.063 7.216 36 HB2 ALA 6 HB2 ALA 6 12.054 3.933 7.381 37 HB3 ALA 6 HB3 ALA 6 13.365 4.625 6.427 38 H CGU 7 HN GLA 7 12.409 0.595 6.313 39 HA CGU 7 HA GLA 7 15.046 -0.094 5.359 40 HB2 CGU 7 HB1 GLA 7 14.455 -2.388 6.046 41 HB3 CGU 7 HB2 GLA 7 12.775 -1.908 6.233 42 HG CGU 7 HG GLA 7 13.500 -0.219 7.934 43 H LYS 8 HN LYS 8 11.816 -0.289 3.986 44 HA LYS 8 HA LYS 8 12.655 -2.093 1.840 45 HB2 LYS 8 HB2 LYS 8 10.139 -0.459 2.247 46 HB3 LYS 8 HB1 LYS 8 10.394 -1.544 0.885 47 HG2 LYS 8 HG2 LYS 8 10.649 -3.444 2.384 48 HG3 LYS 8 HG1 LYS 8 10.543 -2.386 3.792 49 HD2 LYS 8 HD2 LYS 8 8.254 -1.860 3.344 50 HD3 LYS 8 HD1 LYS 8 8.334 -2.580 1.734 51 HE2 LYS 8 HE2 LYS 8 7.191 -4.056 3.395 52 HE3 LYS 8 HE1 LYS 8 8.626 -4.801 2.693 53 HZ1 LYS 8 HZ1 LYS 8 8.628 -3.331 5.269 54 HZ2 LYS 8 HZ2 LYS 8 9.883 -4.275 4.619 55 HZ3 LYS 8 HZ3 LYS 8 8.447 -5.013 5.149 56 H ALA 9 HN ALA 9 12.437 1.388 2.336 57 HA ALA 9 HA ALA 9 12.881 1.934 -0.526 58 HB1 ALA 9 HB1 ALA 9 12.706 3.716 1.921 59 HB2 ALA 9 HB2 ALA 9 11.498 3.527 0.650 60 HB3 ALA 9 HB3 ALA 9 13.030 4.327 0.299 61 H ALA 10 HN ALA 10 14.679 1.769 2.491 62 HA ALA 10 HA ALA 10 17.087 3.020 1.521 63 HB1 ALA 10 HB1 ALA 10 16.433 2.513 3.962 64 HB2 ALA 10 HB2 ALA 10 18.112 2.214 3.512 65 HB3 ALA 10 HB3 ALA 10 16.980 0.867 3.642 66 H CGU 11 HN GLA 11 15.754 -0.225 1.320 67 HA CGU 11 HA GLA 11 18.252 -1.413 0.376 68 HB2 CGU 11 HB1 GLA 11 15.377 -2.392 0.347 69 HB3 CGU 11 HB2 GLA 11 16.692 -2.959 1.385 70 HG CGU 11 HG GLA 11 17.741 -3.337 -1.134 71 H PHE 12 HN PHE 12 15.161 -0.481 -1.210 72 HA PHE 12 HA PHE 12 15.881 -1.048 -3.885 73 HB2 PHE 12 HB2 PHE 12 14.554 1.604 -3.126 74 HB3 PHE 12 HB1 PHE 12 14.329 0.645 -4.616 75 HD1 PHE 12 HD1 PHE 12 12.042 1.567 -2.799 76 HD2 PHE 12 HD2 PHE 12 14.334 -2.074 -2.808 77 HE1 PHE 12 HE1 PHE 12 10.152 0.365 -1.763 78 HE2 PHE 12 HE2 PHE 12 12.441 -3.261 -1.771 79 HZ PHE 12 HZ PHE 12 10.348 -2.048 -1.247 80 H ALA 13 HN ALA 13 17.098 1.414 -1.721 81 HA ALA 13 HA ALA 13 18.429 3.026 -3.713 82 HB1 ALA 13 HB1 ALA 13 19.689 3.996 -1.911 83 HB2 ALA 13 HB2 ALA 13 19.410 2.596 -0.876 84 HB3 ALA 13 HB3 ALA 13 18.075 3.678 -1.274 85 H ARG 14 HN ARG 14 19.786 0.495 -1.530 86 HA ARG 14 HA ARG 14 22.353 0.326 -2.566 87 HB2 ARG 14 HB2 ARG 14 20.591 -2.041 -1.856 88 HB3 ARG 14 HB1 ARG 14 22.354 -2.029 -1.884 89 HG2 ARG 14 HG2 ARG 14 20.656 -0.249 -0.108 90 HG3 ARG 14 HG1 ARG 14 21.416 -1.751 0.419 91 HD2 ARG 14 HD2 ARG 14 23.619 -0.699 -0.463 92 HD3 ARG 14 HD1 ARG 14 22.735 0.826 -0.423 93 HE ARG 14 HE ARG 14 23.841 -0.463 1.861 94 HH11 ARG 14 HH11 ARG 14 21.692 -1.105 3.267 95 HH12 ARG 14 HH12 ARG 14 20.854 0.341 3.725 96 HH21 ARG 14 HH21 ARG 14 22.443 2.329 1.372 97 HH22 ARG 14 HH22 ARG 14 21.283 2.284 2.657 98 H CGU 15 HN GLA 15 19.397 -1.107 -3.956 99 HA CGU 15 HA GLA 15 20.816 -2.414 -6.138 100 HB2 CGU 15 HB1 GLA 15 18.732 -3.066 -6.948 101 HB3 CGU 15 HB2 GLA 15 17.933 -1.591 -6.414 102 HG CGU 15 HG GLA 15 17.930 -2.331 -4.126 103 H LEU 16 HN LEU 16 19.370 0.765 -5.659 104 HA LEU 16 HA LEU 16 19.336 1.615 -8.377 105 HB2 LEU 16 HB2 LEU 16 18.871 2.786 -5.840 106 HB3 LEU 16 HB1 LEU 16 20.102 3.778 -6.616 107 HG LEU 16 HG LEU 16 17.993 4.691 -7.277 108 HD11 LEU 16 HD11 LEU 16 19.822 3.703 -9.110 109 HD12 LEU 16 HD12 LEU 16 18.531 4.851 -9.464 110 HD13 LEU 16 HD13 LEU 16 18.277 3.127 -9.733 111 HD21 LEU 16 HD21 LEU 16 16.358 3.099 -6.814 112 HD22 LEU 16 HD22 LEU 16 17.250 1.802 -7.608 113 HD23 LEU 16 HD23 LEU 16 16.412 3.015 -8.575 114 H ALA 17 HN ALA 17 21.927 1.597 -5.958 115 HA ALA 17 HA ALA 17 23.815 3.027 -7.626 116 HB1 ALA 17 HB1 ALA 17 23.877 2.674 -5.061 117 HB2 ALA 17 HB2 ALA 17 25.405 2.569 -5.937 118 HB3 ALA 17 HB3 ALA 17 24.573 1.097 -5.434 119 H ASN 18 HN ASN 18 22.888 -0.337 -7.259 120 HA ASN 18 HA ASN 18 25.200 -1.319 -8.795 121 HB2 ASN 18 HB2 ASN 18 22.754 -3.005 -8.441 122 HB3 ASN 18 HB1 ASN 18 24.456 -3.442 -8.291 123 HD21 ASN 18 HD21 ASN 18 24.635 -0.787 -6.558 124 HD22 ASN 18 HD22 ASN 18 24.129 -1.340 -5.007 125 H TYR 19 HN TYR 19 22.919 0.597 -9.825 126 HA TYR 19 HA TYR 19 21.898 -0.953 -12.104 127 HB2 TYR 19 HB2 TYR 19 20.311 0.597 -11.355 128 HB3 TYR 19 HB1 TYR 19 21.523 1.845 -11.065 129 HD1 TYR 19 HD1 TYR 19 20.698 -0.329 -14.005 130 HD2 TYR 19 HD2 TYR 19 21.211 3.654 -12.486 131 HE1 TYR 19 HE1 TYR 19 20.301 0.588 -16.278 132 HE2 TYR 19 HE2 TYR 19 20.814 4.574 -14.758 133 HH TYR 19 HH TYR 19 19.710 3.894 -16.848 134 HN1 NH2 20 H1 NH2 20 24.564 1.225 -11.405 135 HN2 NH2 20 H2 NH2 20 25.150 1.332 -13.021 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 4.330 3.458 11.781 2 H2 GLY 1 HT2 GLY 1 4.394 4.326 13.240 3 H3 GLY 1 HT3 GLY 1 3.884 2.706 13.234 4 HA2 GLY 1 HA1 GLY 1 6.310 3.348 13.934 5 HA3 GLY 1 HA2 GLY 1 5.975 1.871 13.031 6 H GLU 2 HN GLU 2 5.327 3.236 10.538 7 HA GLU 2 HA GLU 2 6.592 3.664 8.583 8 HB2 GLU 2 HB2 GLU 2 7.649 5.867 10.383 9 HB3 GLU 2 HB1 GLU 2 7.588 5.887 8.621 10 HG2 GLU 2 HG2 GLU 2 5.705 7.166 9.497 11 HG3 GLU 2 HG1 GLU 2 5.100 5.689 8.744 12 H CGU 3 HN GLA 3 7.834 1.705 10.297 13 HA CGU 3 HA GLA 3 10.725 2.419 10.075 14 HB2 CGU 3 HB1 GLA 3 9.402 0.113 11.542 15 HB3 CGU 3 HB2 GLA 3 9.957 1.610 12.287 16 HG CGU 3 HG GLA 3 11.721 -0.321 10.745 17 H CGU 4 HN GLA 4 8.247 0.323 8.826 18 HA CGU 4 HA GLA 4 10.178 -1.479 7.520 19 HB2 CGU 4 HB1 GLA 4 8.295 -2.702 6.754 20 HB3 CGU 4 HB2 GLA 4 7.220 -1.313 6.919 21 HG CGU 4 HG GLA 4 8.639 -2.550 9.278 22 H LEU 5 HN LEU 5 8.404 1.400 6.841 23 HA LEU 5 HA LEU 5 8.650 1.231 3.943 24 HB2 LEU 5 HB2 LEU 5 7.961 3.524 5.810 25 HB3 LEU 5 HB1 LEU 5 8.012 3.679 4.063 26 HG LEU 5 HG LEU 5 5.728 3.149 5.203 27 HD11 LEU 5 HD11 LEU 5 6.051 3.140 2.783 28 HD12 LEU 5 HD12 LEU 5 5.076 1.748 3.251 29 HD13 LEU 5 HD13 LEU 5 6.782 1.538 2.859 30 HD21 LEU 5 HD21 LEU 5 6.935 0.369 5.056 31 HD22 LEU 5 HD22 LEU 5 5.297 0.782 5.556 32 HD23 LEU 5 HD23 LEU 5 6.667 1.258 6.556 33 H ALA 6 HN ALA 6 10.641 2.300 6.570 34 HA ALA 6 HA ALA 6 12.400 3.890 4.812 35 HB1 ALA 6 HB1 ALA 6 12.518 4.871 6.891 36 HB2 ALA 6 HB2 ALA 6 13.842 3.720 7.075 37 HB3 ALA 6 HB3 ALA 6 12.251 3.350 7.742 38 H CGU 7 HN GLA 7 12.408 0.717 6.403 39 HA CGU 7 HA GLA 7 15.134 0.084 5.711 40 HB2 CGU 7 HB1 GLA 7 14.471 -2.264 6.173 41 HB3 CGU 7 HB2 GLA 7 12.790 -1.765 6.258 42 HG CGU 7 HG GLA 7 13.392 -0.203 8.114 43 H LYS 8 HN LYS 8 12.086 -0.093 3.973 44 HA LYS 8 HA LYS 8 13.228 -1.738 1.830 45 HB2 LYS 8 HB2 LYS 8 10.576 -0.412 2.324 46 HB3 LYS 8 HB1 LYS 8 10.986 -0.953 0.696 47 HG2 LYS 8 HG2 LYS 8 11.310 -2.789 3.066 48 HG3 LYS 8 HG1 LYS 8 9.755 -2.625 2.250 49 HD2 LYS 8 HD2 LYS 8 12.118 -3.055 0.497 50 HD3 LYS 8 HD1 LYS 8 11.615 -4.427 1.486 51 HE2 LYS 8 HE2 LYS 8 9.324 -4.234 0.605 52 HE3 LYS 8 HE1 LYS 8 9.809 -2.846 -0.369 53 HZ1 LYS 8 HZ1 LYS 8 11.084 -4.145 -1.751 54 HZ2 LYS 8 HZ2 LYS 8 9.791 -5.194 -1.414 55 HZ3 LYS 8 HZ3 LYS 8 11.275 -5.385 -0.609 56 H ALA 9 HN ALA 9 12.684 1.694 2.467 57 HA ALA 9 HA ALA 9 13.203 2.545 -0.254 58 HB1 ALA 9 HB1 ALA 9 13.855 4.487 1.840 59 HB2 ALA 9 HB2 ALA 9 12.260 3.766 2.052 60 HB3 ALA 9 HB3 ALA 9 12.661 4.592 0.547 61 H ALA 10 HN ALA 10 15.163 2.537 2.740 62 HA ALA 10 HA ALA 10 17.562 3.512 1.564 63 HB1 ALA 10 HB1 ALA 10 17.123 1.650 3.917 64 HB2 ALA 10 HB2 ALA 10 17.362 3.396 3.973 65 HB3 ALA 10 HB3 ALA 10 18.690 2.338 3.494 66 H CGU 11 HN GLA 11 16.220 0.240 1.766 67 HA CGU 11 HA GLA 11 18.581 -1.064 0.712 68 HB2 CGU 11 HB1 GLA 11 15.681 -1.873 0.981 69 HB3 CGU 11 HB2 GLA 11 17.087 -2.563 1.798 70 HG CGU 11 HG GLA 11 17.867 -3.198 -0.613 71 H PHE 12 HN PHE 12 15.453 -0.207 -0.829 72 HA PHE 12 HA PHE 12 16.117 -0.963 -3.476 73 HB2 PHE 12 HB2 PHE 12 13.896 0.076 -3.136 74 HB3 PHE 12 HB1 PHE 12 14.660 1.643 -2.701 75 HD1 PHE 12 HD1 PHE 12 16.220 2.738 -4.505 76 HD2 PHE 12 HD2 PHE 12 13.411 -0.394 -5.425 77 HE1 PHE 12 HE1 PHE 12 16.295 3.357 -6.891 78 HE2 PHE 12 HE2 PHE 12 13.499 0.238 -7.807 79 HZ PHE 12 HZ PHE 12 14.938 2.112 -8.544 80 H ALA 13 HN ALA 13 17.361 1.692 -1.561 81 HA ALA 13 HA ALA 13 18.708 3.130 -3.639 82 HB1 ALA 13 HB1 ALA 13 20.016 2.787 -0.952 83 HB2 ALA 13 HB2 ALA 13 18.493 3.670 -1.056 84 HB3 ALA 13 HB3 ALA 13 19.901 4.231 -1.957 85 H ARG 14 HN ARG 14 20.032 0.599 -1.447 86 HA ARG 14 HA ARG 14 22.538 0.268 -2.599 87 HB2 ARG 14 HB2 ARG 14 20.669 -1.940 -1.677 88 HB3 ARG 14 HB1 ARG 14 22.412 -2.103 -1.890 89 HG2 ARG 14 HG2 ARG 14 21.079 -0.142 0.001 90 HG3 ARG 14 HG1 ARG 14 21.786 -1.684 0.484 91 HD2 ARG 14 HD2 ARG 14 23.936 -0.811 -0.693 92 HD3 ARG 14 HD1 ARG 14 23.175 0.775 -0.567 93 HE ARG 14 HE ARG 14 23.763 0.750 1.705 94 HH11 ARG 14 HH11 ARG 14 22.026 -1.237 2.789 95 HH12 ARG 14 HH12 ARG 14 23.073 -2.533 3.261 96 HH21 ARG 14 HH21 ARG 14 25.730 -1.451 1.315 97 HH22 ARG 14 HH22 ARG 14 25.170 -2.655 2.428 98 H CGU 15 HN GLA 15 19.460 -1.157 -3.734 99 HA CGU 15 HA GLA 15 20.692 -2.512 -5.996 100 HB2 CGU 15 HB1 GLA 15 18.531 -3.085 -6.685 101 HB3 CGU 15 HB2 GLA 15 17.815 -1.602 -6.062 102 HG CGU 15 HG GLA 15 17.975 -2.387 -3.796 103 H LEU 16 HN LEU 16 19.229 0.676 -5.519 104 HA LEU 16 HA LEU 16 19.063 1.540 -8.193 105 HB2 LEU 16 HB2 LEU 16 18.302 2.827 -6.168 106 HB3 LEU 16 HB1 LEU 16 19.988 3.227 -5.847 107 HG LEU 16 HG LEU 16 18.673 3.819 -8.504 108 HD11 LEU 16 HD11 LEU 16 19.045 6.179 -6.921 109 HD12 LEU 16 HD12 LEU 16 18.088 5.029 -5.988 110 HD13 LEU 16 HD13 LEU 16 17.545 5.535 -7.588 111 HD21 LEU 16 HD21 LEU 16 20.841 4.290 -8.975 112 HD22 LEU 16 HD22 LEU 16 21.310 4.218 -7.277 113 HD23 LEU 16 HD23 LEU 16 20.632 5.702 -7.941 114 H ALA 17 HN ALA 17 21.871 1.425 -6.025 115 HA ALA 17 HA ALA 17 23.667 2.713 -7.896 116 HB1 ALA 17 HB1 ALA 17 24.068 2.586 -5.429 117 HB2 ALA 17 HB2 ALA 17 25.432 1.995 -6.377 118 HB3 ALA 17 HB3 ALA 17 24.338 0.852 -5.597 119 H ASN 18 HN ASN 18 22.573 -0.570 -7.385 120 HA ASN 18 HA ASN 18 24.696 -1.723 -9.073 121 HB2 ASN 18 HB2 ASN 18 22.204 -3.262 -8.471 122 HB3 ASN 18 HB1 ASN 18 23.888 -3.784 -8.438 123 HD21 ASN 18 HD21 ASN 18 24.376 -1.119 -6.816 124 HD22 ASN 18 HD22 ASN 18 23.950 -1.583 -5.213 125 H TYR 19 HN TYR 19 22.190 0.194 -9.830 126 HA TYR 19 HA TYR 19 21.158 -1.355 -12.112 127 HB2 TYR 19 HB2 TYR 19 19.448 -0.050 -11.223 128 HB3 TYR 19 HB1 TYR 19 20.530 1.291 -10.846 129 HD1 TYR 19 HD1 TYR 19 19.893 -0.665 -13.977 130 HD2 TYR 19 HD2 TYR 19 19.904 3.178 -12.063 131 HE1 TYR 19 HE1 TYR 19 19.317 0.410 -16.139 132 HE2 TYR 19 HE2 TYR 19 19.327 4.256 -14.224 133 HH TYR 19 HH TYR 19 18.310 3.683 -16.348 134 HN1 NH2 20 H1 NH2 20 23.416 1.326 -11.492 135 HN2 NH2 20 H2 NH2 20 23.954 1.472 -13.123 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 3.077 3.078 11.463 2 H2 GLY 1 HT2 GLY 1 3.616 2.473 12.956 3 H3 GLY 1 HT3 GLY 1 2.496 1.591 12.032 4 HA2 GLY 1 HA1 GLY 1 5.171 1.195 12.035 5 HA3 GLY 1 HA2 GLY 1 4.062 0.656 10.775 6 H GLU 2 HN GLU 2 6.741 2.626 11.432 7 HA GLU 2 HA GLU 2 6.537 3.797 8.699 8 HB2 GLU 2 HB2 GLU 2 7.279 5.283 11.237 9 HB3 GLU 2 HB1 GLU 2 7.526 5.921 9.611 10 HG2 GLU 2 HG2 GLU 2 5.101 5.705 9.164 11 HG3 GLU 2 HG1 GLU 2 4.860 5.098 10.802 12 H CGU 3 HN GLA 3 8.299 2.102 11.018 13 HA CGU 3 HA GLA 3 10.963 2.891 10.019 14 HB2 CGU 3 HB1 GLA 3 10.142 0.663 11.913 15 HB3 CGU 3 HB2 GLA 3 10.655 2.275 12.398 16 HG CGU 3 HG GLA 3 12.323 0.302 10.807 17 H CGU 4 HN GLA 4 8.550 0.481 9.401 18 HA CGU 4 HA GLA 4 10.394 -1.352 8.043 19 HB2 CGU 4 HB1 GLA 4 8.483 -2.700 7.600 20 HB3 CGU 4 HB2 GLA 4 7.379 -1.336 7.774 21 HG CGU 4 HG GLA 4 9.124 -2.302 10.039 22 H LEU 5 HN LEU 5 8.420 1.374 7.256 23 HA LEU 5 HA LEU 5 8.334 0.924 4.395 24 HB2 LEU 5 HB2 LEU 5 6.656 2.417 5.110 25 HB3 LEU 5 HB1 LEU 5 7.730 3.207 6.261 26 HG LEU 5 HG LEU 5 8.958 4.264 4.406 27 HD11 LEU 5 HD11 LEU 5 6.811 3.200 2.563 28 HD12 LEU 5 HD12 LEU 5 8.349 2.366 2.771 29 HD13 LEU 5 HD13 LEU 5 8.318 4.005 2.127 30 HD21 LEU 5 HD21 LEU 5 6.529 4.982 5.403 31 HD22 LEU 5 HD22 LEU 5 6.166 4.917 3.678 32 HD23 LEU 5 HD23 LEU 5 7.452 5.970 4.270 33 H ALA 6 HN ALA 6 10.558 2.448 6.641 34 HA ALA 6 HA ALA 6 12.131 3.754 4.552 35 HB1 ALA 6 HB1 ALA 6 13.744 3.382 6.866 36 HB2 ALA 6 HB2 ALA 6 12.112 3.742 7.430 37 HB3 ALA 6 HB3 ALA 6 12.935 4.859 6.342 38 H CGU 7 HN GLA 7 12.330 0.690 6.334 39 HA CGU 7 HA GLA 7 14.931 -0.040 5.378 40 HB2 CGU 7 HB1 GLA 7 14.309 -2.341 6.006 41 HB3 CGU 7 HB2 GLA 7 12.626 -1.851 6.169 42 HG CGU 7 HG GLA 7 13.372 -0.168 7.896 43 H LYS 8 HN LYS 8 11.731 -0.196 3.920 44 HA LYS 8 HA LYS 8 12.542 -1.996 1.782 45 HB2 LYS 8 HB2 LYS 8 10.135 -0.397 2.467 46 HB3 LYS 8 HB1 LYS 8 10.377 -0.742 0.755 47 HG2 LYS 8 HG2 LYS 8 9.055 -2.533 1.727 48 HG3 LYS 8 HG1 LYS 8 10.658 -3.161 1.339 49 HD2 LYS 8 HD2 LYS 8 11.319 -2.671 3.736 50 HD3 LYS 8 HD1 LYS 8 9.617 -2.333 4.058 51 HE2 LYS 8 HE2 LYS 8 10.782 -4.946 3.057 52 HE3 LYS 8 HE1 LYS 8 10.060 -4.650 4.638 53 HZ1 LYS 8 HZ1 LYS 8 8.640 -4.407 2.042 54 HZ2 LYS 8 HZ2 LYS 8 7.957 -4.197 3.584 55 HZ3 LYS 8 HZ3 LYS 8 8.516 -5.727 3.101 56 H ALA 9 HN ALA 9 12.404 1.516 2.228 57 HA ALA 9 HA ALA 9 13.100 2.044 -0.568 58 HB1 ALA 9 HB1 ALA 9 13.001 3.826 1.883 59 HB2 ALA 9 HB2 ALA 9 11.788 3.709 0.608 60 HB3 ALA 9 HB3 ALA 9 13.370 4.405 0.258 61 H ALA 10 HN ALA 10 14.792 1.679 2.494 62 HA ALA 10 HA ALA 10 17.299 2.803 1.636 63 HB1 ALA 10 HB1 ALA 10 18.193 1.241 3.516 64 HB2 ALA 10 HB2 ALA 10 16.491 0.890 3.821 65 HB3 ALA 10 HB3 ALA 10 17.090 2.542 3.969 66 H CGU 11 HN GLA 11 15.780 -0.331 1.219 67 HA CGU 11 HA GLA 11 18.266 -1.601 0.299 68 HB2 CGU 11 HB1 GLA 11 15.392 -2.558 0.007 69 HB3 CGU 11 HB2 GLA 11 16.499 -3.024 1.307 70 HG CGU 11 HG GLA 11 17.319 -3.440 -1.559 71 H PHE 12 HN PHE 12 15.229 -0.515 -1.290 72 HA PHE 12 HA PHE 12 15.924 -1.057 -3.967 73 HB2 PHE 12 HB2 PHE 12 14.768 1.660 -3.176 74 HB3 PHE 12 HB1 PHE 12 14.458 0.712 -4.660 75 HD1 PHE 12 HD1 PHE 12 12.216 1.740 -2.913 76 HD2 PHE 12 HD2 PHE 12 14.391 -1.973 -2.726 77 HE1 PHE 12 HE1 PHE 12 10.283 0.652 -1.831 78 HE2 PHE 12 HE2 PHE 12 12.451 -3.044 -1.646 79 HZ PHE 12 HZ PHE 12 10.397 -1.739 -1.198 80 H ALA 13 HN ALA 13 17.284 1.293 -1.758 81 HA ALA 13 HA ALA 13 18.747 2.812 -3.749 82 HB1 ALA 13 HB1 ALA 13 19.123 4.062 -1.904 83 HB2 ALA 13 HB2 ALA 13 20.279 2.840 -1.375 84 HB3 ALA 13 HB3 ALA 13 18.597 2.749 -0.851 85 H ARG 14 HN ARG 14 19.892 0.251 -1.475 86 HA ARG 14 HA ARG 14 22.470 -0.097 -2.441 87 HB2 ARG 14 HB2 ARG 14 20.442 -2.052 -1.387 88 HB3 ARG 14 HB1 ARG 14 21.992 -2.643 -1.984 89 HG2 ARG 14 HG2 ARG 14 22.198 -2.231 0.399 90 HG3 ARG 14 HG1 ARG 14 23.136 -1.010 -0.460 91 HD2 ARG 14 HD2 ARG 14 21.345 0.617 -0.203 92 HD3 ARG 14 HD1 ARG 14 20.299 -0.602 0.524 93 HE ARG 14 HE ARG 14 21.338 -0.045 2.551 94 HH11 ARG 14 HH11 ARG 14 23.361 0.786 -0.095 95 HH12 ARG 14 HH12 ARG 14 24.764 1.060 0.884 96 HH21 ARG 14 HH21 ARG 14 23.221 0.097 3.835 97 HH22 ARG 14 HH22 ARG 14 24.685 0.670 3.108 98 H CGU 15 HN GLA 15 19.471 -1.116 -4.023 99 HA CGU 15 HA GLA 15 20.981 -2.585 -6.098 100 HB2 CGU 15 HB1 GLA 15 18.955 -3.412 -6.841 101 HB3 CGU 15 HB2 GLA 15 18.073 -1.940 -6.441 102 HG CGU 15 HG GLA 15 18.091 -2.492 -4.091 103 H LEU 16 HN LEU 16 19.387 0.528 -5.677 104 HA LEU 16 HA LEU 16 19.309 1.312 -8.421 105 HB2 LEU 16 HB2 LEU 16 18.226 2.503 -6.443 106 HB3 LEU 16 HB1 LEU 16 19.819 3.169 -6.085 107 HG LEU 16 HG LEU 16 18.454 3.452 -8.774 108 HD11 LEU 16 HD11 LEU 16 17.102 4.907 -7.670 109 HD12 LEU 16 HD12 LEU 16 18.520 5.956 -7.653 110 HD13 LEU 16 HD13 LEU 16 18.150 4.948 -6.253 111 HD21 LEU 16 HD21 LEU 16 21.041 4.301 -7.569 112 HD22 LEU 16 HD22 LEU 16 20.222 5.483 -8.588 113 HD23 LEU 16 HD23 LEU 16 20.658 3.906 -9.244 114 H ALA 17 HN ALA 17 21.785 1.988 -5.920 115 HA ALA 17 HA ALA 17 23.628 3.336 -7.576 116 HB1 ALA 17 HB1 ALA 17 25.366 2.351 -5.956 117 HB2 ALA 17 HB2 ALA 17 24.006 1.553 -5.168 118 HB3 ALA 17 HB3 ALA 17 24.073 3.313 -5.240 119 H ASN 18 HN ASN 18 22.846 -0.059 -7.386 120 HA ASN 18 HA ASN 18 25.242 -0.841 -8.931 121 HB2 ASN 18 HB2 ASN 18 22.969 -2.742 -8.552 122 HB3 ASN 18 HB1 ASN 18 24.705 -3.021 -8.430 123 HD21 ASN 18 HD21 ASN 18 24.641 -0.369 -6.661 124 HD22 ASN 18 HD22 ASN 18 24.217 -0.994 -5.113 125 H TYR 19 HN TYR 19 22.585 0.767 -9.836 126 HA TYR 19 HA TYR 19 21.868 -0.849 -12.184 127 HB2 TYR 19 HB2 TYR 19 20.017 0.328 -11.337 128 HB3 TYR 19 HB1 TYR 19 20.961 1.788 -11.047 129 HD1 TYR 19 HD1 TYR 19 20.258 -0.477 -13.953 130 HD2 TYR 19 HD2 TYR 19 20.513 3.547 -12.477 131 HE1 TYR 19 HE1 TYR 19 19.626 0.383 -16.195 132 HE2 TYR 19 HE2 TYR 19 19.880 4.410 -14.718 133 HH TYR 19 HH TYR 19 19.905 2.485 -17.499 134 HN1 NH2 20 H1 NH2 20 24.083 1.743 -11.380 135 HN2 NH2 20 H2 NH2 20 24.610 2.054 -12.990 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 6.340 7.332 8.103 2 H2 GLY 1 HT2 GLY 1 7.283 6.038 8.672 3 H3 GLY 1 HT3 GLY 1 7.330 7.542 9.463 4 HA2 GLY 1 HA1 GLY 1 5.547 7.095 10.690 5 HA3 GLY 1 HA2 GLY 1 4.674 6.485 9.283 6 H GLU 2 HN GLU 2 6.798 4.531 8.626 7 HA GLU 2 HA GLU 2 6.444 2.649 10.922 8 HB2 GLU 2 HB2 GLU 2 4.962 2.198 8.881 9 HB3 GLU 2 HB1 GLU 2 6.449 1.817 8.012 10 HG2 GLU 2 HG2 GLU 2 5.523 -0.249 8.882 11 HG3 GLU 2 HG1 GLU 2 6.986 0.130 9.791 12 H CGU 3 HN GLA 3 8.118 0.923 10.977 13 HA CGU 3 HA GLA 3 10.747 2.057 10.234 14 HB2 CGU 3 HB1 GLA 3 10.060 -0.468 11.778 15 HB3 CGU 3 HB2 GLA 3 10.403 1.102 12.498 16 HG CGU 3 HG GLA 3 12.312 -0.449 10.719 17 H CGU 4 HN GLA 4 8.577 -0.475 9.223 18 HA CGU 4 HA GLA 4 10.597 -1.950 7.713 19 HB2 CGU 4 HB1 GLA 4 8.740 -3.241 6.848 20 HB3 CGU 4 HB2 GLA 4 7.586 -2.008 7.362 21 HG CGU 4 HG GLA 4 9.421 -3.272 9.371 22 H LEU 5 HN LEU 5 8.619 0.805 7.243 23 HA LEU 5 HA LEU 5 8.692 0.791 4.333 24 HB2 LEU 5 HB2 LEU 5 6.880 2.056 5.158 25 HB3 LEU 5 HB1 LEU 5 7.835 2.718 6.482 26 HG LEU 5 HG LEU 5 9.090 4.119 4.897 27 HD11 LEU 5 HD11 LEU 5 7.146 3.176 2.776 28 HD12 LEU 5 HD12 LEU 5 8.756 2.484 2.952 29 HD13 LEU 5 HD13 LEU 5 8.570 4.191 2.559 30 HD21 LEU 5 HD21 LEU 5 7.281 5.661 4.354 31 HD22 LEU 5 HD22 LEU 5 6.967 4.930 5.928 32 HD23 LEU 5 HD23 LEU 5 6.095 4.364 4.504 33 H ALA 6 HN ALA 6 10.619 2.198 6.939 34 HA ALA 6 HA ALA 6 12.239 3.847 5.177 35 HB1 ALA 6 HB1 ALA 6 11.951 3.776 7.885 36 HB2 ALA 6 HB2 ALA 6 13.312 4.548 7.071 37 HB3 ALA 6 HB3 ALA 6 13.479 2.911 7.705 38 H CGU 7 HN GLA 7 12.425 0.521 6.321 39 HA CGU 7 HA GLA 7 15.147 0.104 5.408 40 HB2 CGU 7 HB1 GLA 7 14.667 -2.286 5.747 41 HB3 CGU 7 HB2 GLA 7 12.952 -1.929 5.928 42 HG CGU 7 HG GLA 7 13.552 -0.431 7.865 43 H LYS 8 HN LYS 8 11.976 -0.060 3.886 44 HA LYS 8 HA LYS 8 13.032 -1.478 1.540 45 HB2 LYS 8 HB2 LYS 8 10.356 -0.163 2.067 46 HB3 LYS 8 HB1 LYS 8 10.750 -1.049 0.596 47 HG2 LYS 8 HG2 LYS 8 11.085 -2.304 3.321 48 HG3 LYS 8 HG1 LYS 8 9.540 -2.348 2.472 49 HD2 LYS 8 HD2 LYS 8 10.767 -3.328 0.486 50 HD3 LYS 8 HD1 LYS 8 12.184 -3.483 1.526 51 HE2 LYS 8 HE2 LYS 8 9.472 -4.701 2.116 52 HE3 LYS 8 HE1 LYS 8 10.847 -5.580 1.446 53 HZ1 LYS 8 HZ1 LYS 8 11.523 -4.081 3.790 54 HZ2 LYS 8 HZ2 LYS 8 11.801 -5.719 3.434 55 HZ3 LYS 8 HZ3 LYS 8 10.312 -5.230 4.090 56 H ALA 9 HN ALA 9 12.502 1.861 2.503 57 HA ALA 9 HA ALA 9 12.686 2.908 -0.209 58 HB1 ALA 9 HB1 ALA 9 11.549 4.114 1.685 59 HB2 ALA 9 HB2 ALA 9 12.755 5.092 0.850 60 HB3 ALA 9 HB3 ALA 9 13.136 4.367 2.412 61 H ALA 10 HN ALA 10 14.896 2.998 2.610 62 HA ALA 10 HA ALA 10 17.123 4.072 1.214 63 HB1 ALA 10 HB1 ALA 10 17.473 4.084 3.501 64 HB2 ALA 10 HB2 ALA 10 18.392 2.641 3.070 65 HB3 ALA 10 HB3 ALA 10 16.761 2.486 3.724 66 H CGU 11 HN GLA 11 16.029 0.717 1.612 67 HA CGU 11 HA GLA 11 18.349 -0.473 0.383 68 HB2 CGU 11 HB1 GLA 11 15.522 -1.407 0.879 69 HB3 CGU 11 HB2 GLA 11 17.022 -2.048 1.556 70 HG CGU 11 HG GLA 11 17.590 -2.631 -0.934 71 H PHE 12 HN PHE 12 15.133 0.384 -0.932 72 HA PHE 12 HA PHE 12 15.534 -0.446 -3.609 73 HB2 PHE 12 HB2 PHE 12 13.383 0.661 -3.078 74 HB3 PHE 12 HB1 PHE 12 14.227 2.218 -2.769 75 HD1 PHE 12 HD1 PHE 12 14.305 -0.414 -5.512 76 HD2 PHE 12 HD2 PHE 12 13.984 3.765 -4.529 77 HE1 PHE 12 HE1 PHE 12 14.157 0.145 -7.908 78 HE2 PHE 12 HE2 PHE 12 13.835 4.308 -6.929 79 HZ PHE 12 HZ PHE 12 13.922 2.504 -8.622 80 H ALA 13 HN ALA 13 17.015 2.238 -1.906 81 HA ALA 13 HA ALA 13 18.211 3.503 -4.206 82 HB1 ALA 13 HB1 ALA 13 19.324 4.860 -2.716 83 HB2 ALA 13 HB2 ALA 13 19.721 3.527 -1.633 84 HB3 ALA 13 HB3 ALA 13 18.101 4.226 -1.616 85 H ARG 14 HN ARG 14 19.670 1.208 -1.839 86 HA ARG 14 HA ARG 14 22.161 0.865 -2.990 87 HB2 ARG 14 HB2 ARG 14 20.389 -1.358 -1.929 88 HB3 ARG 14 HB1 ARG 14 22.144 -1.422 -2.086 89 HG2 ARG 14 HG2 ARG 14 20.621 0.562 -0.371 90 HG3 ARG 14 HG1 ARG 14 21.453 -0.871 0.232 91 HD2 ARG 14 HD2 ARG 14 23.527 0.122 -1.016 92 HD3 ARG 14 HD1 ARG 14 22.625 1.636 -0.949 93 HE ARG 14 HE ARG 14 24.020 0.467 1.252 94 HH11 ARG 14 HH11 ARG 14 21.835 -0.083 2.787 95 HH12 ARG 14 HH12 ARG 14 21.181 1.428 3.324 96 HH21 ARG 14 HH21 ARG 14 22.835 3.301 0.918 97 HH22 ARG 14 HH22 ARG 14 21.746 3.345 2.264 98 H CGU 15 HN GLA 15 19.131 -0.737 -4.027 99 HA CGU 15 HA GLA 15 20.239 -2.403 -6.053 100 HB2 CGU 15 HB1 GLA 15 18.086 -2.527 -7.013 101 HB3 CGU 15 HB2 GLA 15 17.664 -0.885 -6.534 102 HG CGU 15 HG GLA 15 17.352 -1.522 -4.265 103 H LEU 16 HN LEU 16 19.036 0.962 -6.410 104 HA LEU 16 HA LEU 16 19.743 1.355 -9.100 105 HB2 LEU 16 HB2 LEU 16 19.561 3.172 -6.721 106 HB3 LEU 16 HB1 LEU 16 20.252 3.800 -8.218 107 HG LEU 16 HG LEU 16 17.786 4.174 -8.057 108 HD11 LEU 16 HD11 LEU 16 17.986 2.200 -10.249 109 HD12 LEU 16 HD12 LEU 16 19.265 3.416 -10.224 110 HD13 LEU 16 HD13 LEU 16 17.575 3.914 -10.310 111 HD21 LEU 16 HD21 LEU 16 17.236 2.125 -6.799 112 HD22 LEU 16 HD22 LEU 16 17.712 1.143 -8.184 113 HD23 LEU 16 HD23 LEU 16 16.309 2.204 -8.298 114 H ALA 17 HN ALA 17 21.795 1.048 -6.309 115 HA ALA 17 HA ALA 17 24.143 2.198 -7.633 116 HB1 ALA 17 HB1 ALA 17 24.358 0.417 -5.236 117 HB2 ALA 17 HB2 ALA 17 23.568 1.983 -5.049 118 HB3 ALA 17 HB3 ALA 17 25.238 1.899 -5.611 119 H ASN 18 HN ASN 18 22.687 -0.961 -7.214 120 HA ASN 18 HA ASN 18 25.093 -2.360 -8.210 121 HB2 ASN 18 HB2 ASN 18 22.445 -3.743 -8.099 122 HB3 ASN 18 HB1 ASN 18 24.037 -4.316 -7.605 123 HD21 ASN 18 HD21 ASN 18 24.241 -1.507 -6.142 124 HD22 ASN 18 HD22 ASN 18 23.417 -1.816 -4.661 125 H TYR 19 HN TYR 19 23.150 -0.367 -9.743 126 HA TYR 19 HA TYR 19 22.441 -2.081 -12.039 127 HB2 TYR 19 HB2 TYR 19 20.745 -0.527 -11.753 128 HB3 TYR 19 HB1 TYR 19 21.846 0.725 -11.182 129 HD1 TYR 19 HD1 TYR 19 23.552 1.665 -12.911 130 HD2 TYR 19 HD2 TYR 19 20.007 -0.514 -13.972 131 HE1 TYR 19 HE1 TYR 19 23.654 2.616 -15.200 132 HE2 TYR 19 HE2 TYR 19 20.108 0.436 -16.263 133 HH TYR 19 HH TYR 19 21.259 1.700 -17.677 134 HN1 NH2 20 H1 NH2 20 24.878 0.318 -11.115 135 HN2 NH2 20 H2 NH2 20 25.756 0.255 -12.596 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 6.461 2.623 13.789 2 H2 GLY 1 HT2 GLY 1 5.835 3.637 15.000 3 H3 GLY 1 HT3 GLY 1 7.478 3.729 14.575 4 HA2 GLY 1 HA1 GLY 1 5.135 4.822 13.221 5 HA3 GLY 1 HA2 GLY 1 6.758 5.496 13.384 6 H GLU 2 HN GLU 2 7.156 5.851 11.184 7 HA GLU 2 HA GLU 2 6.685 3.731 9.217 8 HB2 GLU 2 HB2 GLU 2 8.287 6.277 8.862 9 HB3 GLU 2 HB1 GLU 2 7.535 5.300 7.601 10 HG2 GLU 2 HG2 GLU 2 5.970 6.661 9.809 11 HG3 GLU 2 HG1 GLU 2 6.242 7.384 8.224 12 H CGU 3 HN GLA 3 8.060 2.104 10.337 13 HA CGU 3 HA GLA 3 10.982 2.603 9.942 14 HB2 CGU 3 HB1 GLA 3 9.594 0.530 11.670 15 HB3 CGU 3 HB2 GLA 3 10.314 2.028 12.254 16 HG CGU 3 HG GLA 3 11.817 -0.151 10.768 17 H CGU 4 HN GLA 4 8.283 0.635 9.002 18 HA CGU 4 HA GLA 4 9.969 -1.434 7.761 19 HB2 CGU 4 HB1 GLA 4 7.948 -2.523 7.166 20 HB3 CGU 4 HB2 GLA 4 7.017 -1.028 7.246 21 HG CGU 4 HG GLA 4 8.401 -2.217 9.652 22 H LEU 5 HN LEU 5 8.427 1.540 6.904 23 HA LEU 5 HA LEU 5 8.580 1.121 4.021 24 HB2 LEU 5 HB2 LEU 5 8.100 3.595 5.712 25 HB3 LEU 5 HB1 LEU 5 8.137 3.617 3.958 26 HG LEU 5 HG LEU 5 5.835 3.343 5.144 27 HD11 LEU 5 HD11 LEU 5 5.643 3.090 2.868 28 HD12 LEU 5 HD12 LEU 5 5.355 1.415 3.334 29 HD13 LEU 5 HD13 LEU 5 6.953 1.912 2.782 30 HD21 LEU 5 HD21 LEU 5 6.837 0.481 5.218 31 HD22 LEU 5 HD22 LEU 5 5.242 1.053 5.702 32 HD23 LEU 5 HD23 LEU 5 6.662 1.506 6.643 33 H ALA 6 HN ALA 6 10.706 2.228 6.517 34 HA ALA 6 HA ALA 6 12.530 3.579 4.639 35 HB1 ALA 6 HB1 ALA 6 13.408 2.812 7.398 36 HB2 ALA 6 HB2 ALA 6 12.152 4.040 7.239 37 HB3 ALA 6 HB3 ALA 6 13.728 4.290 6.492 38 H CGU 7 HN GLA 7 12.299 0.478 6.325 39 HA CGU 7 HA GLA 7 14.934 -0.433 5.590 40 HB2 CGU 7 HB1 GLA 7 14.057 -2.691 6.163 41 HB3 CGU 7 HB2 GLA 7 12.439 -2.019 6.288 42 HG CGU 7 HG GLA 7 13.280 -0.451 8.048 43 H LYS 8 HN LYS 8 11.809 -0.422 3.954 44 HA LYS 8 HA LYS 8 12.714 -2.247 1.859 45 HB2 LYS 8 HB2 LYS 8 10.264 -0.494 2.154 46 HB3 LYS 8 HB1 LYS 8 10.568 -1.484 0.728 47 HG2 LYS 8 HG2 LYS 8 10.608 -3.505 2.067 48 HG3 LYS 8 HG1 LYS 8 10.492 -2.568 3.557 49 HD2 LYS 8 HD2 LYS 8 8.274 -1.741 2.874 50 HD3 LYS 8 HD1 LYS 8 8.387 -2.662 1.373 51 HE2 LYS 8 HE2 LYS 8 7.055 -3.866 3.088 52 HE3 LYS 8 HE1 LYS 8 8.509 -4.759 2.644 53 HZ1 LYS 8 HZ1 LYS 8 7.758 -4.007 5.172 54 HZ2 LYS 8 HZ2 LYS 8 9.014 -2.936 4.770 55 HZ3 LYS 8 HZ3 LYS 8 9.271 -4.614 4.707 56 H ALA 9 HN ALA 9 12.616 1.246 2.356 57 HA ALA 9 HA ALA 9 13.327 1.796 -0.442 58 HB1 ALA 9 HB1 ALA 9 13.685 4.157 0.557 59 HB2 ALA 9 HB2 ALA 9 12.993 3.490 2.036 60 HB3 ALA 9 HB3 ALA 9 12.040 3.520 0.553 61 H ALA 10 HN ALA 10 14.920 1.215 2.595 62 HA ALA 10 HA ALA 10 17.455 2.419 1.908 63 HB1 ALA 10 HB1 ALA 10 17.340 2.024 4.188 64 HB2 ALA 10 HB2 ALA 10 18.211 0.576 3.683 65 HB3 ALA 10 HB3 ALA 10 16.476 0.500 3.984 66 H CGU 11 HN GLA 11 16.018 -0.788 1.454 67 HA CGU 11 HA GLA 11 18.496 -1.910 0.386 68 HB2 CGU 11 HB1 GLA 11 15.632 -2.900 0.413 69 HB3 CGU 11 HB2 GLA 11 16.998 -3.530 1.339 70 HG CGU 11 HG GLA 11 17.990 -3.816 -1.159 71 H PHE 12 HN PHE 12 15.340 -1.026 -1.131 72 HA PHE 12 HA PHE 12 16.087 -1.466 -3.817 73 HB2 PHE 12 HB2 PHE 12 14.610 1.086 -3.004 74 HB3 PHE 12 HB1 PHE 12 14.436 0.141 -4.511 75 HD1 PHE 12 HD1 PHE 12 14.395 -2.672 -3.225 76 HD2 PHE 12 HD2 PHE 12 12.326 0.960 -2.197 77 HE1 PHE 12 HE1 PHE 12 12.586 -3.986 -2.188 78 HE2 PHE 12 HE2 PHE 12 10.523 -0.368 -1.162 79 HZ PHE 12 HZ PHE 12 10.649 -2.840 -1.154 80 H ALA 13 HN ALA 13 17.161 1.030 -1.609 81 HA ALA 13 HA ALA 13 18.400 2.747 -3.569 82 HB1 ALA 13 HB1 ALA 13 18.490 2.457 -0.644 83 HB2 ALA 13 HB2 ALA 13 18.590 3.916 -1.629 84 HB3 ALA 13 HB3 ALA 13 20.036 2.953 -1.336 85 H ARG 14 HN ARG 14 19.882 0.216 -1.477 86 HA ARG 14 HA ARG 14 22.449 0.186 -2.517 87 HB2 ARG 14 HB2 ARG 14 20.763 -2.246 -1.841 88 HB3 ARG 14 HB1 ARG 14 22.526 -2.202 -1.913 89 HG2 ARG 14 HG2 ARG 14 20.732 -0.704 0.016 90 HG3 ARG 14 HG1 ARG 14 21.892 -1.974 0.405 91 HD2 ARG 14 HD2 ARG 14 22.430 0.867 -0.441 92 HD3 ARG 14 HD1 ARG 14 23.056 -0.007 0.956 93 HE ARG 14 HE ARG 14 23.919 -1.232 -1.522 94 HH11 ARG 14 HH11 ARG 14 25.047 0.043 1.289 95 HH12 ARG 14 HH12 ARG 14 26.440 0.826 0.622 96 HH21 ARG 14 HH21 ARG 14 25.458 0.360 -2.670 97 HH22 ARG 14 HH22 ARG 14 26.672 1.008 -1.619 98 H CGU 15 HN GLA 15 19.564 -1.365 -3.946 99 HA CGU 15 HA GLA 15 21.100 -2.457 -6.190 100 HB2 CGU 15 HB1 GLA 15 19.097 -3.341 -6.984 101 HB3 CGU 15 HB2 GLA 15 18.129 -2.002 -6.376 102 HG CGU 15 HG GLA 15 18.302 -2.820 -4.114 103 H LEU 16 HN LEU 16 18.839 0.281 -5.785 104 HA LEU 16 HA LEU 16 18.889 1.282 -8.406 105 HB2 LEU 16 HB2 LEU 16 17.616 2.151 -6.316 106 HB3 LEU 16 HB1 LEU 16 19.063 3.113 -6.015 107 HG LEU 16 HG LEU 16 17.605 3.127 -8.668 108 HD11 LEU 16 HD11 LEU 16 16.748 5.376 -7.849 109 HD12 LEU 16 HD12 LEU 16 17.273 4.898 -6.234 110 HD13 LEU 16 HD13 LEU 16 16.027 3.969 -7.067 111 HD21 LEU 16 HD21 LEU 16 19.553 4.172 -9.212 112 HD22 LEU 16 HD22 LEU 16 19.999 4.411 -7.523 113 HD23 LEU 16 HD23 LEU 16 18.893 5.537 -8.310 114 H ALA 17 HN ALA 17 21.320 1.520 -5.868 115 HA ALA 17 HA ALA 17 22.968 3.466 -7.240 116 HB1 ALA 17 HB1 ALA 17 23.373 3.320 -4.925 117 HB2 ALA 17 HB2 ALA 17 24.752 2.473 -5.627 118 HB3 ALA 17 HB3 ALA 17 23.405 1.557 -4.949 119 H ASN 18 HN ASN 18 22.697 -0.036 -7.302 120 HA ASN 18 HA ASN 18 25.190 -0.349 -8.849 121 HB2 ASN 18 HB2 ASN 18 23.132 -2.529 -8.711 122 HB3 ASN 18 HB1 ASN 18 24.890 -2.634 -8.632 123 HD21 ASN 18 HD21 ASN 18 24.616 -0.208 -6.609 124 HD22 ASN 18 HD22 ASN 18 24.283 -1.017 -5.124 125 H TYR 19 HN TYR 19 22.580 1.160 -9.744 126 HA TYR 19 HA TYR 19 22.115 -0.295 -12.291 127 HB2 TYR 19 HB2 TYR 19 20.036 0.340 -11.457 128 HB3 TYR 19 HB1 TYR 19 20.659 1.835 -10.761 129 HD1 TYR 19 HD1 TYR 19 21.487 3.656 -12.394 130 HD2 TYR 19 HD2 TYR 19 19.004 0.354 -13.564 131 HE1 TYR 19 HE1 TYR 19 20.804 4.893 -14.436 132 HE2 TYR 19 HE2 TYR 19 18.319 1.588 -15.606 133 HH TYR 19 HH TYR 19 19.932 4.241 -16.776 134 HN1 NH2 20 H1 NH2 20 23.572 2.663 -11.000 135 HN2 NH2 20 H2 NH2 20 24.137 3.259 -12.515 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 1.839 0.694 9.073 2 H2 GLY 1 HT2 GLY 1 1.975 1.344 7.509 3 H3 GLY 1 HT3 GLY 1 2.223 2.333 8.869 4 HA2 GLY 1 HA1 GLY 1 4.026 0.381 9.292 5 HA3 GLY 1 HA2 GLY 1 4.042 0.537 7.535 6 H GLU 2 HN GLU 2 6.052 1.394 9.615 7 HA GLU 2 HA GLU 2 6.463 4.108 8.525 8 HB2 GLU 2 HB2 GLU 2 5.207 4.601 10.541 9 HB3 GLU 2 HB1 GLU 2 6.234 3.528 11.492 10 HG2 GLU 2 HG2 GLU 2 6.888 5.894 11.797 11 HG3 GLU 2 HG1 GLU 2 8.179 4.964 11.038 12 H CGU 3 HN GLA 3 7.652 1.454 10.559 13 HA CGU 3 HA GLA 3 10.444 2.383 10.189 14 HB2 CGU 3 HB1 GLA 3 9.353 -0.052 11.640 15 HB3 CGU 3 HB2 GLA 3 9.748 1.491 12.393 16 HG CGU 3 HG GLA 3 11.696 -0.278 10.885 17 H CGU 4 HN GLA 4 8.199 0.061 8.913 18 HA CGU 4 HA GLA 4 10.284 -1.562 7.624 19 HB2 CGU 4 HB1 GLA 4 8.495 -2.872 6.745 20 HB3 CGU 4 HB2 GLA 4 7.332 -1.561 6.950 21 HG CGU 4 HG GLA 4 8.798 -2.792 9.281 22 H LEU 5 HN LEU 5 8.369 1.219 6.947 23 HA LEU 5 HA LEU 5 8.666 1.146 4.058 24 HB2 LEU 5 HB2 LEU 5 7.928 3.378 5.980 25 HB3 LEU 5 HB1 LEU 5 7.994 3.583 4.239 26 HG LEU 5 HG LEU 5 5.704 3.005 5.308 27 HD11 LEU 5 HD11 LEU 5 6.607 1.170 3.085 28 HD12 LEU 5 HD12 LEU 5 6.408 2.905 2.841 29 HD13 LEU 5 HD13 LEU 5 5.025 1.916 3.309 30 HD21 LEU 5 HD21 LEU 5 5.289 0.648 5.687 31 HD22 LEU 5 HD22 LEU 5 6.665 1.124 6.682 32 HD23 LEU 5 HD23 LEU 5 6.926 0.232 5.182 33 H ALA 6 HN ALA 6 10.624 2.170 6.727 34 HA ALA 6 HA ALA 6 12.364 3.850 5.034 35 HB1 ALA 6 HB1 ALA 6 13.247 2.985 7.752 36 HB2 ALA 6 HB2 ALA 6 11.836 4.039 7.658 37 HB3 ALA 6 HB3 ALA 6 13.376 4.565 6.979 38 H CGU 7 HN GLA 7 12.408 0.633 6.521 39 HA CGU 7 HA GLA 7 15.146 0.063 5.797 40 HB2 CGU 7 HB1 GLA 7 14.605 -2.257 6.335 41 HB3 CGU 7 HB2 GLA 7 12.885 -1.899 6.291 42 HG CGU 7 HG GLA 7 13.270 -0.227 8.140 43 H LYS 8 HN LYS 8 12.075 -0.146 4.099 44 HA LYS 8 HA LYS 8 13.214 -1.772 1.936 45 HB2 LYS 8 HB2 LYS 8 10.548 -0.421 2.359 46 HB3 LYS 8 HB1 LYS 8 10.976 -1.163 0.817 47 HG2 LYS 8 HG2 LYS 8 11.451 -3.297 2.017 48 HG3 LYS 8 HG1 LYS 8 10.900 -2.543 3.515 49 HD2 LYS 8 HD2 LYS 8 8.684 -2.166 2.542 50 HD3 LYS 8 HD1 LYS 8 9.224 -2.844 1.006 51 HE2 LYS 8 HE2 LYS 8 8.074 -4.614 2.127 52 HE3 LYS 8 HE1 LYS 8 9.793 -4.971 2.300 53 HZ1 LYS 8 HZ1 LYS 8 9.658 -4.768 4.493 54 HZ2 LYS 8 HZ2 LYS 8 7.967 -4.740 4.325 55 HZ3 LYS 8 HZ3 LYS 8 8.841 -3.284 4.391 56 H ALA 9 HN ALA 9 12.660 1.654 2.595 57 HA ALA 9 HA ALA 9 13.096 2.493 -0.149 58 HB1 ALA 9 HB1 ALA 9 13.762 4.655 1.468 59 HB2 ALA 9 HB2 ALA 9 12.588 3.763 2.438 60 HB3 ALA 9 HB3 ALA 9 12.157 4.312 0.818 61 H ALA 10 HN ALA 10 15.129 2.278 2.769 62 HA ALA 10 HA ALA 10 17.491 3.370 1.557 63 HB1 ALA 10 HB1 ALA 10 17.329 1.337 3.804 64 HB2 ALA 10 HB2 ALA 10 17.156 3.078 4.026 65 HB3 ALA 10 HB3 ALA 10 18.684 2.408 3.451 66 H CGU 11 HN GLA 11 16.148 0.100 1.718 67 HA CGU 11 HA GLA 11 18.483 -1.187 0.580 68 HB2 CGU 11 HB1 GLA 11 15.596 -1.998 0.953 69 HB3 CGU 11 HB2 GLA 11 17.036 -2.707 1.691 70 HG CGU 11 HG GLA 11 17.698 -3.303 -0.764 71 H PHE 12 HN PHE 12 15.308 -0.306 -0.830 72 HA PHE 12 HA PHE 12 15.831 -1.048 -3.510 73 HB2 PHE 12 HB2 PHE 12 13.641 0.005 -3.021 74 HB3 PHE 12 HB1 PHE 12 14.448 1.570 -2.653 75 HD1 PHE 12 HD1 PHE 12 14.673 -1.001 -5.448 76 HD2 PHE 12 HD2 PHE 12 14.216 3.147 -4.387 77 HE1 PHE 12 HE1 PHE 12 14.587 -0.391 -7.836 78 HE2 PHE 12 HE2 PHE 12 14.131 3.740 -6.780 79 HZ PHE 12 HZ PHE 12 14.315 1.975 -8.506 80 H ALA 13 HN ALA 13 17.214 1.579 -1.663 81 HA ALA 13 HA ALA 13 18.448 2.976 -3.863 82 HB1 ALA 13 HB1 ALA 13 20.087 3.019 -1.451 83 HB2 ALA 13 HB2 ALA 13 18.388 3.313 -1.079 84 HB3 ALA 13 HB3 ALA 13 19.227 4.343 -2.238 85 H ARG 14 HN ARG 14 19.903 0.604 -1.568 86 HA ARG 14 HA ARG 14 22.400 0.318 -2.742 87 HB2 ARG 14 HB2 ARG 14 20.574 -1.695 -1.435 88 HB3 ARG 14 HB1 ARG 14 22.132 -2.200 -2.088 89 HG2 ARG 14 HG2 ARG 14 22.292 -1.596 0.316 90 HG3 ARG 14 HG1 ARG 14 23.286 -0.546 -0.695 91 HD2 ARG 14 HD2 ARG 14 21.565 1.188 -0.645 92 HD3 ARG 14 HD1 ARG 14 20.492 0.132 0.274 93 HE ARG 14 HE ARG 14 22.461 1.783 1.441 94 HH11 ARG 14 HH11 ARG 14 20.668 -1.033 1.912 95 HH12 ARG 14 HH12 ARG 14 21.565 -1.576 3.292 96 HH21 ARG 14 HH21 ARG 14 23.993 0.886 3.011 97 HH22 ARG 14 HH22 ARG 14 23.450 -0.491 3.912 98 H CGU 15 HN GLA 15 19.354 -1.179 -3.845 99 HA CGU 15 HA GLA 15 20.601 -2.690 -5.988 100 HB2 CGU 15 HB1 GLA 15 18.445 -3.245 -6.689 101 HB3 CGU 15 HB2 GLA 15 17.766 -1.692 -6.212 102 HG CGU 15 HG GLA 15 17.761 -2.297 -3.907 103 H LEU 16 HN LEU 16 19.390 0.600 -5.687 104 HA LEU 16 HA LEU 16 19.310 1.273 -8.457 105 HB2 LEU 16 HB2 LEU 16 18.400 2.709 -6.637 106 HB3 LEU 16 HB1 LEU 16 20.047 3.063 -6.117 107 HG LEU 16 HG LEU 16 19.077 3.593 -8.934 108 HD11 LEU 16 HD11 LEU 16 17.712 4.909 -7.367 109 HD12 LEU 16 HD12 LEU 16 18.839 5.957 -8.229 110 HD13 LEU 16 HD13 LEU 16 19.173 5.486 -6.564 111 HD21 LEU 16 HD21 LEU 16 21.337 3.824 -9.136 112 HD22 LEU 16 HD22 LEU 16 21.574 3.975 -7.396 113 HD23 LEU 16 HD23 LEU 16 21.069 5.375 -8.341 114 H ALA 17 HN ALA 17 21.945 1.639 -6.069 115 HA ALA 17 HA ALA 17 23.900 2.749 -7.753 116 HB1 ALA 17 HB1 ALA 17 24.654 2.629 -5.578 117 HB2 ALA 17 HB2 ALA 17 25.466 1.206 -6.231 118 HB3 ALA 17 HB3 ALA 17 23.969 1.024 -5.317 119 H ASN 18 HN ASN 18 22.768 -0.584 -7.549 120 HA ASN 18 HA ASN 18 24.938 -1.733 -9.092 121 HB2 ASN 18 HB2 ASN 18 22.159 -2.890 -9.201 122 HB3 ASN 18 HB1 ASN 18 23.713 -3.716 -9.102 123 HD21 ASN 18 HD21 ASN 18 24.191 -1.378 -6.904 124 HD22 ASN 18 HD22 ASN 18 23.557 -2.135 -5.493 125 H TYR 19 HN TYR 19 22.230 0.219 -9.955 126 HA TYR 19 HA TYR 19 22.192 -0.678 -12.753 127 HB2 TYR 19 HB2 TYR 19 20.070 0.028 -12.111 128 HB3 TYR 19 HB1 TYR 19 20.697 1.340 -11.113 129 HD1 TYR 19 HD1 TYR 19 21.074 0.290 -14.698 130 HD2 TYR 19 HD2 TYR 19 20.171 3.445 -11.929 131 HE1 TYR 19 HE1 TYR 19 20.787 1.869 -16.592 132 HE2 TYR 19 HE2 TYR 19 19.884 5.024 -13.822 133 HH TYR 19 HH TYR 19 20.175 5.320 -16.028 134 HN1 NH2 20 H1 NH2 20 23.358 2.164 -10.898 135 HN2 NH2 20 H2 NH2 20 24.311 2.806 -12.181 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 2.870 2.482 7.364 2 H2 GLY 1 HT2 GLY 1 2.769 4.098 6.850 3 H3 GLY 1 HT3 GLY 1 3.112 3.742 8.475 4 HA2 GLY 1 HA1 GLY 1 5.029 2.423 6.957 5 HA3 GLY 1 HA2 GLY 1 4.904 4.066 6.327 6 H GLU 2 HN GLU 2 7.069 2.821 7.943 7 HA GLU 2 HA GLU 2 7.534 5.027 9.746 8 HB2 GLU 2 HB2 GLU 2 5.904 3.743 11.115 9 HB3 GLU 2 HB1 GLU 2 6.958 2.332 11.018 10 HG2 GLU 2 HG2 GLU 2 7.435 3.418 13.111 11 HG3 GLU 2 HG1 GLU 2 8.792 3.754 12.035 12 H CGU 3 HN GLA 3 8.636 1.948 10.853 13 HA CGU 3 HA GLA 3 11.364 2.606 9.895 14 HB2 CGU 3 HB1 GLA 3 10.381 0.398 11.733 15 HB3 CGU 3 HB2 GLA 3 11.057 1.937 12.255 16 HG CGU 3 HG GLA 3 12.481 -0.176 10.610 17 H CGU 4 HN GLA 4 8.744 0.450 9.242 18 HA CGU 4 HA GLA 4 10.383 -1.478 7.747 19 HB2 CGU 4 HB1 GLA 4 8.351 -2.637 7.319 20 HB3 CGU 4 HB2 GLA 4 7.377 -1.191 7.583 21 HG CGU 4 HG GLA 4 9.087 -2.416 9.748 22 H LEU 5 HN LEU 5 8.682 1.457 7.197 23 HA LEU 5 HA LEU 5 8.451 1.178 4.308 24 HB2 LEU 5 HB2 LEU 5 6.865 2.672 5.257 25 HB3 LEU 5 HB1 LEU 5 8.065 3.395 6.323 26 HG LEU 5 HG LEU 5 9.170 4.426 4.368 27 HD11 LEU 5 HD11 LEU 5 7.065 2.846 2.946 28 HD12 LEU 5 HD12 LEU 5 8.731 3.170 2.469 29 HD13 LEU 5 HD13 LEU 5 7.503 4.420 2.282 30 HD21 LEU 5 HD21 LEU 5 7.470 6.122 3.967 31 HD22 LEU 5 HD22 LEU 5 7.366 5.598 5.648 32 HD23 LEU 5 HD23 LEU 5 6.197 5.007 4.467 33 H ALA 6 HN ALA 6 10.833 2.332 6.587 34 HA ALA 6 HA ALA 6 12.418 3.730 4.553 35 HB1 ALA 6 HB1 ALA 6 12.409 3.651 7.386 36 HB2 ALA 6 HB2 ALA 6 13.453 4.620 6.347 37 HB3 ALA 6 HB3 ALA 6 13.977 3.023 6.880 38 H CGU 7 HN GLA 7 12.494 0.574 6.170 39 HA CGU 7 HA GLA 7 15.006 -0.260 5.053 40 HB2 CGU 7 HB1 GLA 7 14.277 -2.542 5.665 41 HB3 CGU 7 HB2 GLA 7 12.653 -1.941 5.969 42 HG CGU 7 HG GLA 7 13.629 -0.368 7.674 43 H LYS 8 HN LYS 8 11.724 -0.203 3.784 44 HA LYS 8 HA LYS 8 12.360 -2.004 1.577 45 HB2 LYS 8 HB2 LYS 8 10.004 -0.200 2.164 46 HB3 LYS 8 HB1 LYS 8 10.142 -1.107 0.662 47 HG2 LYS 8 HG2 LYS 8 10.419 -3.198 2.017 48 HG3 LYS 8 HG1 LYS 8 10.106 -2.246 3.469 49 HD2 LYS 8 HD2 LYS 8 7.909 -1.561 2.500 50 HD3 LYS 8 HD1 LYS 8 8.217 -2.627 1.128 51 HE2 LYS 8 HE2 LYS 8 8.364 -4.559 2.649 52 HE3 LYS 8 HE1 LYS 8 8.075 -3.501 4.030 53 HZ1 LYS 8 HZ1 LYS 8 5.983 -2.835 2.687 54 HZ2 LYS 8 HZ2 LYS 8 5.981 -4.282 3.576 55 HZ3 LYS 8 HZ3 LYS 8 6.224 -4.315 1.895 56 H ALA 9 HN ALA 9 12.345 1.504 2.094 57 HA ALA 9 HA ALA 9 12.955 1.994 -0.754 58 HB1 ALA 9 HB1 ALA 9 13.023 4.372 -0.071 59 HB2 ALA 9 HB2 ALA 9 12.844 3.891 1.617 60 HB3 ALA 9 HB3 ALA 9 11.532 3.601 0.474 61 H ALA 10 HN ALA 10 14.582 1.823 2.360 62 HA ALA 10 HA ALA 10 17.072 2.981 1.473 63 HB1 ALA 10 HB1 ALA 10 16.842 2.921 3.810 64 HB2 ALA 10 HB2 ALA 10 17.952 1.585 3.502 65 HB3 ALA 10 HB3 ALA 10 16.244 1.262 3.804 66 H CGU 11 HN GLA 11 15.594 -0.148 1.135 67 HA CGU 11 HA GLA 11 18.155 -1.433 0.408 68 HB2 CGU 11 HB1 GLA 11 15.324 -2.525 0.199 69 HB3 CGU 11 HB2 GLA 11 16.431 -2.816 1.547 70 HG CGU 11 HG GLA 11 17.484 -3.426 -1.168 71 H PHE 12 HN PHE 12 15.061 -0.656 -1.262 72 HA PHE 12 HA PHE 12 15.832 -1.362 -3.886 73 HB2 PHE 12 HB2 PHE 12 14.448 1.309 -3.326 74 HB3 PHE 12 HB1 PHE 12 14.245 0.231 -4.736 75 HD1 PHE 12 HD1 PHE 12 14.163 -2.418 -3.027 76 HD2 PHE 12 HD2 PHE 12 12.067 1.328 -2.691 77 HE1 PHE 12 HE1 PHE 12 12.287 -3.560 -1.911 78 HE2 PHE 12 HE2 PHE 12 10.196 0.169 -1.572 79 HZ PHE 12 HZ PHE 12 10.303 -2.274 -1.182 80 H ALA 13 HN ALA 13 16.947 1.269 -1.864 81 HA ALA 13 HA ALA 13 18.344 2.727 -3.938 82 HB1 ALA 13 HB1 ALA 13 18.827 4.141 -2.242 83 HB2 ALA 13 HB2 ALA 13 19.723 2.884 -1.390 84 HB3 ALA 13 HB3 ALA 13 17.982 3.041 -1.153 85 H ARG 14 HN ARG 14 19.598 0.421 -1.466 86 HA ARG 14 HA ARG 14 22.221 0.188 -2.315 87 HB2 ARG 14 HB2 ARG 14 20.439 -2.153 -1.573 88 HB3 ARG 14 HB1 ARG 14 22.194 -2.079 -1.416 89 HG2 ARG 14 HG2 ARG 14 20.327 -0.154 -0.006 90 HG3 ARG 14 HG1 ARG 14 20.904 -1.650 0.729 91 HD2 ARG 14 HD2 ARG 14 23.259 -0.871 0.298 92 HD3 ARG 14 HD1 ARG 14 22.596 0.677 -0.224 93 HE ARG 14 HE ARG 14 23.018 -0.037 2.478 94 HH11 ARG 14 HH11 ARG 14 21.065 0.077 3.936 95 HH12 ARG 14 HH12 ARG 14 20.032 1.435 3.644 96 HH21 ARG 14 HH21 ARG 14 21.461 2.197 0.577 97 HH22 ARG 14 HH22 ARG 14 20.260 2.639 1.745 98 H CGU 15 HN GLA 15 19.356 -1.213 -3.887 99 HA CGU 15 HA GLA 15 21.071 -2.588 -5.873 100 HB2 CGU 15 HB1 GLA 15 19.185 -3.737 -6.543 101 HB3 CGU 15 HB2 GLA 15 18.110 -2.369 -6.268 102 HG CGU 15 HG GLA 15 18.147 -2.734 -3.885 103 H LEU 16 HN LEU 16 18.427 -0.157 -6.046 104 HA LEU 16 HA LEU 16 18.693 0.584 -8.716 105 HB2 LEU 16 HB2 LEU 16 17.887 2.035 -6.238 106 HB3 LEU 16 HB1 LEU 16 18.223 3.012 -7.667 107 HG LEU 16 HG LEU 16 15.836 2.371 -7.550 108 HD11 LEU 16 HD11 LEU 16 17.522 2.227 -9.733 109 HD12 LEU 16 HD12 LEU 16 15.760 2.198 -9.805 110 HD13 LEU 16 HD13 LEU 16 16.668 0.686 -9.804 111 HD21 LEU 16 HD21 LEU 16 15.334 -0.090 -8.006 112 HD22 LEU 16 HD22 LEU 16 15.921 0.277 -6.386 113 HD23 LEU 16 HD23 LEU 16 17.014 -0.419 -7.582 114 H ALA 17 HN ALA 17 20.847 1.335 -6.044 115 HA ALA 17 HA ALA 17 22.350 3.362 -7.489 116 HB1 ALA 17 HB1 ALA 17 24.053 2.932 -5.643 117 HB2 ALA 17 HB2 ALA 17 22.926 1.738 -4.999 118 HB3 ALA 17 HB3 ALA 17 22.454 3.435 -5.094 119 H ASN 18 HN ASN 18 22.606 -0.127 -7.027 120 HA ASN 18 HA ASN 18 25.223 -0.307 -8.336 121 HB2 ASN 18 HB2 ASN 18 23.364 -2.667 -8.162 122 HB3 ASN 18 HB1 ASN 18 25.110 -2.593 -7.931 123 HD21 ASN 18 HD21 ASN 18 24.507 -0.033 -6.204 124 HD22 ASN 18 HD22 ASN 18 24.088 -0.709 -4.676 125 H TYR 19 HN TYR 19 22.417 0.658 -9.587 126 HA TYR 19 HA TYR 19 22.402 -1.028 -12.000 127 HB2 TYR 19 HB2 TYR 19 20.230 -0.380 -11.360 128 HB3 TYR 19 HB1 TYR 19 20.737 1.265 -10.976 129 HD1 TYR 19 HD1 TYR 19 20.834 -1.073 -13.909 130 HD2 TYR 19 HD2 TYR 19 20.135 2.915 -12.483 131 HE1 TYR 19 HE1 TYR 19 20.251 -0.355 -16.214 132 HE2 TYR 19 HE2 TYR 19 19.550 3.637 -14.786 133 HH TYR 19 HH TYR 19 20.021 2.894 -17.120 134 HN1 NH2 20 H1 NH2 20 24.243 1.581 -10.932 135 HN2 NH2 20 H2 NH2 20 24.654 2.258 -12.463 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 2.900 1.142 6.375 2 H2 GLY 1 HT2 GLY 1 3.065 2.417 7.487 3 H3 GLY 1 HT3 GLY 1 2.596 0.873 8.022 4 HA2 GLY 1 HA1 GLY 1 4.691 0.288 8.329 5 HA3 GLY 1 HA2 GLY 1 5.021 0.626 6.630 6 H GLU 2 HN GLU 2 5.874 1.499 9.716 7 HA GLU 2 HA GLU 2 6.552 4.298 8.931 8 HB2 GLU 2 HB2 GLU 2 6.650 2.997 11.671 9 HB3 GLU 2 HB1 GLU 2 6.891 4.708 11.318 10 HG2 GLU 2 HG2 GLU 2 4.579 4.804 10.388 11 HG3 GLU 2 HG1 GLU 2 4.346 3.123 10.866 12 H CGU 3 HN GLA 3 8.073 1.775 10.966 13 HA CGU 3 HA GLA 3 10.739 2.703 10.114 14 HB2 CGU 3 HB1 GLA 3 9.906 0.395 11.909 15 HB3 CGU 3 HB2 GLA 3 10.353 2.008 12.455 16 HG CGU 3 HG GLA 3 12.183 0.210 10.837 17 H CGU 4 HN GLA 4 8.465 0.201 9.335 18 HA CGU 4 HA GLA 4 10.430 -1.504 7.981 19 HB2 CGU 4 HB1 GLA 4 8.583 -2.902 7.416 20 HB3 CGU 4 HB2 GLA 4 7.426 -1.582 7.607 21 HG CGU 4 HG GLA 4 9.122 -2.607 9.887 22 H LEU 5 HN LEU 5 8.431 1.195 7.268 23 HA LEU 5 HA LEU 5 8.410 0.867 4.383 24 HB2 LEU 5 HB2 LEU 5 6.639 2.228 5.151 25 HB3 LEU 5 HB1 LEU 5 7.664 3.036 6.333 26 HG LEU 5 HG LEU 5 8.829 4.235 4.548 27 HD11 LEU 5 HD11 LEU 5 7.223 3.881 2.294 28 HD12 LEU 5 HD12 LEU 5 7.463 2.244 2.903 29 HD13 LEU 5 HD13 LEU 5 8.856 3.251 2.509 30 HD21 LEU 5 HD21 LEU 5 7.162 5.811 4.243 31 HD22 LEU 5 HD22 LEU 5 6.430 4.848 5.526 32 HD23 LEU 5 HD23 LEU 5 5.944 4.598 3.850 33 H ALA 6 HN ALA 6 10.428 2.560 6.739 34 HA ALA 6 HA ALA 6 11.997 3.965 4.733 35 HB1 ALA 6 HB1 ALA 6 12.948 5.003 6.504 36 HB2 ALA 6 HB2 ALA 6 13.412 3.472 7.247 37 HB3 ALA 6 HB3 ALA 6 11.793 4.123 7.506 38 H CGU 7 HN GLA 7 12.272 0.834 6.359 39 HA CGU 7 HA GLA 7 14.975 0.338 5.444 40 HB2 CGU 7 HB1 GLA 7 14.531 -2.007 6.091 41 HB3 CGU 7 HB2 GLA 7 12.829 -1.619 6.310 42 HG CGU 7 HG GLA 7 13.455 0.055 8.032 43 H LYS 8 HN LYS 8 11.794 -0.072 3.999 44 HA LYS 8 HA LYS 8 12.729 -1.883 1.920 45 HB2 LYS 8 HB2 LYS 8 10.220 -0.296 2.371 46 HB3 LYS 8 HB1 LYS 8 10.525 -1.020 0.795 47 HG2 LYS 8 HG2 LYS 8 10.909 -3.219 1.968 48 HG3 LYS 8 HG1 LYS 8 10.360 -2.451 3.459 49 HD2 LYS 8 HD2 LYS 8 8.204 -1.902 2.385 50 HD3 LYS 8 HD1 LYS 8 8.749 -2.680 0.898 51 HE2 LYS 8 HE2 LYS 8 7.336 -4.204 2.242 52 HE3 LYS 8 HE1 LYS 8 8.981 -4.822 2.089 53 HZ1 LYS 8 HZ1 LYS 8 8.587 -3.078 4.345 54 HZ2 LYS 8 HZ2 LYS 8 9.348 -4.594 4.262 55 HZ3 LYS 8 HZ3 LYS 8 7.658 -4.497 4.415 56 H ALA 9 HN ALA 9 12.483 1.616 2.294 57 HA ALA 9 HA ALA 9 13.069 2.129 -0.532 58 HB1 ALA 9 HB1 ALA 9 13.479 4.505 0.410 59 HB2 ALA 9 HB2 ALA 9 12.889 3.858 1.939 60 HB3 ALA 9 HB3 ALA 9 11.840 3.862 0.522 61 H ALA 10 HN ALA 10 14.869 1.925 2.501 62 HA ALA 10 HA ALA 10 17.343 2.994 1.524 63 HB1 ALA 10 HB1 ALA 10 16.400 1.592 3.899 64 HB2 ALA 10 HB2 ALA 10 17.718 2.753 3.740 65 HB3 ALA 10 HB3 ALA 10 18.008 1.043 3.420 66 H CGU 11 HN GLA 11 15.821 -0.157 1.269 67 HA CGU 11 HA GLA 11 18.233 -1.500 0.323 68 HB2 CGU 11 HB1 GLA 11 15.296 -2.259 0.201 69 HB3 CGU 11 HB2 GLA 11 16.534 -2.944 1.261 70 HG CGU 11 HG GLA 11 17.608 -3.318 -1.266 71 H PHE 12 HN PHE 12 15.309 -0.167 -1.266 72 HA PHE 12 HA PHE 12 15.997 -0.791 -3.948 73 HB2 PHE 12 HB2 PHE 12 14.925 1.964 -3.163 74 HB3 PHE 12 HB1 PHE 12 14.621 1.047 -4.665 75 HD1 PHE 12 HD1 PHE 12 12.359 2.128 -3.013 76 HD2 PHE 12 HD2 PHE 12 14.411 -1.649 -2.732 77 HE1 PHE 12 HE1 PHE 12 10.349 1.099 -2.016 78 HE2 PHE 12 HE2 PHE 12 12.395 -2.658 -1.736 79 HZ PHE 12 HZ PHE 12 10.363 -1.293 -1.377 80 H ALA 13 HN ALA 13 17.418 1.478 -1.717 81 HA ALA 13 HA ALA 13 18.927 3.008 -3.655 82 HB1 ALA 13 HB1 ALA 13 18.532 3.513 -1.115 83 HB2 ALA 13 HB2 ALA 13 20.075 3.961 -1.841 84 HB3 ALA 13 HB3 ALA 13 19.952 2.496 -0.867 85 H ARG 14 HN ARG 14 20.005 0.332 -1.482 86 HA ARG 14 HA ARG 14 22.579 -0.025 -2.440 87 HB2 ARG 14 HB2 ARG 14 20.596 -2.250 -1.860 88 HB3 ARG 14 HB1 ARG 14 22.353 -2.398 -1.845 89 HG2 ARG 14 HG2 ARG 14 20.695 -0.633 -0.019 90 HG3 ARG 14 HG1 ARG 14 21.521 -2.121 0.443 91 HD2 ARG 14 HD2 ARG 14 23.111 -0.564 1.090 92 HD3 ARG 14 HD1 ARG 14 23.630 -0.866 -0.569 93 HE ARG 14 HE ARG 14 21.745 1.254 -0.633 94 HH11 ARG 14 HH11 ARG 14 24.084 1.128 1.698 95 HH12 ARG 14 HH12 ARG 14 25.010 2.476 1.127 96 HH21 ARG 14 HH21 ARG 14 23.283 2.733 -1.868 97 HH22 ARG 14 HH22 ARG 14 24.556 3.385 -0.891 98 H CGU 15 HN GLA 15 19.574 -1.234 -3.940 99 HA CGU 15 HA GLA 15 21.034 -2.449 -6.175 100 HB2 CGU 15 HB1 GLA 15 18.975 -3.178 -6.976 101 HB3 CGU 15 HB2 GLA 15 18.107 -1.770 -6.368 102 HG CGU 15 HG GLA 15 18.216 -2.599 -4.105 103 H LEU 16 HN LEU 16 19.492 0.632 -5.509 104 HA LEU 16 HA LEU 16 19.247 1.635 -8.141 105 HB2 LEU 16 HB2 LEU 16 18.566 2.681 -5.842 106 HB3 LEU 16 HB1 LEU 16 20.181 3.388 -5.883 107 HG LEU 16 HG LEU 16 18.250 3.620 -8.199 108 HD11 LEU 16 HD11 LEU 16 18.474 5.204 -5.669 109 HD12 LEU 16 HD12 LEU 16 17.042 4.808 -6.619 110 HD13 LEU 16 HD13 LEU 16 18.145 6.069 -7.170 111 HD21 LEU 16 HD21 LEU 16 19.856 5.797 -8.277 112 HD22 LEU 16 HD22 LEU 16 20.269 4.280 -9.074 113 HD23 LEU 16 HD23 LEU 16 20.948 4.658 -7.491 114 H ALA 17 HN ALA 17 22.082 1.425 -6.026 115 HA ALA 17 HA ALA 17 23.779 2.972 -7.819 116 HB1 ALA 17 HB1 ALA 17 24.602 1.053 -5.622 117 HB2 ALA 17 HB2 ALA 17 24.193 2.747 -5.355 118 HB3 ALA 17 HB3 ALA 17 25.594 2.322 -6.340 119 H ASN 18 HN ASN 18 22.937 -0.415 -7.447 120 HA ASN 18 HA ASN 18 25.141 -1.410 -9.083 121 HB2 ASN 18 HB2 ASN 18 22.562 -2.928 -8.871 122 HB3 ASN 18 HB1 ASN 18 24.222 -3.515 -8.789 123 HD21 ASN 18 HD21 ASN 18 24.551 -0.978 -6.848 124 HD22 ASN 18 HD22 ASN 18 24.058 -1.644 -5.339 125 H TYR 19 HN TYR 19 22.081 0.061 -9.762 126 HA TYR 19 HA TYR 19 21.935 -1.016 -12.490 127 HB2 TYR 19 HB2 TYR 19 19.800 -0.618 -11.625 128 HB3 TYR 19 HB1 TYR 19 20.294 0.878 -10.834 129 HD1 TYR 19 HD1 TYR 19 21.009 2.844 -12.346 130 HD2 TYR 19 HD2 TYR 19 18.802 -0.561 -13.746 131 HE1 TYR 19 HE1 TYR 19 20.265 4.143 -14.327 132 HE2 TYR 19 HE2 TYR 19 18.056 0.734 -15.728 133 HH TYR 19 HH TYR 19 19.205 2.943 -17.014 134 HN1 NH2 20 H1 NH2 20 22.929 2.023 -10.894 135 HN2 NH2 20 H2 NH2 20 23.570 2.750 -12.319 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 3.058 1.974 13.445 2 H2 GLY 1 HT2 GLY 1 2.721 1.507 11.847 3 H3 GLY 1 HT3 GLY 1 3.294 3.073 12.174 4 HA2 GLY 1 HA1 GLY 1 5.332 1.889 13.157 5 HA3 GLY 1 HA2 GLY 1 4.755 0.513 12.217 6 H GLU 2 HN GLU 2 6.817 3.071 12.066 7 HA GLU 2 HA GLU 2 6.580 3.214 9.086 8 HB2 GLU 2 HB2 GLU 2 7.495 5.400 10.982 9 HB3 GLU 2 HB1 GLU 2 7.463 5.516 9.223 10 HG2 GLU 2 HG2 GLU 2 5.068 5.101 11.036 11 HG3 GLU 2 HG1 GLU 2 5.457 6.569 10.138 12 H CGU 3 HN GLA 3 8.137 1.315 10.632 13 HA CGU 3 HA GLA 3 10.919 2.290 10.155 14 HB2 CGU 3 HB1 GLA 3 9.943 -0.105 11.746 15 HB3 CGU 3 HB2 GLA 3 10.435 1.441 12.430 16 HG CGU 3 HG GLA 3 12.203 -0.368 10.754 17 H CGU 4 HN GLA 4 8.528 -0.021 9.145 18 HA CGU 4 HA GLA 4 10.460 -1.684 7.679 19 HB2 CGU 4 HB1 GLA 4 8.575 -2.992 7.003 20 HB3 CGU 4 HB2 GLA 4 7.448 -1.677 7.339 21 HG CGU 4 HG GLA 4 9.181 -2.865 9.499 22 H LEU 5 HN LEU 5 8.471 1.085 7.136 23 HA LEU 5 HA LEU 5 8.518 0.952 4.230 24 HB2 LEU 5 HB2 LEU 5 7.907 3.215 6.158 25 HB3 LEU 5 HB1 LEU 5 7.786 3.357 4.410 26 HG LEU 5 HG LEU 5 6.156 1.519 4.349 27 HD11 LEU 5 HD11 LEU 5 6.812 1.441 7.283 28 HD12 LEU 5 HD12 LEU 5 6.676 0.105 6.139 29 HD13 LEU 5 HD13 LEU 5 5.223 0.915 6.726 30 HD21 LEU 5 HD21 LEU 5 4.743 3.279 4.539 31 HD22 LEU 5 HD22 LEU 5 5.771 4.060 5.741 32 HD23 LEU 5 HD23 LEU 5 4.595 2.845 6.243 33 H ALA 6 HN ALA 6 10.684 2.031 6.698 34 HA ALA 6 HA ALA 6 12.233 3.740 4.858 35 HB1 ALA 6 HB1 ALA 6 11.942 3.941 7.508 36 HB2 ALA 6 HB2 ALA 6 13.428 4.453 6.706 37 HB3 ALA 6 HB3 ALA 6 13.351 2.878 7.496 38 H CGU 7 HN GLA 7 12.480 0.523 6.329 39 HA CGU 7 HA GLA 7 15.149 -0.006 5.387 40 HB2 CGU 7 HB1 GLA 7 14.582 -2.386 5.827 41 HB3 CGU 7 HB2 GLA 7 12.903 -1.930 6.069 42 HG CGU 7 HG GLA 7 13.588 -0.438 7.926 43 H LYS 8 HN LYS 8 11.982 -0.194 3.887 44 HA LYS 8 HA LYS 8 12.962 -1.772 1.617 45 HB2 LYS 8 HB2 LYS 8 10.357 -0.546 2.419 46 HB3 LYS 8 HB1 LYS 8 10.617 -0.890 0.709 47 HG2 LYS 8 HG2 LYS 8 11.102 -3.222 1.204 48 HG3 LYS 8 HG1 LYS 8 11.003 -2.908 2.936 49 HD2 LYS 8 HD2 LYS 8 8.641 -2.312 2.730 50 HD3 LYS 8 HD1 LYS 8 8.720 -2.525 0.980 51 HE2 LYS 8 HE2 LYS 8 9.205 -4.689 3.047 52 HE3 LYS 8 HE1 LYS 8 7.762 -4.524 2.047 53 HZ1 LYS 8 HZ1 LYS 8 8.835 -5.804 0.598 54 HZ2 LYS 8 HZ2 LYS 8 10.331 -5.607 1.380 55 HZ3 LYS 8 HZ3 LYS 8 9.799 -4.451 0.253 56 H ALA 9 HN ALA 9 12.341 1.652 2.325 57 HA ALA 9 HA ALA 9 12.717 2.518 -0.416 58 HB1 ALA 9 HB1 ALA 9 13.317 4.722 1.091 59 HB2 ALA 9 HB2 ALA 9 12.345 3.788 2.229 60 HB3 ALA 9 HB3 ALA 9 11.676 4.238 0.660 61 H ALA 10 HN ALA 10 14.796 2.707 2.497 62 HA ALA 10 HA ALA 10 17.103 3.693 1.166 63 HB1 ALA 10 HB1 ALA 10 16.461 2.977 3.770 64 HB2 ALA 10 HB2 ALA 10 18.040 3.539 3.221 65 HB3 ALA 10 HB3 ALA 10 17.706 1.810 3.326 66 H CGU 11 HN GLA 11 15.783 0.442 1.416 67 HA CGU 11 HA GLA 11 18.179 -0.899 0.484 68 HB2 CGU 11 HB1 GLA 11 15.272 -1.688 0.695 69 HB3 CGU 11 HB2 GLA 11 16.656 -2.373 1.552 70 HG CGU 11 HG GLA 11 17.477 -3.068 -0.829 71 H PHE 12 HN PHE 12 15.118 -0.034 -1.181 72 HA PHE 12 HA PHE 12 15.830 -0.902 -3.779 73 HB2 PHE 12 HB2 PHE 12 13.633 0.217 -3.518 74 HB3 PHE 12 HB1 PHE 12 14.442 1.780 -3.153 75 HD1 PHE 12 HD1 PHE 12 14.627 -0.931 -5.814 76 HD2 PHE 12 HD2 PHE 12 14.608 3.290 -4.961 77 HE1 PHE 12 HE1 PHE 12 14.769 -0.434 -8.224 78 HE2 PHE 12 HE2 PHE 12 14.750 3.769 -7.376 79 HZ PHE 12 HZ PHE 12 14.831 1.912 -9.010 80 H ALA 13 HN ALA 13 17.105 1.795 -1.943 81 HA ALA 13 HA ALA 13 18.571 3.062 -4.070 82 HB1 ALA 13 HB1 ALA 13 19.639 4.317 -2.434 83 HB2 ALA 13 HB2 ALA 13 19.754 2.957 -1.317 84 HB3 ALA 13 HB3 ALA 13 18.215 3.791 -1.534 85 H ARG 14 HN ARG 14 19.709 0.672 -1.624 86 HA ARG 14 HA ARG 14 22.293 0.251 -2.525 87 HB2 ARG 14 HB2 ARG 14 20.400 -2.008 -1.812 88 HB3 ARG 14 HB1 ARG 14 22.151 -1.973 -1.599 89 HG2 ARG 14 HG2 ARG 14 20.196 -0.122 -0.202 90 HG3 ARG 14 HG1 ARG 14 20.940 -1.543 0.532 91 HD2 ARG 14 HD2 ARG 14 22.337 0.958 -0.455 92 HD3 ARG 14 HD1 ARG 14 22.248 0.363 1.202 93 HE ARG 14 HE ARG 14 23.460 -1.670 -0.354 94 HH11 ARG 14 HH11 ARG 14 25.367 -1.705 1.288 95 HH12 ARG 14 HH12 ARG 14 26.490 -0.413 1.023 96 HH21 ARG 14 HH21 ARG 14 24.329 1.415 -0.973 97 HH22 ARG 14 HH22 ARG 14 25.904 1.350 -0.255 98 H CGU 15 HN GLA 15 19.322 -1.210 -3.874 99 HA CGU 15 HA GLA 15 20.758 -2.657 -5.953 100 HB2 CGU 15 HB1 GLA 15 18.685 -3.357 -6.714 101 HB3 CGU 15 HB2 GLA 15 17.909 -1.813 -6.374 102 HG CGU 15 HG GLA 15 17.726 -2.300 -4.057 103 H LEU 16 HN LEU 16 18.886 0.396 -5.940 104 HA LEU 16 HA LEU 16 19.211 1.090 -8.643 105 HB2 LEU 16 HB2 LEU 16 17.879 2.349 -6.879 106 HB3 LEU 16 HB1 LEU 16 19.404 3.067 -6.359 107 HG LEU 16 HG LEU 16 18.825 3.162 -9.275 108 HD11 LEU 16 HD11 LEU 16 17.557 5.409 -8.625 109 HD12 LEU 16 HD12 LEU 16 17.155 4.489 -7.175 110 HD13 LEU 16 HD13 LEU 16 16.685 3.883 -8.764 111 HD21 LEU 16 HD21 LEU 16 19.617 5.512 -7.614 112 HD22 LEU 16 HD22 LEU 16 20.219 4.996 -9.190 113 HD23 LEU 16 HD23 LEU 16 20.771 4.184 -7.725 114 H ALA 17 HN ALA 17 21.563 1.032 -6.075 115 HA ALA 17 HA ALA 17 23.494 2.727 -7.462 116 HB1 ALA 17 HB1 ALA 17 23.770 0.836 -5.108 117 HB2 ALA 17 HB2 ALA 17 23.606 2.590 -5.040 118 HB3 ALA 17 HB3 ALA 17 25.071 1.866 -5.704 119 H ASN 18 HN ASN 18 22.822 -0.727 -7.197 120 HA ASN 18 HA ASN 18 25.273 -1.621 -8.460 121 HB2 ASN 18 HB2 ASN 18 22.708 -3.154 -8.803 122 HB3 ASN 18 HB1 ASN 18 24.332 -3.747 -8.460 123 HD21 ASN 18 HD21 ASN 18 24.374 -1.359 -6.361 124 HD22 ASN 18 HD22 ASN 18 23.596 -2.072 -5.000 125 H TYR 19 HN TYR 19 22.613 0.096 -9.680 126 HA TYR 19 HA TYR 19 23.064 -0.914 -12.440 127 HB2 TYR 19 HB2 TYR 19 20.754 -0.855 -12.053 128 HB3 TYR 19 HB1 TYR 19 20.856 0.619 -11.092 129 HD1 TYR 19 HD1 TYR 19 21.603 2.776 -12.292 130 HD2 TYR 19 HD2 TYR 19 20.260 -0.750 -14.338 131 HE1 TYR 19 HE1 TYR 19 21.139 4.132 -14.321 132 HE2 TYR 19 HE2 TYR 19 19.796 0.600 -16.369 133 HH TYR 19 HH TYR 19 19.258 3.474 -16.581 134 HN1 NH2 20 H1 NH2 20 23.987 1.647 -10.359 135 HN2 NH2 20 H2 NH2 20 24.518 2.749 -11.573 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 6.722 6.573 10.150 2 H2 GLY 1 HT2 GLY 1 5.854 7.987 10.515 3 H3 GLY 1 HT3 GLY 1 5.817 7.346 8.942 4 HA2 GLY 1 HA1 GLY 1 4.110 6.785 11.098 5 HA3 GLY 1 HA2 GLY 1 4.038 6.160 9.450 6 H GLU 2 HN GLU 2 6.277 4.643 9.218 7 HA GLU 2 HA GLU 2 6.294 2.799 11.558 8 HB2 GLU 2 HB2 GLU 2 5.948 1.890 8.686 9 HB3 GLU 2 HB1 GLU 2 5.987 0.861 10.118 10 HG2 GLU 2 HG2 GLU 2 3.952 1.948 10.974 11 HG3 GLU 2 HG1 GLU 2 3.917 3.009 9.563 12 H CGU 3 HN GLA 3 8.037 0.960 10.928 13 HA CGU 3 HA GLA 3 10.444 2.465 9.987 14 HB2 CGU 3 HB1 GLA 3 10.265 0.002 11.760 15 HB3 CGU 3 HB2 GLA 3 10.540 1.646 12.325 16 HG CGU 3 HG GLA 3 12.338 0.149 10.393 17 H CGU 4 HN GLA 4 8.467 -0.361 9.468 18 HA CGU 4 HA GLA 4 10.272 -1.906 7.911 19 HB2 CGU 4 HB1 GLA 4 7.719 -2.303 6.810 20 HB3 CGU 4 HB2 GLA 4 7.420 -1.876 8.498 21 HG CGU 4 HG GLA 4 9.469 -3.895 7.658 22 H LEU 5 HN LEU 5 7.972 0.605 6.998 23 HA LEU 5 HA LEU 5 8.383 0.485 4.185 24 HB2 LEU 5 HB2 LEU 5 6.543 1.835 4.645 25 HB3 LEU 5 HB1 LEU 5 7.261 2.449 6.131 26 HG LEU 5 HG LEU 5 8.719 3.941 4.865 27 HD11 LEU 5 HD11 LEU 5 8.292 2.127 2.773 28 HD12 LEU 5 HD12 LEU 5 9.179 3.646 2.673 29 HD13 LEU 5 HD13 LEU 5 7.467 3.597 2.258 30 HD21 LEU 5 HD21 LEU 5 5.809 4.014 4.019 31 HD22 LEU 5 HD22 LEU 5 6.936 5.351 3.782 32 HD23 LEU 5 HD23 LEU 5 6.529 4.819 5.414 33 H ALA 6 HN ALA 6 10.112 2.269 6.724 34 HA ALA 6 HA ALA 6 11.770 3.771 4.897 35 HB1 ALA 6 HB1 ALA 6 12.442 4.763 6.804 36 HB2 ALA 6 HB2 ALA 6 13.198 3.265 7.342 37 HB3 ALA 6 HB3 ALA 6 11.507 3.586 7.727 38 H CGU 7 HN GLA 7 11.974 0.523 6.197 39 HA CGU 7 HA GLA 7 14.764 0.145 5.459 40 HB2 CGU 7 HB1 GLA 7 14.303 -2.255 5.896 41 HB3 CGU 7 HB2 GLA 7 12.590 -1.881 6.064 42 HG CGU 7 HG GLA 7 13.142 -0.327 7.929 43 H LYS 8 HN LYS 8 11.697 -0.164 3.800 44 HA LYS 8 HA LYS 8 12.800 -1.807 1.650 45 HB2 LYS 8 HB2 LYS 8 10.197 -0.294 1.938 46 HB3 LYS 8 HB1 LYS 8 10.607 -1.262 0.523 47 HG2 LYS 8 HG2 LYS 8 10.861 -3.256 1.924 48 HG3 LYS 8 HG1 LYS 8 10.520 -2.304 3.370 49 HD2 LYS 8 HD2 LYS 8 8.279 -1.766 2.492 50 HD3 LYS 8 HD1 LYS 8 8.616 -2.720 1.046 51 HE2 LYS 8 HE2 LYS 8 8.518 -3.761 3.893 52 HE3 LYS 8 HE1 LYS 8 7.328 -4.068 2.629 53 HZ1 LYS 8 HZ1 LYS 8 10.094 -5.059 2.847 54 HZ2 LYS 8 HZ2 LYS 8 9.343 -4.954 1.327 55 HZ3 LYS 8 HZ3 LYS 8 8.670 -5.928 2.546 56 H ALA 9 HN ALA 9 12.458 1.624 2.293 57 HA ALA 9 HA ALA 9 12.928 2.401 -0.487 58 HB1 ALA 9 HB1 ALA 9 11.701 3.983 0.805 59 HB2 ALA 9 HB2 ALA 9 13.305 4.692 0.613 60 HB3 ALA 9 HB3 ALA 9 12.861 3.912 2.131 61 H ALA 10 HN ALA 10 14.848 2.367 2.521 62 HA ALA 10 HA ALA 10 17.259 3.387 1.421 63 HB1 ALA 10 HB1 ALA 10 16.668 1.536 3.730 64 HB2 ALA 10 HB2 ALA 10 17.178 3.223 3.779 65 HB3 ALA 10 HB3 ALA 10 18.325 1.970 3.308 66 H CGU 11 HN GLA 11 16.032 0.047 1.600 67 HA CGU 11 HA GLA 11 18.383 -1.185 0.504 68 HB2 CGU 11 HB1 GLA 11 15.481 -1.996 0.693 69 HB3 CGU 11 HB2 GLA 11 16.882 -2.747 1.466 70 HG CGU 11 HG GLA 11 17.647 -3.272 -0.970 71 H PHE 12 HN PHE 12 15.333 -0.179 -1.081 72 HA PHE 12 HA PHE 12 15.997 -0.879 -3.741 73 HB2 PHE 12 HB2 PHE 12 13.821 0.245 -3.374 74 HB3 PHE 12 HB1 PHE 12 14.653 1.767 -2.905 75 HD1 PHE 12 HD1 PHE 12 16.283 2.811 -4.703 76 HD2 PHE 12 HD2 PHE 12 13.293 -0.138 -5.659 77 HE1 PHE 12 HE1 PHE 12 16.382 3.464 -7.079 78 HE2 PHE 12 HE2 PHE 12 13.404 0.529 -8.029 79 HZ PHE 12 HZ PHE 12 14.945 2.329 -8.744 80 H ALA 13 HN ALA 13 17.351 1.680 -1.756 81 HA ALA 13 HA ALA 13 18.771 3.055 -3.852 82 HB1 ALA 13 HB1 ALA 13 19.386 4.390 -2.143 83 HB2 ALA 13 HB2 ALA 13 20.321 3.081 -1.422 84 HB3 ALA 13 HB3 ALA 13 18.615 3.270 -1.020 85 H ARG 14 HN ARG 14 20.005 0.602 -1.514 86 HA ARG 14 HA ARG 14 22.556 0.244 -2.541 87 HB2 ARG 14 HB2 ARG 14 20.585 -1.754 -1.427 88 HB3 ARG 14 HB1 ARG 14 22.197 -2.254 -1.938 89 HG2 ARG 14 HG2 ARG 14 22.198 -1.730 0.461 90 HG3 ARG 14 HG1 ARG 14 23.190 -0.566 -0.418 91 HD2 ARG 14 HD2 ARG 14 21.421 1.082 -0.365 92 HD3 ARG 14 HD1 ARG 14 20.290 -0.088 0.312 93 HE ARG 14 HE ARG 14 22.483 0.061 2.090 94 HH11 ARG 14 HH11 ARG 14 21.661 2.903 0.826 95 HH12 ARG 14 HH12 ARG 14 20.822 3.550 2.197 96 HH21 ARG 14 HH21 ARG 14 20.682 0.516 3.872 97 HH22 ARG 14 HH22 ARG 14 20.270 2.197 3.923 98 H CGU 15 HN GLA 15 19.530 -1.081 -3.874 99 HA CGU 15 HA GLA 15 20.943 -2.549 -5.981 100 HB2 CGU 15 HB1 GLA 15 18.871 -3.330 -6.653 101 HB3 CGU 15 HB2 GLA 15 18.051 -1.817 -6.283 102 HG CGU 15 HG GLA 15 18.032 -2.298 -3.941 103 H LEU 16 HN LEU 16 19.710 0.677 -5.572 104 HA LEU 16 HA LEU 16 19.421 1.386 -8.332 105 HB2 LEU 16 HB2 LEU 16 18.592 2.753 -6.399 106 HB3 LEU 16 HB1 LEU 16 20.263 3.187 -6.042 107 HG LEU 16 HG LEU 16 18.967 3.673 -8.735 108 HD11 LEU 16 HD11 LEU 16 19.427 6.108 -7.353 109 HD12 LEU 16 HD12 LEU 16 18.563 5.051 -6.236 110 HD13 LEU 16 HD13 LEU 16 17.874 5.414 -7.819 111 HD21 LEU 16 HD21 LEU 16 20.964 5.487 -8.459 112 HD22 LEU 16 HD22 LEU 16 21.206 3.895 -9.177 113 HD23 LEU 16 HD23 LEU 16 21.617 4.170 -7.484 114 H ALA 17 HN ALA 17 22.159 1.941 -6.090 115 HA ALA 17 HA ALA 17 23.959 3.013 -7.990 116 HB1 ALA 17 HB1 ALA 17 24.095 2.498 -5.332 117 HB2 ALA 17 HB2 ALA 17 25.512 2.863 -6.316 118 HB3 ALA 17 HB3 ALA 17 25.102 1.188 -5.947 119 H ASN 18 HN ASN 18 22.934 -0.275 -7.438 120 HA ASN 18 HA ASN 18 25.110 -1.390 -9.101 121 HB2 ASN 18 HB2 ASN 18 22.744 -3.053 -8.358 122 HB3 ASN 18 HB1 ASN 18 24.460 -3.457 -8.336 123 HD21 ASN 18 HD21 ASN 18 24.780 -0.681 -6.845 124 HD22 ASN 18 HD22 ASN 18 24.417 -1.102 -5.215 125 H TYR 19 HN TYR 19 22.771 0.466 -10.049 126 HA TYR 19 HA TYR 19 21.393 -1.227 -11.997 127 HB2 TYR 19 HB2 TYR 19 20.064 0.572 -11.304 128 HB3 TYR 19 HB1 TYR 19 21.419 1.702 -11.320 129 HD1 TYR 19 HD1 TYR 19 19.586 -0.566 -13.683 130 HD2 TYR 19 HD2 TYR 19 21.548 3.205 -13.079 131 HE1 TYR 19 HE1 TYR 19 18.989 0.115 -15.996 132 HE2 TYR 19 HE2 TYR 19 20.953 3.887 -15.390 133 HH TYR 19 HH TYR 19 20.397 2.393 -17.661 134 HN1 NH2 20 H1 NH2 20 23.976 1.272 -12.080 135 HN2 NH2 20 H2 NH2 20 24.523 0.870 -13.662 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 4.065 3.617 12.355 2 H2 GLY 1 HT2 GLY 1 4.285 2.297 13.402 3 H3 GLY 1 HT3 GLY 1 2.845 2.450 12.513 4 HA2 GLY 1 HA1 GLY 1 5.197 1.124 11.785 5 HA3 GLY 1 HA2 GLY 1 3.703 1.282 10.862 6 H GLU 2 HN GLU 2 6.801 2.868 11.554 7 HA GLU 2 HA GLU 2 6.681 4.059 8.830 8 HB2 GLU 2 HB2 GLU 2 5.986 5.714 10.689 9 HB3 GLU 2 HB1 GLU 2 7.675 5.658 11.192 10 HG2 GLU 2 HG2 GLU 2 7.496 7.514 9.695 11 HG3 GLU 2 HG1 GLU 2 8.275 6.226 8.777 12 H CGU 3 HN GLA 3 8.240 2.007 10.741 13 HA CGU 3 HA GLA 3 10.978 2.932 9.983 14 HB2 CGU 3 HB1 GLA 3 10.122 0.791 11.957 15 HB3 CGU 3 HB2 GLA 3 10.633 2.423 12.378 16 HG CGU 3 HG GLA 3 12.324 0.378 10.906 17 H CGU 4 HN GLA 4 8.580 0.489 9.427 18 HA CGU 4 HA GLA 4 10.466 -1.371 8.149 19 HB2 CGU 4 HB1 GLA 4 8.595 -2.784 7.781 20 HB3 CGU 4 HB2 GLA 4 7.452 -1.444 7.876 21 HG CGU 4 HG GLA 4 9.200 -2.271 10.196 22 H LEU 5 HN LEU 5 8.394 1.263 7.267 23 HA LEU 5 HA LEU 5 8.368 0.717 4.417 24 HB2 LEU 5 HB2 LEU 5 7.857 3.269 5.984 25 HB3 LEU 5 HB1 LEU 5 7.597 3.091 4.255 26 HG LEU 5 HG LEU 5 6.028 1.203 4.721 27 HD11 LEU 5 HD11 LEU 5 6.822 1.925 7.522 28 HD12 LEU 5 HD12 LEU 5 6.592 0.332 6.804 29 HD13 LEU 5 HD13 LEU 5 5.193 1.319 7.224 30 HD21 LEU 5 HD21 LEU 5 5.636 4.009 5.159 31 HD22 LEU 5 HD22 LEU 5 4.635 3.125 6.310 32 HD23 LEU 5 HD23 LEU 5 4.467 2.821 4.581 33 H ALA 6 HN ALA 6 10.582 2.162 6.651 34 HA ALA 6 HA ALA 6 12.097 3.593 4.572 35 HB1 ALA 6 HB1 ALA 6 13.611 4.242 6.327 36 HB2 ALA 6 HB2 ALA 6 13.012 2.975 7.397 37 HB3 ALA 6 HB3 ALA 6 11.985 4.352 7.000 38 H CGU 7 HN GLA 7 12.365 0.565 6.403 39 HA CGU 7 HA GLA 7 14.973 -0.149 5.474 40 HB2 CGU 7 HB1 GLA 7 14.354 -2.454 6.101 41 HB3 CGU 7 HB2 GLA 7 12.666 -1.975 6.237 42 HG CGU 7 HG GLA 7 13.355 -0.298 7.977 43 H LYS 8 HN LYS 8 11.790 -0.350 3.988 44 HA LYS 8 HA LYS 8 12.706 -2.114 1.846 45 HB2 LYS 8 HB2 LYS 8 10.174 -0.658 2.492 46 HB3 LYS 8 HB1 LYS 8 10.438 -1.176 0.829 47 HG2 LYS 8 HG2 LYS 8 10.972 -3.480 1.743 48 HG3 LYS 8 HG1 LYS 8 10.399 -2.906 3.310 49 HD2 LYS 8 HD2 LYS 8 8.221 -2.309 2.252 50 HD3 LYS 8 HD1 LYS 8 8.797 -3.007 0.738 51 HE2 LYS 8 HE2 LYS 8 9.190 -5.168 1.989 52 HE3 LYS 8 HE1 LYS 8 8.367 -4.443 3.370 53 HZ1 LYS 8 HZ1 LYS 8 7.221 -4.828 0.658 54 HZ2 LYS 8 HZ2 LYS 8 6.427 -4.079 1.960 55 HZ3 LYS 8 HZ3 LYS 8 6.833 -5.728 2.041 56 H ALA 9 HN ALA 9 12.312 1.378 2.308 57 HA ALA 9 HA ALA 9 12.872 1.991 -0.490 58 HB1 ALA 9 HB1 ALA 9 12.563 3.575 2.043 59 HB2 ALA 9 HB2 ALA 9 11.687 3.727 0.519 60 HB3 ALA 9 HB3 ALA 9 13.337 4.334 0.651 61 H ALA 10 HN ALA 10 14.704 1.661 2.496 62 HA ALA 10 HA ALA 10 17.158 2.815 1.541 63 HB1 ALA 10 HB1 ALA 10 16.517 0.819 3.721 64 HB2 ALA 10 HB2 ALA 10 16.957 2.517 3.898 65 HB3 ALA 10 HB3 ALA 10 18.168 1.341 3.388 66 H CGU 11 HN GLA 11 15.694 -0.375 1.241 67 HA CGU 11 HA GLA 11 18.126 -1.620 0.207 68 HB2 CGU 11 HB1 GLA 11 15.216 -2.479 0.192 69 HB3 CGU 11 HB2 GLA 11 16.526 -3.142 1.173 70 HG CGU 11 HG GLA 11 17.506 -3.462 -1.385 71 H PHE 12 HN PHE 12 15.137 -0.301 -1.256 72 HA PHE 12 HA PHE 12 15.741 -0.904 -3.971 73 HB2 PHE 12 HB2 PHE 12 14.624 1.819 -3.128 74 HB3 PHE 12 HB1 PHE 12 14.307 0.912 -4.634 75 HD1 PHE 12 HD1 PHE 12 12.062 1.923 -2.914 76 HD2 PHE 12 HD2 PHE 12 14.199 -1.807 -2.735 77 HE1 PHE 12 HE1 PHE 12 10.098 0.837 -1.888 78 HE2 PHE 12 HE2 PHE 12 12.232 -2.878 -1.708 79 HZ PHE 12 HZ PHE 12 10.178 -1.563 -1.288 80 H ALA 13 HN ALA 13 17.178 1.408 -1.779 81 HA ALA 13 HA ALA 13 18.567 2.964 -3.789 82 HB1 ALA 13 HB1 ALA 13 19.200 2.521 -0.854 83 HB2 ALA 13 HB2 ALA 13 18.338 3.890 -1.557 84 HB3 ALA 13 HB3 ALA 13 20.054 3.667 -1.887 85 H ARG 14 HN ARG 14 19.837 0.398 -1.583 86 HA ARG 14 HA ARG 14 22.401 0.162 -2.612 87 HB2 ARG 14 HB2 ARG 14 20.474 -1.915 -1.593 88 HB3 ARG 14 HB1 ARG 14 22.061 -2.397 -2.195 89 HG2 ARG 14 HG2 ARG 14 22.191 -2.031 0.214 90 HG3 ARG 14 HG1 ARG 14 23.112 -0.779 -0.618 91 HD2 ARG 14 HD2 ARG 14 21.290 0.807 -0.368 92 HD3 ARG 14 HD1 ARG 14 20.247 -0.443 0.312 93 HE ARG 14 HE ARG 14 22.078 1.109 1.822 94 HH11 ARG 14 HH11 ARG 14 23.885 -0.956 2.250 95 HH12 ARG 14 HH12 ARG 14 23.151 -2.020 3.402 96 HH21 ARG 14 HH21 ARG 14 19.948 -0.790 2.894 97 HH22 ARG 14 HH22 ARG 14 20.922 -1.926 3.767 98 H CGU 15 HN GLA 15 19.410 -1.071 -4.087 99 HA CGU 15 HA GLA 15 20.874 -2.420 -6.243 100 HB2 CGU 15 HB1 GLA 15 18.820 -3.159 -7.013 101 HB3 CGU 15 HB2 GLA 15 17.980 -1.683 -6.543 102 HG CGU 15 HG GLA 15 17.933 -2.337 -4.245 103 H LEU 16 HN LEU 16 19.285 0.703 -5.794 104 HA LEU 16 HA LEU 16 19.302 1.525 -8.529 105 HB2 LEU 16 HB2 LEU 16 18.124 2.657 -6.569 106 HB3 LEU 16 HB1 LEU 16 19.686 3.358 -6.151 107 HG LEU 16 HG LEU 16 18.622 3.608 -8.955 108 HD11 LEU 16 HD11 LEU 16 17.909 5.335 -6.568 109 HD12 LEU 16 HD12 LEU 16 16.795 4.412 -7.576 110 HD13 LEU 16 HD13 LEU 16 17.639 5.808 -8.246 111 HD21 LEU 16 HD21 LEU 16 20.480 4.866 -9.185 112 HD22 LEU 16 HD22 LEU 16 20.921 4.503 -7.517 113 HD23 LEU 16 HD23 LEU 16 19.944 5.924 -7.881 114 H ALA 17 HN ALA 17 21.811 1.479 -6.064 115 HA ALA 17 HA ALA 17 23.651 3.138 -7.607 116 HB1 ALA 17 HB1 ALA 17 24.727 1.282 -5.556 117 HB2 ALA 17 HB2 ALA 17 23.542 2.456 -4.986 118 HB3 ALA 17 HB3 ALA 17 25.018 3.007 -5.777 119 H ASN 18 HN ASN 18 22.999 -0.306 -7.251 120 HA ASN 18 HA ASN 18 25.410 -1.104 -8.723 121 HB2 ASN 18 HB2 ASN 18 23.045 -2.933 -8.499 122 HB3 ASN 18 HB1 ASN 18 24.763 -3.290 -8.331 123 HD21 ASN 18 HD21 ASN 18 24.870 -0.732 -6.512 124 HD22 ASN 18 HD22 ASN 18 24.332 -1.334 -4.990 125 H TYR 19 HN TYR 19 23.025 0.667 -9.826 126 HA TYR 19 HA TYR 19 22.130 -0.864 -12.141 127 HB2 TYR 19 HB2 TYR 19 20.894 1.046 -12.722 128 HB3 TYR 19 HB1 TYR 19 20.981 1.179 -10.967 129 HD1 TYR 19 HD1 TYR 19 23.477 2.235 -10.260 130 HD2 TYR 19 HD2 TYR 19 21.191 3.088 -13.796 131 HE1 TYR 19 HE1 TYR 19 24.631 4.417 -10.479 132 HE2 TYR 19 HE2 TYR 19 22.347 5.272 -14.015 133 HH TYR 19 HH TYR 19 23.623 6.800 -12.853 134 HN1 NH2 20 H1 NH2 20 24.820 1.286 -11.393 135 HN2 NH2 20 H2 NH2 20 25.522 1.258 -12.963
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