NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8903 | 1n1u | 5609 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 5.474 3.139 -2.277 2 HA ALA 1 HA ALA 1 5.227 3.285 -4.531 3 1HB ALA 1 1HB ALA 1 5.202 0.271 -4.357 4 2HB ALA 1 2HB ALA 1 6.638 1.290 -4.459 5 3HB ALA 1 3HB ALA 1 5.508 1.223 -5.810 6 H GLY 2 H GLY 2 3.616 0.614 -5.558 7 1HA GLY 2 2HA GLY 2 1.099 2.100 -5.669 8 2HA GLY 2 1HA GLY 2 1.540 0.739 -6.687 9 H GLU 3 H GLU 3 2.030 0.564 -3.246 10 HA GLU 3 HA GLU 3 0.340 -1.734 -3.051 11 1HB GLU 3 2HB GLU 3 2.416 -1.368 -1.684 12 2HB GLU 3 1HB GLU 3 1.556 -0.116 -0.804 13 1HG GLU 3 2HG GLU 3 1.467 -2.052 0.521 14 2HG GLU 3 1HG GLU 3 -0.136 -1.854 -0.183 15 H THR 4 H THR 4 -1.783 -1.735 -2.748 16 HA THR 4 HA THR 4 -3.010 0.691 -1.655 17 HB THR 4 HB THR 4 -5.128 -0.163 -2.743 18 HG1 THR 4 HG1 THR 4 -3.345 -1.703 -4.337 19 1HG2 THR 4 1HG2 THR 4 -4.133 0.421 -5.130 20 2HG2 THR 4 2HG2 THR 4 -2.733 0.891 -4.163 21 3HG2 THR 4 3HG2 THR 4 -4.300 1.648 -3.874 22 H CYS 5 H CYS 5 -4.806 0.473 -0.248 23 HA CYS 5 HA CYS 5 -4.873 -2.117 1.158 24 1HB CYS 5 2HB CYS 5 -3.726 -0.246 2.424 25 2HB CYS 5 1HB CYS 5 -5.276 0.591 2.450 26 H VAL 6 H VAL 6 -6.543 -1.463 -0.974 27 HA VAL 6 HA VAL 6 -9.021 -0.371 -0.197 28 HB VAL 6 HB VAL 6 -8.609 -2.464 -2.333 29 1HG1 VAL 6 1HG1 VAL 6 -10.742 -0.396 -1.864 30 2HG1 VAL 6 2HG1 VAL 6 -10.924 -2.149 -1.915 31 3HG1 VAL 6 3HG1 VAL 6 -10.543 -1.257 -3.389 32 1HG2 VAL 6 1HG2 VAL 6 -7.030 -0.656 -2.687 33 2HG2 VAL 6 2HG2 VAL 6 -8.323 0.532 -2.526 34 3HG2 VAL 6 3HG2 VAL 6 -8.315 -0.583 -3.892 35 H GLY 7 H GLY 7 -7.761 -3.660 -0.155 36 1HA GLY 7 2HA GLY 7 -10.237 -4.756 0.875 37 2HA GLY 7 1HA GLY 7 -8.752 -5.634 0.564 38 H GLY 8 H GLY 8 -8.037 -2.932 2.275 39 1HA GLY 8 2HA GLY 8 -7.737 -2.444 4.526 40 2HA GLY 8 1HA GLY 8 -8.672 -3.876 4.917 41 H THR 9 H THR 9 -6.201 -4.541 2.747 42 HA THR 9 HA THR 9 -4.180 -5.074 4.771 43 HB THR 9 HB THR 9 -3.904 -7.432 3.838 44 HG1 THR 9 HG1 THR 9 -5.481 -6.940 2.080 45 1HG2 THR 9 1HG2 THR 9 -5.974 -8.268 5.207 46 2HG2 THR 9 2HG2 THR 9 -6.129 -6.564 5.635 47 3HG2 THR 9 3HG2 THR 9 -4.648 -7.439 6.023 48 H CYS 10 H CYS 10 -2.114 -5.138 3.946 49 HA CYS 10 HA CYS 10 -1.847 -4.490 1.091 50 1HB CYS 10 2HB CYS 10 0.389 -4.209 3.054 51 2HB CYS 10 1HB CYS 10 0.114 -3.336 1.560 52 H ASN 11 H ASN 11 -0.017 -5.354 -0.030 53 HA ASN 11 HA ASN 11 0.321 -8.185 0.481 54 1HB ASN 11 2HB ASN 11 1.423 -6.384 -1.693 55 2HB ASN 11 1HB ASN 11 1.621 -8.133 -1.647 56 1HD2 ASN 11 1HD2 ASN 11 -0.430 -5.516 -2.423 57 2HD2 ASN 11 2HD2 ASN 11 -1.756 -6.451 -3.033 58 H THR 12 H THR 12 2.206 -5.239 0.526 59 HA THR 12 HA THR 12 4.725 -6.456 1.045 60 HB THR 12 HB THR 12 3.812 -3.621 1.585 61 HG1 THR 12 HG1 THR 12 3.662 -4.155 -0.625 62 1HG2 THR 12 1HG2 THR 12 5.899 -3.093 2.229 63 2HG2 THR 12 2HG2 THR 12 6.633 -4.095 0.976 64 3HG2 THR 12 3HG2 THR 12 6.111 -4.825 2.495 65 HA PRO 13 HA PRO 13 4.011 -7.465 5.325 66 1HB PRO 13 2HB PRO 13 6.924 -7.819 5.436 67 2HB PRO 13 1HB PRO 13 5.641 -9.002 5.700 68 1HG PRO 13 2HG PRO 13 7.212 -9.042 3.513 69 2HG PRO 13 1HG PRO 13 5.519 -9.563 3.474 70 1HD PRO 13 2HD PRO 13 6.738 -6.999 2.536 71 2HD PRO 13 1HD PRO 13 5.428 -7.957 1.817 72 H GLY 14 H GLY 14 4.009 -6.269 7.110 73 1HA GLY 14 2HA GLY 14 4.601 -4.692 8.681 74 2HA GLY 14 1HA GLY 14 6.140 -4.518 7.855 75 H ALA 15 H ALA 15 3.203 -4.104 6.061 76 HA ALA 15 HA ALA 15 3.828 -1.257 5.794 77 1HB ALA 15 1HB ALA 15 2.150 -1.413 3.881 78 2HB ALA 15 2HB ALA 15 2.225 -3.160 4.107 79 3HB ALA 15 3HB ALA 15 3.680 -2.264 3.673 80 H THR 16 H THR 16 2.430 0.320 6.404 81 HA THR 16 HA THR 16 0.211 -0.489 8.100 82 HB THR 16 HB THR 16 0.933 2.364 7.571 83 HG1 THR 16 HG1 THR 16 2.595 0.443 8.595 84 1HG2 THR 16 1HG2 THR 16 0.127 0.927 10.099 85 2HG2 THR 16 2HG2 THR 16 -0.995 1.750 9.016 86 3HG2 THR 16 3HG2 THR 16 0.246 2.671 9.864 87 H CYS 17 H CYS 17 -1.904 0.215 7.772 88 HA CYS 17 HA CYS 17 -2.618 0.512 4.996 89 1HB CYS 17 2HB CYS 17 -3.861 -1.024 6.493 90 2HB CYS 17 1HB CYS 17 -4.418 0.366 7.419 91 H SER 18 H SER 18 -3.442 2.222 4.016 92 HA SER 18 HA SER 18 -4.217 4.605 5.494 93 1HB SER 18 2HB SER 18 -2.148 4.646 3.279 94 2HB SER 18 1HB SER 18 -2.779 6.052 4.135 95 HG SER 18 HG SER 18 -1.918 4.464 6.005 96 H TRP 19 H TRP 19 -6.035 3.138 4.575 97 HA TRP 19 HA TRP 19 -6.837 2.658 2.134 98 1HB TRP 19 2HB TRP 19 -8.188 2.736 4.410 99 2HB TRP 19 1HB TRP 19 -8.854 4.202 3.693 100 HD1 TRP 19 HD1 TRP 19 -8.846 0.418 3.309 101 HE1 TRP 19 HE1 TRP 19 -10.650 -0.272 1.610 102 HE3 TRP 19 HE3 TRP 19 -10.166 5.051 1.616 103 HZ2 TRP 19 HZ2 TRP 19 -12.403 0.982 -0.205 104 HZ3 TRP 19 HZ3 TRP 19 -11.920 5.223 -0.103 105 HH2 TRP 19 HH2 TRP 19 -13.015 3.229 -0.994 106 HA PRO 20 HA PRO 20 -7.582 2.450 0.581 107 1HB PRO 20 2HB PRO 20 -7.700 2.675 -2.041 108 2HB PRO 20 1HB PRO 20 -9.023 3.255 -1.029 109 1HG PRO 20 2HG PRO 20 -6.907 4.808 -2.438 110 2HG PRO 20 1HG PRO 20 -8.607 5.223 -2.160 111 1HD PRO 20 2HD PRO 20 -6.380 6.073 -0.632 112 2HD PRO 20 1HD PRO 20 -8.093 6.283 -0.222 113 H VAL 21 H VAL 21 -4.890 3.893 0.985 114 HA VAL 21 HA VAL 21 -3.372 2.111 -0.813 115 HB VAL 21 HB VAL 21 -1.494 3.782 -0.736 116 1HG1 VAL 21 1HG1 VAL 21 -3.806 5.088 -2.081 117 2HG1 VAL 21 2HG1 VAL 21 -3.366 3.449 -2.564 118 3HG1 VAL 21 3HG1 VAL 21 -2.185 4.752 -2.691 119 1HG2 VAL 21 1HG2 VAL 21 -1.660 5.767 0.276 120 2HG2 VAL 21 2HG2 VAL 21 -3.023 5.056 1.141 121 3HG2 VAL 21 3HG2 VAL 21 -3.306 6.028 -0.303 122 H CYS 22 H CYS 22 -0.898 2.196 0.070 123 HA CYS 22 HA CYS 22 -1.051 1.649 2.964 124 1HB CYS 22 2HB CYS 22 0.297 -0.008 0.828 125 2HB CYS 22 1HB CYS 22 0.594 -0.216 2.552 126 H THR 23 H THR 23 0.656 2.271 4.200 127 HA THR 23 HA THR 23 2.953 3.487 2.829 128 HB THR 23 HB THR 23 2.974 5.276 4.591 129 HG1 THR 23 HG1 THR 23 0.247 4.853 5.081 130 1HG2 THR 23 1HG2 THR 23 0.861 5.036 2.502 131 2HG2 THR 23 2HG2 THR 23 2.211 6.165 2.620 132 3HG2 THR 23 3HG2 THR 23 0.778 6.398 3.620 133 H ARG 24 H ARG 24 4.859 3.656 4.160 134 HA ARG 24 HA ARG 24 4.894 2.139 6.638 135 1HB ARG 24 2HB ARG 24 5.302 0.463 4.849 136 2HB ARG 24 1HB ARG 24 6.668 1.418 4.292 137 1HG ARG 24 2HG ARG 24 7.762 1.087 6.468 138 2HG ARG 24 1HG ARG 24 6.407 0.076 6.973 139 1HD ARG 24 2HD ARG 24 8.343 -1.238 6.187 140 2HD ARG 24 1HD ARG 24 6.890 -1.520 5.231 141 HE ARG 24 HE ARG 24 8.059 -0.831 3.417 142 1HH1 ARG 24 1HH1 ARG 24 9.519 0.691 6.223 143 2HH1 ARG 24 2HH1 ARG 24 10.758 1.479 5.302 144 1HH2 ARG 24 1HH2 ARG 24 9.691 0.216 2.208 145 2HH2 ARG 24 2HH2 ARG 24 10.853 1.213 3.018 146 H ASN 25 H ASN 25 6.164 3.144 8.044 147 HA ASN 25 HA ASN 25 7.603 4.627 8.970 148 1HB ASN 25 2HB ASN 25 9.140 4.115 6.415 149 2HB ASN 25 1HB ASN 25 9.761 5.089 7.743 150 1HD2 ASN 25 1HD2 ASN 25 10.959 4.078 9.174 151 2HD2 ASN 25 2HD2 ASN 25 10.967 2.376 9.475 152 H GLY 26 H GLY 26 5.381 5.571 7.407 153 1HA GLY 26 2HA GLY 26 4.510 7.656 6.945 154 2HA GLY 26 1HA GLY 26 6.086 8.345 7.300 155 H LEU 27 H LEU 27 6.169 5.839 5.001 156 HA LEU 27 HA LEU 27 6.101 7.778 2.782 157 1HB LEU 27 2HB LEU 27 8.071 5.518 3.180 158 2HB LEU 27 1HB LEU 27 7.959 6.512 1.740 159 HG LEU 27 HG LEU 27 8.676 7.545 4.486 160 1HD1 LEU 27 1HD1 LEU 27 10.936 7.849 3.371 161 2HD1 LEU 27 2HD1 LEU 27 10.356 6.736 2.131 162 3HD1 LEU 27 3HD1 LEU 27 10.482 6.200 3.807 163 1HD2 LEU 27 1HD2 LEU 27 8.736 8.864 1.773 164 2HD2 LEU 27 2HD2 LEU 27 9.327 9.573 3.277 165 3HD2 LEU 27 3HD2 LEU 27 7.609 9.225 3.081 166 HA PRO 28 HA PRO 28 3.143 4.944 1.112 167 1HB PRO 28 2HB PRO 28 4.018 5.804 -1.545 168 2HB PRO 28 1HB PRO 28 2.435 5.951 -0.785 169 1HG PRO 28 2HG PRO 28 4.075 8.079 -1.183 170 2HG PRO 28 1HG PRO 28 2.920 7.982 0.157 171 1HD PRO 28 2HD PRO 28 5.875 7.642 0.172 172 2HD PRO 28 1HD PRO 28 4.801 8.274 1.435 173 H VAL 29 H VAL 29 3.167 2.913 0.375 174 HA VAL 29 HA VAL 29 5.764 1.760 -0.248 175 HB VAL 29 HB VAL 29 3.144 0.285 0.144 176 1HG1 VAL 29 1HG1 VAL 29 5.035 -0.907 -1.004 177 2HG1 VAL 29 2HG1 VAL 29 4.485 -1.658 0.495 178 3HG1 VAL 29 3HG1 VAL 29 5.972 -0.710 0.477 179 1HG2 VAL 29 1HG2 VAL 29 3.530 1.505 2.151 180 2HG2 VAL 29 2HG2 VAL 29 5.242 1.083 2.152 181 3HG2 VAL 29 3HG2 VAL 29 4.027 -0.162 2.445 Start of MODEL 2 1 H ALA 1 H ALA 1 4.462 3.659 -3.898 2 HA ALA 1 HA ALA 1 1.907 4.184 -5.085 3 1HB ALA 1 1HB ALA 1 4.580 3.847 -6.441 4 2HB ALA 1 2HB ALA 1 3.975 5.361 -5.770 5 3HB ALA 1 3HB ALA 1 3.135 4.595 -7.119 6 H GLY 2 H GLY 2 0.582 2.757 -5.983 7 1HA GLY 2 2HA GLY 2 0.083 0.936 -7.421 8 2HA GLY 2 1HA GLY 2 1.669 0.265 -7.072 9 H GLU 3 H GLU 3 1.548 0.478 -4.241 10 HA GLU 3 HA GLU 3 -0.045 -1.867 -3.711 11 1HB GLU 3 2HB GLU 3 2.306 -1.290 -2.754 12 2HB GLU 3 1HB GLU 3 1.423 -0.297 -1.607 13 1HG GLU 3 2HG GLU 3 0.266 -2.186 -0.741 14 2HG GLU 3 1HG GLU 3 0.886 -3.223 -2.019 15 H THR 4 H THR 4 -2.155 -1.599 -3.455 16 HA THR 4 HA THR 4 -3.118 0.789 -2.070 17 HB THR 4 HB THR 4 -5.380 0.045 -2.908 18 HG1 THR 4 HG1 THR 4 -4.031 -1.476 -4.853 19 1HG2 THR 4 1HG2 THR 4 -5.007 0.914 -5.171 20 2HG2 THR 4 2HG2 THR 4 -3.270 0.677 -4.978 21 3HG2 THR 4 3HG2 THR 4 -4.116 1.853 -3.973 22 H CYS 5 H CYS 5 -4.696 0.622 -0.448 23 HA CYS 5 HA CYS 5 -4.696 -1.982 0.930 24 1HB CYS 5 2HB CYS 5 -3.403 -0.092 2.053 25 2HB CYS 5 1HB CYS 5 -4.955 0.711 2.284 26 H VAL 6 H VAL 6 -6.561 -1.362 -1.011 27 HA VAL 6 HA VAL 6 -8.932 -0.189 -0.052 28 HB VAL 6 HB VAL 6 -8.738 -2.376 -2.126 29 1HG1 VAL 6 1HG1 VAL 6 -10.861 -1.881 -2.770 30 2HG1 VAL 6 2HG1 VAL 6 -10.740 -0.196 -2.268 31 3HG1 VAL 6 3HG1 VAL 6 -10.993 -1.458 -1.063 32 1HG2 VAL 6 1HG2 VAL 6 -7.284 -0.205 -2.360 33 2HG2 VAL 6 2HG2 VAL 6 -8.822 0.518 -2.832 34 3HG2 VAL 6 3HG2 VAL 6 -8.172 -0.846 -3.743 35 H GLY 7 H GLY 7 -7.758 -3.510 0.005 36 1HA GLY 7 2HA GLY 7 -10.148 -4.455 1.370 37 2HA GLY 7 1HA GLY 7 -8.771 -5.418 0.873 38 H GLY 8 H GLY 8 -7.875 -2.628 2.462 39 1HA GLY 8 2HA GLY 8 -7.029 -2.176 4.556 40 2HA GLY 8 1HA GLY 8 -8.125 -3.401 5.164 41 H THR 9 H THR 9 -5.762 -4.068 2.752 42 HA THR 9 HA THR 9 -3.877 -5.214 4.631 43 HB THR 9 HB THR 9 -4.020 -7.328 2.950 44 HG1 THR 9 HG1 THR 9 -6.720 -6.470 3.323 45 1HG2 THR 9 1HG2 THR 9 -5.826 -8.082 4.876 46 2HG2 THR 9 2HG2 THR 9 -4.996 -6.727 5.640 47 3HG2 THR 9 3HG2 THR 9 -4.072 -8.109 5.054 48 H CYS 10 H CYS 10 -1.837 -5.609 3.725 49 HA CYS 10 HA CYS 10 -1.440 -4.621 0.979 50 1HB CYS 10 2HB CYS 10 0.445 -4.222 3.300 51 2HB CYS 10 1HB CYS 10 0.668 -3.635 1.662 52 H ASN 11 H ASN 11 0.789 -5.261 0.193 53 HA ASN 11 HA ASN 11 1.028 -8.143 0.527 54 1HB ASN 11 2HB ASN 11 2.231 -6.195 -1.444 55 2HB ASN 11 1HB ASN 11 2.727 -7.881 -1.363 56 1HD2 ASN 11 1HD2 ASN 11 1.753 -9.152 -2.747 57 2HD2 ASN 11 2HD2 ASN 11 0.171 -8.932 -3.403 58 H THR 12 H THR 12 2.715 -5.176 1.165 59 HA THR 12 HA THR 12 5.208 -6.396 1.887 60 HB THR 12 HB THR 12 4.186 -3.665 2.693 61 HG1 THR 12 HG1 THR 12 4.168 -3.640 0.481 62 1HG2 THR 12 1HG2 THR 12 6.764 -5.088 2.926 63 2HG2 THR 12 2HG2 THR 12 6.080 -3.806 3.926 64 3HG2 THR 12 3HG2 THR 12 6.852 -3.409 2.391 65 HA PRO 13 HA PRO 13 3.882 -7.766 5.923 66 1HB PRO 13 2HB PRO 13 6.342 -8.426 6.883 67 2HB PRO 13 1HB PRO 13 5.431 -9.450 5.766 68 1HG PRO 13 2HG PRO 13 7.672 -7.554 5.203 69 2HG PRO 13 1HG PRO 13 7.367 -9.165 4.538 70 1HD PRO 13 2HD PRO 13 6.792 -6.886 3.184 71 2HD PRO 13 1HD PRO 13 5.857 -8.382 2.988 72 H GLY 14 H GLY 14 3.486 -6.606 7.668 73 1HA GLY 14 2HA GLY 14 3.702 -5.084 9.384 74 2HA GLY 14 1HA GLY 14 5.416 -4.995 9.009 75 H ALA 15 H ALA 15 2.956 -4.326 6.625 76 HA ALA 15 HA ALA 15 3.968 -1.614 6.373 77 1HB ALA 15 1HB ALA 15 1.974 -1.902 4.492 78 2HB ALA 15 2HB ALA 15 2.654 -3.524 4.619 79 3HB ALA 15 3HB ALA 15 3.698 -2.158 4.225 80 H THR 16 H THR 16 2.689 0.229 6.539 81 HA THR 16 HA THR 16 0.414 -0.043 8.330 82 HB THR 16 HB THR 16 1.298 2.604 7.297 83 HG1 THR 16 HG1 THR 16 2.854 0.837 8.858 84 1HG2 THR 16 1HG2 THR 16 0.413 1.518 9.966 85 2HG2 THR 16 2HG2 THR 16 -0.470 2.611 8.900 86 3HG2 THR 16 3HG2 THR 16 0.981 3.171 9.731 87 H CYS 17 H CYS 17 -1.650 0.659 7.814 88 HA CYS 17 HA CYS 17 -2.197 0.777 4.954 89 1HB CYS 17 2HB CYS 17 -3.411 -0.890 6.302 90 2HB CYS 17 1HB CYS 17 -4.110 0.408 7.261 91 H SER 18 H SER 18 -2.893 2.489 3.946 92 HA SER 18 HA SER 18 -3.953 4.773 5.442 93 1HB SER 18 2HB SER 18 -1.816 4.827 3.300 94 2HB SER 18 1HB SER 18 -2.692 6.261 3.830 95 HG SER 18 HG SER 18 -0.732 4.771 5.144 96 H TRP 19 H TRP 19 -5.754 3.314 4.642 97 HA TRP 19 HA TRP 19 -6.621 2.722 2.232 98 1HB TRP 19 2HB TRP 19 -7.881 2.786 4.540 99 2HB TRP 19 1HB TRP 19 -8.580 4.263 3.882 100 HD1 TRP 19 HD1 TRP 19 -8.628 0.486 3.470 101 HE1 TRP 19 HE1 TRP 19 -10.536 -0.173 1.874 102 HE3 TRP 19 HE3 TRP 19 -9.971 5.140 1.869 103 HZ2 TRP 19 HZ2 TRP 19 -12.369 1.115 0.162 104 HZ3 TRP 19 HZ3 TRP 19 -11.815 5.348 0.250 105 HH2 TRP 19 HH2 TRP 19 -12.989 3.375 -0.586 106 HA PRO 20 HA PRO 20 -7.397 2.476 0.697 107 1HB PRO 20 2HB PRO 20 -7.709 2.682 -1.913 108 2HB PRO 20 1HB PRO 20 -8.977 3.209 -0.807 109 1HG PRO 20 2HG PRO 20 -7.075 4.838 -2.407 110 2HG PRO 20 1HG PRO 20 -8.741 5.204 -1.930 111 1HD PRO 20 2HD PRO 20 -6.341 6.069 -0.655 112 2HD PRO 20 1HD PRO 20 -8.009 6.325 -0.103 113 H VAL 21 H VAL 21 -4.729 3.869 0.988 114 HA VAL 21 HA VAL 21 -3.303 2.193 -0.984 115 HB VAL 21 HB VAL 21 -1.462 3.881 -1.039 116 1HG1 VAL 21 1HG1 VAL 21 -2.707 5.455 -2.577 117 2HG1 VAL 21 2HG1 VAL 21 -4.175 4.582 -2.135 118 3HG1 VAL 21 3HG1 VAL 21 -2.856 3.736 -2.943 119 1HG2 VAL 21 1HG2 VAL 21 -3.456 5.444 0.541 120 2HG2 VAL 21 2HG2 VAL 21 -2.352 6.278 -0.552 121 3HG2 VAL 21 3HG2 VAL 21 -1.712 5.293 0.764 122 H CYS 22 H CYS 22 -1.035 1.728 -0.392 123 HA CYS 22 HA CYS 22 -0.922 1.101 2.459 124 1HB CYS 22 2HB CYS 22 0.537 0.019 0.052 125 2HB CYS 22 1HB CYS 22 0.974 -0.410 1.704 126 H THR 23 H THR 23 0.934 1.488 3.704 127 HA THR 23 HA THR 23 2.868 3.403 2.613 128 HB THR 23 HB THR 23 2.687 4.577 4.927 129 HG1 THR 23 HG1 THR 23 0.704 2.783 5.105 130 1HG2 THR 23 1HG2 THR 23 2.123 6.011 3.249 131 2HG2 THR 23 2HG2 THR 23 0.521 5.807 3.958 132 3HG2 THR 23 3HG2 THR 23 0.974 4.886 2.523 133 H ARG 24 H ARG 24 4.906 3.234 3.466 134 HA ARG 24 HA ARG 24 5.280 1.224 5.587 135 1HB ARG 24 2HB ARG 24 6.978 1.609 3.108 136 2HB ARG 24 1HB ARG 24 7.362 0.517 4.434 137 1HG ARG 24 2HG ARG 24 5.376 -0.785 3.986 138 2HG ARG 24 1HG ARG 24 4.891 0.343 2.723 139 1HD ARG 24 2HD ARG 24 7.387 -1.346 2.704 140 2HD ARG 24 1HD ARG 24 5.906 -1.702 1.820 141 HE ARG 24 HE ARG 24 7.285 0.824 1.291 142 1HH1 ARG 24 1HH1 ARG 24 6.238 -2.343 0.224 143 2HH1 ARG 24 2HH1 ARG 24 6.730 -2.093 -1.418 144 1HH2 ARG 24 1HH2 ARG 24 7.943 1.159 -0.882 145 2HH2 ARG 24 2HH2 ARG 24 7.705 -0.098 -2.049 146 H ASN 25 H ASN 25 6.164 2.095 7.302 147 HA ASN 25 HA ASN 25 7.271 3.495 8.702 148 1HB ASN 25 2HB ASN 25 9.175 2.577 7.112 149 2HB ASN 25 1HB ASN 25 9.217 4.246 6.551 150 1HD2 ASN 25 1HD2 ASN 25 10.722 2.214 8.512 151 2HD2 ASN 25 2HD2 ASN 25 11.252 3.289 9.756 152 H GLY 26 H GLY 26 5.082 4.556 7.415 153 1HA GLY 26 2HA GLY 26 4.020 6.590 7.254 154 2HA GLY 26 1HA GLY 26 5.518 7.352 7.761 155 H LEU 27 H LEU 27 5.896 5.331 5.052 156 HA LEU 27 HA LEU 27 5.852 7.688 3.288 157 1HB LEU 27 2HB LEU 27 8.093 6.715 3.664 158 2HB LEU 27 1HB LEU 27 7.515 5.176 3.060 159 HG LEU 27 HG LEU 27 7.060 6.304 0.858 160 1HD1 LEU 27 1HD1 LEU 27 7.735 8.613 2.393 161 2HD1 LEU 27 2HD1 LEU 27 7.160 8.511 0.730 162 3HD1 LEU 27 3HD1 LEU 27 8.889 8.435 1.071 163 1HD2 LEU 27 1HD2 LEU 27 9.356 6.214 0.135 164 2HD2 LEU 27 2HD2 LEU 27 9.064 4.930 1.308 165 3HD2 LEU 27 3HD2 LEU 27 9.923 6.390 1.796 166 HA PRO 28 HA PRO 28 2.484 5.559 1.300 167 1HB PRO 28 2HB PRO 28 2.961 7.382 -0.938 168 2HB PRO 28 1HB PRO 28 1.524 7.193 0.065 169 1HG PRO 28 2HG PRO 28 3.131 9.358 0.248 170 2HG PRO 28 1HG PRO 28 2.249 8.702 1.638 171 1HD PRO 28 2HD PRO 28 5.136 8.441 0.924 172 2HD PRO 28 1HD PRO 28 4.376 8.599 2.521 173 H VAL 29 H VAL 29 2.304 3.971 -0.153 174 HA VAL 29 HA VAL 29 4.673 3.394 -1.795 175 HB VAL 29 HB VAL 29 2.546 1.437 -0.887 176 1HG1 VAL 29 1HG1 VAL 29 3.688 -0.193 -1.976 177 2HG1 VAL 29 2HG1 VAL 29 5.253 0.585 -1.736 178 3HG1 VAL 29 3HG1 VAL 29 4.167 1.160 -3.000 179 1HG2 VAL 29 1HG2 VAL 29 3.716 0.967 0.980 180 2HG2 VAL 29 2HG2 VAL 29 4.313 2.616 0.780 181 3HG2 VAL 29 3HG2 VAL 29 5.276 1.254 0.207 Start of MODEL 3 1 H ALA 1 H ALA 1 5.744 2.186 -3.097 2 HA ALA 1 HA ALA 1 3.881 3.236 -4.911 3 1HB ALA 1 1HB ALA 1 5.502 2.583 -6.645 4 2HB ALA 1 2HB ALA 1 6.399 1.668 -5.434 5 3HB ALA 1 3HB ALA 1 6.258 3.420 -5.289 6 H GLY 2 H GLY 2 2.224 2.368 -5.891 7 1HA GLY 2 2HA GLY 2 0.842 0.864 -6.928 8 2HA GLY 2 1HA GLY 2 2.226 -0.206 -7.071 9 H GLU 3 H GLU 3 1.312 0.886 -3.918 10 HA GLU 3 HA GLU 3 0.192 -1.785 -3.374 11 1HB GLU 3 2HB GLU 3 2.397 -1.234 -2.300 12 2HB GLU 3 1HB GLU 3 1.590 0.051 -1.428 13 1HG GLU 3 2HG GLU 3 1.790 -1.778 0.036 14 2HG GLU 3 1HG GLU 3 0.097 -1.668 -0.429 15 H THR 4 H THR 4 -1.932 -1.662 -3.155 16 HA THR 4 HA THR 4 -3.080 0.744 -1.930 17 HB THR 4 HB THR 4 -5.238 0.011 -2.912 18 HG1 THR 4 HG1 THR 4 -3.888 -2.229 -3.367 19 1HG2 THR 4 1HG2 THR 4 -4.829 1.160 -4.821 20 2HG2 THR 4 2HG2 THR 4 -3.463 0.138 -5.270 21 3HG2 THR 4 3HG2 THR 4 -3.250 1.422 -4.080 22 H CYS 5 H CYS 5 -4.741 0.536 -0.396 23 HA CYS 5 HA CYS 5 -4.784 -2.077 0.968 24 1HB CYS 5 2HB CYS 5 -3.558 -0.196 2.180 25 2HB CYS 5 1HB CYS 5 -5.123 0.598 2.341 26 H VAL 6 H VAL 6 -6.564 -1.465 -1.046 27 HA VAL 6 HA VAL 6 -8.972 -0.289 -0.194 28 HB VAL 6 HB VAL 6 -8.703 -2.483 -2.253 29 1HG1 VAL 6 1HG1 VAL 6 -10.646 -0.346 -2.685 30 2HG1 VAL 6 2HG1 VAL 6 -10.972 -1.327 -1.256 31 3HG1 VAL 6 3HG1 VAL 6 -10.827 -2.094 -2.837 32 1HG2 VAL 6 1HG2 VAL 6 -8.820 0.277 -3.209 33 2HG2 VAL 6 2HG2 VAL 6 -7.793 -1.060 -3.726 34 3HG2 VAL 6 3HG2 VAL 6 -7.351 -0.106 -2.311 35 H GLY 7 H GLY 7 -7.784 -3.600 -0.032 36 1HA GLY 7 2HA GLY 7 -10.246 -4.571 1.168 37 2HA GLY 7 1HA GLY 7 -8.813 -5.508 0.802 38 H GLY 8 H GLY 8 -8.107 -2.677 2.417 39 1HA GLY 8 2HA GLY 8 -7.501 -2.166 4.582 40 2HA GLY 8 1HA GLY 8 -8.556 -3.466 5.103 41 H THR 9 H THR 9 -6.114 -4.204 2.851 42 HA THR 9 HA THR 9 -4.176 -5.033 4.838 43 HB THR 9 HB THR 9 -4.190 -7.342 3.480 44 HG1 THR 9 HG1 THR 9 -6.929 -6.531 3.555 45 1HG2 THR 9 1HG2 THR 9 -5.744 -8.218 5.338 46 2HG2 THR 9 2HG2 THR 9 -5.764 -6.552 5.914 47 3HG2 THR 9 3HG2 THR 9 -4.240 -7.434 5.818 48 H CYS 10 H CYS 10 -2.112 -5.384 3.968 49 HA CYS 10 HA CYS 10 -1.812 -4.616 1.140 50 1HB CYS 10 2HB CYS 10 0.307 -4.266 3.251 51 2HB CYS 10 1HB CYS 10 0.265 -3.575 1.642 52 H ASN 11 H ASN 11 0.241 -5.401 0.189 53 HA ASN 11 HA ASN 11 0.527 -8.264 0.695 54 1HB ASN 11 2HB ASN 11 1.764 -6.560 -1.488 55 2HB ASN 11 1HB ASN 11 1.688 -8.317 -1.443 56 1HD2 ASN 11 1HD2 ASN 11 0.216 -5.493 -2.508 57 2HD2 ASN 11 2HD2 ASN 11 -1.281 -6.188 -3.038 58 H THR 12 H THR 12 2.231 -5.249 0.765 59 HA THR 12 HA THR 12 4.851 -6.229 1.188 60 HB THR 12 HB THR 12 3.724 -3.555 2.040 61 HG1 THR 12 HG1 THR 12 3.300 -3.995 -0.191 62 1HG2 THR 12 1HG2 THR 12 6.319 -3.277 1.058 63 2HG2 THR 12 2HG2 THR 12 6.369 -4.724 2.065 64 3HG2 THR 12 3HG2 THR 12 5.813 -3.194 2.745 65 HA PRO 13 HA PRO 13 4.361 -7.549 5.420 66 1HB PRO 13 2HB PRO 13 7.021 -7.898 5.945 67 2HB PRO 13 1HB PRO 13 6.029 -9.074 5.077 68 1HG PRO 13 2HG PRO 13 7.916 -7.023 4.001 69 2HG PRO 13 1HG PRO 13 7.656 -8.697 3.482 70 1HD PRO 13 2HD PRO 13 6.613 -6.589 2.148 71 2HD PRO 13 1HD PRO 13 5.788 -8.159 2.241 72 H GLY 14 H GLY 14 4.185 -6.428 7.215 73 1HA GLY 14 2HA GLY 14 4.489 -4.835 8.840 74 2HA GLY 14 1HA GLY 14 6.101 -4.579 8.192 75 H ALA 15 H ALA 15 3.179 -4.210 6.289 76 HA ALA 15 HA ALA 15 3.839 -1.377 5.967 77 1HB ALA 15 1HB ALA 15 1.717 -2.567 4.300 78 2HB ALA 15 2HB ALA 15 3.342 -3.212 4.066 79 3HB ALA 15 3HB ALA 15 3.039 -1.487 3.859 80 H THR 16 H THR 16 2.451 0.227 6.466 81 HA THR 16 HA THR 16 0.207 -0.452 8.187 82 HB THR 16 HB THR 16 0.979 2.356 7.510 83 HG1 THR 16 HG1 THR 16 2.588 0.458 8.709 84 1HG2 THR 16 1HG2 THR 16 -0.918 1.440 9.124 85 2HG2 THR 16 2HG2 THR 16 -0.003 2.899 9.504 86 3HG2 THR 16 3HG2 THR 16 0.431 1.365 10.258 87 H CYS 17 H CYS 17 -1.898 0.295 7.789 88 HA CYS 17 HA CYS 17 -2.520 0.519 4.970 89 1HB CYS 17 2HB CYS 17 -3.774 -1.049 6.444 90 2HB CYS 17 1HB CYS 17 -4.423 0.341 7.308 91 H SER 18 H SER 18 -3.304 2.232 3.966 92 HA SER 18 HA SER 18 -4.174 4.583 5.457 93 1HB SER 18 2HB SER 18 -2.086 4.657 3.262 94 2HB SER 18 1HB SER 18 -2.767 6.060 4.084 95 HG SER 18 HG SER 18 -1.904 4.529 5.996 96 H TRP 19 H TRP 19 -5.970 3.112 4.542 97 HA TRP 19 HA TRP 19 -6.777 2.618 2.104 98 1HB TRP 19 2HB TRP 19 -8.115 2.663 4.373 99 2HB TRP 19 1HB TRP 19 -8.777 4.153 3.705 100 HD1 TRP 19 HD1 TRP 19 -8.842 0.381 3.250 101 HE1 TRP 19 HE1 TRP 19 -10.677 -0.242 1.558 102 HE3 TRP 19 HE3 TRP 19 -10.072 5.066 1.645 103 HZ2 TRP 19 HZ2 TRP 19 -12.421 1.082 -0.218 104 HZ3 TRP 19 HZ3 TRP 19 -11.840 5.308 -0.054 105 HH2 TRP 19 HH2 TRP 19 -12.989 3.354 -0.965 106 HA PRO 20 HA PRO 20 -7.486 2.409 0.543 107 1HB PRO 20 2HB PRO 20 -7.658 2.655 -2.075 108 2HB PRO 20 1HB PRO 20 -8.975 3.191 -1.032 109 1HG PRO 20 2HG PRO 20 -6.950 4.808 -2.491 110 2HG PRO 20 1HG PRO 20 -8.641 5.189 -2.127 111 1HD PRO 20 2HD PRO 20 -6.336 6.028 -0.683 112 2HD PRO 20 1HD PRO 20 -8.035 6.266 -0.226 113 H VAL 21 H VAL 21 -4.827 3.839 0.958 114 HA VAL 21 HA VAL 21 -3.296 2.150 -0.920 115 HB VAL 21 HB VAL 21 -1.447 3.854 -0.813 116 1HG1 VAL 21 1HG1 VAL 21 -3.896 5.007 -2.104 117 2HG1 VAL 21 2HG1 VAL 21 -3.163 3.515 -2.692 118 3HG1 VAL 21 3HG1 VAL 21 -2.231 5.011 -2.684 119 1HG2 VAL 21 1HG2 VAL 21 -2.646 6.238 -0.477 120 2HG2 VAL 21 2HG2 VAL 21 -1.758 5.400 0.796 121 3HG2 VAL 21 3HG2 VAL 21 -3.516 5.281 0.722 122 H CYS 22 H CYS 22 -0.893 2.022 -0.132 123 HA CYS 22 HA CYS 22 -0.983 1.407 2.753 124 1HB CYS 22 2HB CYS 22 0.446 -0.020 0.504 125 2HB CYS 22 1HB CYS 22 0.743 -0.348 2.210 126 H THR 23 H THR 23 0.745 1.951 4.035 127 HA THR 23 HA THR 23 2.980 3.384 2.774 128 HB THR 23 HB THR 23 2.916 5.044 4.661 129 HG1 THR 23 HG1 THR 23 0.225 4.642 5.137 130 1HG2 THR 23 1HG2 THR 23 1.299 4.963 2.315 131 2HG2 THR 23 2HG2 THR 23 1.961 6.370 3.146 132 3HG2 THR 23 3HG2 THR 23 0.374 5.746 3.596 133 H ARG 24 H ARG 24 4.855 3.569 4.193 134 HA ARG 24 HA ARG 24 4.886 1.926 6.574 135 1HB ARG 24 2HB ARG 24 5.349 0.335 4.692 136 2HB ARG 24 1HB ARG 24 6.763 1.297 4.285 137 1HG ARG 24 2HG ARG 24 7.844 0.742 6.315 138 2HG ARG 24 1HG ARG 24 6.367 0.050 6.990 139 1HD ARG 24 2HD ARG 24 7.852 -1.724 6.312 140 2HD ARG 24 1HD ARG 24 6.436 -1.708 5.264 141 HE ARG 24 HE ARG 24 8.443 -0.178 4.058 142 1HH1 ARG 24 1HH1 ARG 24 7.763 -3.509 4.895 143 2HH1 ARG 24 2HH1 ARG 24 8.735 -4.163 3.618 144 1HH2 ARG 24 1HH2 ARG 24 9.724 -1.038 2.358 145 2HH2 ARG 24 2HH2 ARG 24 9.852 -2.755 2.169 146 H ASN 25 H ASN 25 6.082 2.909 8.038 147 HA ASN 25 HA ASN 25 7.478 4.378 9.056 148 1HB ASN 25 2HB ASN 25 9.170 2.986 7.739 149 2HB ASN 25 1HB ASN 25 9.194 4.301 6.570 150 1HD2 ASN 25 1HD2 ASN 25 10.782 5.684 6.847 151 2HD2 ASN 25 2HD2 ASN 25 11.543 6.080 8.344 152 H GLY 26 H GLY 26 5.283 5.360 7.535 153 1HA GLY 26 2HA GLY 26 4.403 7.436 7.076 154 2HA GLY 26 1HA GLY 26 5.968 8.133 7.457 155 H LEU 27 H LEU 27 6.112 5.666 5.116 156 HA LEU 27 HA LEU 27 6.104 7.669 2.954 157 1HB LEU 27 2HB LEU 27 7.940 5.290 3.272 158 2HB LEU 27 1HB LEU 27 7.898 6.348 1.877 159 HG LEU 27 HG LEU 27 8.657 7.203 4.672 160 1HD1 LEU 27 1HD1 LEU 27 10.695 6.449 4.246 161 2HD1 LEU 27 2HD1 LEU 27 10.772 7.467 2.807 162 3HD1 LEU 27 3HD1 LEU 27 10.148 5.821 2.691 163 1HD2 LEU 27 1HD2 LEU 27 9.379 9.272 3.601 164 2HD2 LEU 27 2HD2 LEU 27 7.656 8.998 3.345 165 3HD2 LEU 27 3HD2 LEU 27 8.802 8.678 2.044 166 HA PRO 28 HA PRO 28 2.978 4.964 1.340 167 1HB PRO 28 2HB PRO 28 3.382 6.311 -1.215 168 2HB PRO 28 1HB PRO 28 1.956 6.280 -0.180 169 1HG PRO 28 2HG PRO 28 3.493 8.495 -0.489 170 2HG PRO 28 1HG PRO 28 2.598 8.139 0.997 171 1HD PRO 28 2HD PRO 28 5.509 7.831 0.416 172 2HD PRO 28 1HD PRO 28 4.699 8.307 1.922 173 H VAL 29 H VAL 29 2.937 3.112 0.228 174 HA VAL 29 HA VAL 29 5.438 2.238 -0.983 175 HB VAL 29 HB VAL 29 2.935 0.611 -0.433 176 1HG1 VAL 29 1HG1 VAL 29 5.656 -0.572 -0.667 177 2HG1 VAL 29 2HG1 VAL 29 4.842 -0.075 -2.150 178 3HG1 VAL 29 3HG1 VAL 29 4.084 -1.257 -1.081 179 1HG2 VAL 29 1HG2 VAL 29 4.685 -0.280 1.381 180 2HG2 VAL 29 2HG2 VAL 29 3.552 1.031 1.709 181 3HG2 VAL 29 3HG2 VAL 29 5.222 1.396 1.278 Start of MODEL 4 1 H ALA 1 H ALA 1 5.166 3.060 -3.349 2 HA ALA 1 HA ALA 1 2.892 3.783 -4.826 3 1HB ALA 1 1HB ALA 1 4.340 4.237 -6.482 4 2HB ALA 1 2HB ALA 1 5.138 2.669 -6.357 5 3HB ALA 1 3HB ALA 1 5.558 3.964 -5.236 6 H GLY 2 H GLY 2 1.373 2.642 -5.811 7 1HA GLY 2 2HA GLY 2 0.421 0.903 -7.033 8 2HA GLY 2 1HA GLY 2 1.887 -0.034 -6.796 9 H GLU 3 H GLU 3 1.866 0.368 -3.907 10 HA GLU 3 HA GLU 3 0.278 -1.888 -3.205 11 1HB GLU 3 2HB GLU 3 2.506 -1.153 -2.200 12 2HB GLU 3 1HB GLU 3 1.592 0.046 -1.307 13 1HG GLU 3 2HG GLU 3 1.960 -1.789 0.125 14 2HG GLU 3 1HG GLU 3 0.260 -1.804 -0.323 15 H THR 4 H THR 4 -1.853 -1.742 -3.061 16 HA THR 4 HA THR 4 -3.008 0.681 -1.894 17 HB THR 4 HB THR 4 -5.173 -0.171 -2.901 18 HG1 THR 4 HG1 THR 4 -3.431 -1.704 -4.552 19 1HG2 THR 4 1HG2 THR 4 -4.399 0.505 -5.278 20 2HG2 THR 4 2HG2 THR 4 -2.834 0.791 -4.515 21 3HG2 THR 4 3HG2 THR 4 -4.256 1.684 -3.973 22 H CYS 5 H CYS 5 -4.737 0.486 -0.413 23 HA CYS 5 HA CYS 5 -4.783 -2.100 0.999 24 1HB CYS 5 2HB CYS 5 -3.575 -0.196 2.193 25 2HB CYS 5 1HB CYS 5 -5.145 0.596 2.321 26 H VAL 6 H VAL 6 -6.526 -1.484 -1.060 27 HA VAL 6 HA VAL 6 -8.957 -0.327 -0.246 28 HB VAL 6 HB VAL 6 -8.641 -2.518 -2.301 29 1HG1 VAL 6 1HG1 VAL 6 -10.943 -1.495 -1.353 30 2HG1 VAL 6 2HG1 VAL 6 -10.737 -2.077 -3.004 31 3HG1 VAL 6 3HG1 VAL 6 -10.606 -0.354 -2.654 32 1HG2 VAL 6 1HG2 VAL 6 -8.357 0.466 -2.642 33 2HG2 VAL 6 2HG2 VAL 6 -8.374 -0.720 -3.948 34 3HG2 VAL 6 3HG2 VAL 6 -7.064 -0.726 -2.768 35 H GLY 7 H GLY 7 -7.752 -3.633 -0.082 36 1HA GLY 7 2HA GLY 7 -10.216 -4.619 1.100 37 2HA GLY 7 1HA GLY 7 -8.773 -5.547 0.747 38 H GLY 8 H GLY 8 -8.090 -2.714 2.355 39 1HA GLY 8 2HA GLY 8 -7.514 -2.184 4.524 40 2HA GLY 8 1HA GLY 8 -8.557 -3.496 5.042 41 H THR 9 H THR 9 -6.088 -4.225 2.812 42 HA THR 9 HA THR 9 -4.154 -5.003 4.822 43 HB THR 9 HB THR 9 -4.128 -7.333 3.508 44 HG1 THR 9 HG1 THR 9 -6.877 -6.557 3.540 45 1HG2 THR 9 1HG2 THR 9 -5.741 -8.166 5.367 46 2HG2 THR 9 2HG2 THR 9 -5.686 -6.494 5.925 47 3HG2 THR 9 3HG2 THR 9 -4.201 -7.440 5.827 48 H CYS 10 H CYS 10 -2.083 -5.331 3.986 49 HA CYS 10 HA CYS 10 -1.752 -4.586 1.156 50 1HB CYS 10 2HB CYS 10 0.352 -4.284 3.291 51 2HB CYS 10 1HB CYS 10 0.349 -3.594 1.681 52 H ASN 11 H ASN 11 0.305 -5.411 0.222 53 HA ASN 11 HA ASN 11 0.502 -8.285 0.689 54 1HB ASN 11 2HB ASN 11 1.905 -6.590 -1.397 55 2HB ASN 11 1HB ASN 11 1.730 -8.340 -1.402 56 1HD2 ASN 11 1HD2 ASN 11 0.483 -5.424 -2.481 57 2HD2 ASN 11 2HD2 ASN 11 -1.033 -6.012 -3.084 58 H THR 12 H THR 12 2.296 -5.329 0.864 59 HA THR 12 HA THR 12 4.864 -6.405 1.400 60 HB THR 12 HB THR 12 3.781 -3.685 2.162 61 HG1 THR 12 HG1 THR 12 3.503 -4.148 -0.089 62 1HG2 THR 12 1HG2 THR 12 6.206 -4.809 2.791 63 2HG2 THR 12 2HG2 THR 12 5.882 -3.078 2.678 64 3HG2 THR 12 3HG2 THR 12 6.565 -3.939 1.299 65 HA PRO 13 HA PRO 13 4.151 -7.652 5.622 66 1HB PRO 13 2HB PRO 13 7.071 -7.845 5.785 67 2HB PRO 13 1HB PRO 13 5.857 -9.116 5.942 68 1HG PRO 13 2HG PRO 13 7.496 -8.917 3.807 69 2HG PRO 13 1HG PRO 13 5.856 -9.574 3.694 70 1HD PRO 13 2HD PRO 13 6.883 -6.883 2.901 71 2HD PRO 13 1HD PRO 13 5.659 -7.902 2.119 72 H GLY 14 H GLY 14 3.995 -6.465 7.393 73 1HA GLY 14 2HA GLY 14 4.383 -4.853 8.987 74 2HA GLY 14 1HA GLY 14 6.006 -4.689 8.335 75 H ALA 15 H ALA 15 3.107 -4.243 6.419 76 HA ALA 15 HA ALA 15 3.876 -1.446 6.027 77 1HB ALA 15 1HB ALA 15 3.448 -1.839 3.886 78 2HB ALA 15 2HB ALA 15 1.762 -2.166 4.288 79 3HB ALA 15 3HB ALA 15 2.936 -3.482 4.275 80 H THR 16 H THR 16 2.499 0.224 6.415 81 HA THR 16 HA THR 16 0.263 -0.337 8.186 82 HB THR 16 HB THR 16 1.050 2.425 7.359 83 HG1 THR 16 HG1 THR 16 2.678 0.574 8.593 84 1HG2 THR 16 1HG2 THR 16 0.738 2.059 10.162 85 2HG2 THR 16 2HG2 THR 16 -0.593 1.235 9.350 86 3HG2 THR 16 3HG2 THR 16 -0.302 2.949 9.050 87 H CYS 17 H CYS 17 -1.842 0.417 7.770 88 HA CYS 17 HA CYS 17 -2.473 0.548 4.939 89 1HB CYS 17 2HB CYS 17 -3.726 -1.000 6.420 90 2HB CYS 17 1HB CYS 17 -4.355 0.390 7.299 91 H SER 18 H SER 18 -3.292 2.242 3.908 92 HA SER 18 HA SER 18 -4.152 4.612 5.367 93 1HB SER 18 2HB SER 18 -2.005 4.624 3.230 94 2HB SER 18 1HB SER 18 -2.730 6.063 3.944 95 HG SER 18 HG SER 18 -1.943 4.626 5.968 96 H TRP 19 H TRP 19 -5.957 3.166 4.459 97 HA TRP 19 HA TRP 19 -6.750 2.663 2.011 98 1HB TRP 19 2HB TRP 19 -8.098 2.739 4.284 99 2HB TRP 19 1HB TRP 19 -8.755 4.216 3.582 100 HD1 TRP 19 HD1 TRP 19 -8.797 0.434 3.182 101 HE1 TRP 19 HE1 TRP 19 -10.623 -0.224 1.493 102 HE3 TRP 19 HE3 TRP 19 -10.054 5.089 1.513 103 HZ2 TRP 19 HZ2 TRP 19 -12.369 1.066 -0.307 104 HZ3 TRP 19 HZ3 TRP 19 -11.817 5.297 -0.195 105 HH2 TRP 19 HH2 TRP 19 -12.950 3.324 -1.086 106 HA PRO 20 HA PRO 20 -7.504 2.459 0.459 107 1HB PRO 20 2HB PRO 20 -7.637 2.684 -2.163 108 2HB PRO 20 1HB PRO 20 -8.952 3.269 -1.143 109 1HG PRO 20 2HG PRO 20 -6.842 4.813 -2.569 110 2HG PRO 20 1HG PRO 20 -8.537 5.237 -2.274 111 1HD PRO 20 2HD PRO 20 -6.286 6.071 -0.767 112 2HD PRO 20 1HD PRO 20 -7.995 6.299 -0.343 113 H VAL 21 H VAL 21 -4.805 3.869 0.860 114 HA VAL 21 HA VAL 21 -3.308 2.086 -0.955 115 HB VAL 21 HB VAL 21 -1.418 3.720 -0.918 116 1HG1 VAL 21 1HG1 VAL 21 -3.743 3.677 -2.501 117 2HG1 VAL 21 2HG1 VAL 21 -2.145 4.278 -2.941 118 3HG1 VAL 21 3HG1 VAL 21 -3.339 5.375 -2.248 119 1HG2 VAL 21 1HG2 VAL 21 -1.483 5.594 0.269 120 2HG2 VAL 21 2HG2 VAL 21 -3.001 5.036 0.971 121 3HG2 VAL 21 3HG2 VAL 21 -3.018 6.065 -0.460 122 H CYS 22 H CYS 22 -0.870 2.052 -0.126 123 HA CYS 22 HA CYS 22 -1.016 1.403 2.748 124 1HB CYS 22 2HB CYS 22 0.461 0.034 0.498 125 2HB CYS 22 1HB CYS 22 0.794 -0.290 2.195 126 H THR 23 H THR 23 0.785 1.846 4.045 127 HA THR 23 HA THR 23 2.874 3.516 2.823 128 HB THR 23 HB THR 23 2.847 4.851 5.015 129 HG1 THR 23 HG1 THR 23 0.148 4.461 5.320 130 1HG2 THR 23 1HG2 THR 23 0.585 6.033 4.154 131 2HG2 THR 23 2HG2 THR 23 0.954 5.040 2.744 132 3HG2 THR 23 3HG2 THR 23 2.137 6.206 3.337 133 H ARG 24 H ARG 24 4.846 3.616 4.055 134 HA ARG 24 HA ARG 24 5.178 1.733 6.231 135 1HB ARG 24 2HB ARG 24 5.511 0.353 4.188 136 2HB ARG 24 1HB ARG 24 6.789 1.450 3.682 137 1HG ARG 24 2HG ARG 24 8.150 0.832 5.551 138 2HG ARG 24 1HG ARG 24 6.840 -0.122 6.246 139 1HD ARG 24 2HD ARG 24 8.483 -1.554 5.157 140 2HD ARG 24 1HD ARG 24 6.924 -1.642 4.339 141 HE ARG 24 HE ARG 24 8.437 0.305 3.046 142 1HH1 ARG 24 1HH1 ARG 24 8.558 -3.138 3.619 143 2HH1 ARG 24 2HH1 ARG 24 9.371 -3.496 2.131 144 1HH2 ARG 24 1HH2 ARG 24 9.519 -0.153 1.069 145 2HH2 ARG 24 2HH2 ARG 24 9.922 -1.790 0.677 146 H ASN 25 H ASN 25 6.587 2.531 7.652 147 HA ASN 25 HA ASN 25 8.023 3.957 8.673 148 1HB ASN 25 2HB ASN 25 9.570 2.806 6.994 149 2HB ASN 25 1HB ASN 25 9.420 4.261 6.013 150 1HD2 ASN 25 1HD2 ASN 25 11.005 5.653 6.278 151 2HD2 ASN 25 2HD2 ASN 25 11.928 5.887 7.717 152 H GLY 26 H GLY 26 5.632 5.037 7.527 153 1HA GLY 26 2HA GLY 26 4.674 7.128 7.496 154 2HA GLY 26 1HA GLY 26 6.265 7.816 7.762 155 H LEU 27 H LEU 27 6.020 5.714 5.043 156 HA LEU 27 HA LEU 27 5.506 7.997 3.278 157 1HB LEU 27 2HB LEU 27 7.339 7.347 1.787 158 2HB LEU 27 1HB LEU 27 7.914 7.832 3.366 159 HG LEU 27 HG LEU 27 7.831 5.182 3.755 160 1HD1 LEU 27 1HD1 LEU 27 7.103 4.417 1.678 161 2HD1 LEU 27 2HD1 LEU 27 8.852 4.204 1.617 162 3HD1 LEU 27 3HD1 LEU 27 8.101 5.573 0.796 163 1HD2 LEU 27 1HD2 LEU 27 10.056 6.676 2.376 164 2HD2 LEU 27 2HD2 LEU 27 10.223 5.163 3.267 165 3HD2 LEU 27 3HD2 LEU 27 9.752 6.637 4.113 166 HA PRO 28 HA PRO 28 2.685 5.178 1.470 167 1HB PRO 28 2HB PRO 28 2.882 6.718 -1.000 168 2HB PRO 28 1HB PRO 28 1.504 6.501 0.077 169 1HG PRO 28 2HG PRO 28 2.863 8.846 -0.134 170 2HG PRO 28 1HG PRO 28 2.028 8.332 1.341 171 1HD PRO 28 2HD PRO 28 4.938 8.326 0.712 172 2HD PRO 28 1HD PRO 28 4.113 8.582 2.260 173 H VAL 29 H VAL 29 2.721 3.416 0.254 174 HA VAL 29 HA VAL 29 5.174 2.833 -1.223 175 HB VAL 29 HB VAL 29 2.949 0.930 -0.400 176 1HG1 VAL 29 1HG1 VAL 29 4.522 -0.830 -0.951 177 2HG1 VAL 29 2HG1 VAL 29 5.755 0.358 -1.373 178 3HG1 VAL 29 3HG1 VAL 29 4.298 0.215 -2.356 179 1HG2 VAL 29 1HG2 VAL 29 4.261 2.046 1.470 180 2HG2 VAL 29 2HG2 VAL 29 5.668 1.168 0.869 181 3HG2 VAL 29 3HG2 VAL 29 4.256 0.283 1.448 Start of MODEL 5 1 H ALA 1 H ALA 1 5.858 1.794 -3.097 2 HA ALA 1 HA ALA 1 4.159 2.938 -5.000 3 1HB ALA 1 1HB ALA 1 6.759 2.337 -4.976 4 2HB ALA 1 2HB ALA 1 5.859 2.647 -6.461 5 3HB ALA 1 3HB ALA 1 6.167 0.988 -5.947 6 H GLY 2 H GLY 2 2.381 2.209 -5.867 7 1HA GLY 2 2HA GLY 2 0.837 0.831 -6.844 8 2HA GLY 2 1HA GLY 2 2.124 -0.345 -7.049 9 H GLU 3 H GLU 3 1.363 0.795 -3.852 10 HA GLU 3 HA GLU 3 0.125 -1.821 -3.305 11 1HB GLU 3 2HB GLU 3 2.322 -1.347 -2.187 12 2HB GLU 3 1HB GLU 3 1.548 -0.021 -1.343 13 1HG GLU 3 2HG GLU 3 1.597 -1.822 0.153 14 2HG GLU 3 1HG GLU 3 -0.066 -1.692 -0.410 15 H THR 4 H THR 4 -1.978 -1.687 -3.029 16 HA THR 4 HA THR 4 -3.096 0.772 -1.881 17 HB THR 4 HB THR 4 -5.267 0.039 -2.833 18 HG1 THR 4 HG1 THR 4 -3.936 -2.229 -3.239 19 1HG2 THR 4 1HG2 THR 4 -3.320 0.120 -5.103 20 2HG2 THR 4 2HG2 THR 4 -3.449 1.504 -4.019 21 3HG2 THR 4 3HG2 THR 4 -4.863 0.954 -4.918 22 H CYS 5 H CYS 5 -4.758 0.609 -0.329 23 HA CYS 5 HA CYS 5 -4.791 -1.974 1.090 24 1HB CYS 5 2HB CYS 5 -3.564 -0.067 2.257 25 2HB CYS 5 1HB CYS 5 -5.131 0.726 2.411 26 H VAL 6 H VAL 6 -6.581 -1.382 -0.936 27 HA VAL 6 HA VAL 6 -8.995 -0.223 -0.074 28 HB VAL 6 HB VAL 6 -8.720 -2.425 -2.121 29 1HG1 VAL 6 1HG1 VAL 6 -10.671 -0.741 -2.997 30 2HG1 VAL 6 2HG1 VAL 6 -10.911 -0.691 -1.250 31 3HG1 VAL 6 3HG1 VAL 6 -10.953 -2.235 -2.103 32 1HG2 VAL 6 1HG2 VAL 6 -8.810 0.425 -2.931 33 2HG2 VAL 6 2HG2 VAL 6 -8.013 -0.948 -3.700 34 3HG2 VAL 6 3HG2 VAL 6 -7.289 -0.190 -2.281 35 H GLY 7 H GLY 7 -7.780 -3.525 0.076 36 1HA GLY 7 2HA GLY 7 -10.212 -4.497 1.344 37 2HA GLY 7 1HA GLY 7 -8.796 -5.438 0.924 38 H GLY 8 H GLY 8 -8.034 -2.612 2.522 39 1HA GLY 8 2HA GLY 8 -7.333 -2.108 4.658 40 2HA GLY 8 1HA GLY 8 -8.387 -3.391 5.219 41 H THR 9 H THR 9 -5.974 -4.093 2.898 42 HA THR 9 HA THR 9 -4.032 -4.999 4.849 43 HB THR 9 HB THR 9 -4.070 -7.261 3.410 44 HG1 THR 9 HG1 THR 9 -6.810 -6.468 3.567 45 1HG2 THR 9 1HG2 THR 9 -5.375 -6.460 5.949 46 2HG2 THR 9 2HG2 THR 9 -4.127 -7.669 5.648 47 3HG2 THR 9 3HG2 THR 9 -5.814 -8.034 5.285 48 H CYS 10 H CYS 10 -1.975 -5.345 3.971 49 HA CYS 10 HA CYS 10 -1.661 -4.555 1.149 50 1HB CYS 10 2HB CYS 10 0.469 -4.144 3.227 51 2HB CYS 10 1HB CYS 10 0.333 -3.407 1.645 52 H ASN 11 H ASN 11 0.350 -5.354 0.181 53 HA ASN 11 HA ASN 11 0.713 -8.182 0.791 54 1HB ASN 11 2HB ASN 11 1.796 -6.476 -1.473 55 2HB ASN 11 1HB ASN 11 1.952 -8.225 -1.349 56 1HD2 ASN 11 1HD2 ASN 11 0.042 -5.634 -2.401 57 2HD2 ASN 11 2HD2 ASN 11 -1.336 -6.556 -2.905 58 H THR 12 H THR 12 2.392 -5.147 0.747 59 HA THR 12 HA THR 12 5.021 -6.097 1.203 60 HB THR 12 HB THR 12 3.873 -3.399 1.945 61 HG1 THR 12 HG1 THR 12 3.479 -3.955 -0.277 62 1HG2 THR 12 1HG2 THR 12 6.016 -2.610 2.102 63 2HG2 THR 12 2HG2 THR 12 6.652 -3.796 0.961 64 3HG2 THR 12 3HG2 THR 12 6.290 -4.274 2.620 65 HA PRO 13 HA PRO 13 4.552 -7.263 5.480 66 1HB PRO 13 2HB PRO 13 7.486 -7.292 5.512 67 2HB PRO 13 1HB PRO 13 6.351 -8.617 5.773 68 1HG PRO 13 2HG PRO 13 7.864 -8.422 3.553 69 2HG PRO 13 1HG PRO 13 6.247 -9.144 3.541 70 1HD PRO 13 2HD PRO 13 7.125 -6.438 2.626 71 2HD PRO 13 1HD PRO 13 5.913 -7.530 1.926 72 H GLY 14 H GLY 14 4.411 -6.060 7.242 73 1HA GLY 14 2HA GLY 14 4.791 -4.414 8.802 74 2HA GLY 14 1HA GLY 14 6.362 -4.156 8.059 75 H ALA 15 H ALA 15 3.423 -3.918 6.195 76 HA ALA 15 HA ALA 15 3.962 -1.066 5.831 77 1HB ALA 15 1HB ALA 15 3.240 -3.115 4.050 78 2HB ALA 15 2HB ALA 15 3.427 -1.396 3.701 79 3HB ALA 15 3HB ALA 15 1.847 -2.038 4.156 80 H THR 16 H THR 16 2.555 0.486 6.422 81 HA THR 16 HA THR 16 0.338 -0.300 8.127 82 HB THR 16 HB THR 16 1.050 2.544 7.530 83 HG1 THR 16 HG1 THR 16 2.633 0.631 8.821 84 1HG2 THR 16 1HG2 THR 16 -0.751 2.447 8.990 85 2HG2 THR 16 2HG2 THR 16 0.615 2.575 10.099 86 3HG2 THR 16 3HG2 THR 16 -0.141 1.009 9.806 87 H CYS 17 H CYS 17 -1.785 0.436 7.780 88 HA CYS 17 HA CYS 17 -2.469 0.655 4.982 89 1HB CYS 17 2HB CYS 17 -3.709 -0.865 6.518 90 2HB CYS 17 1HB CYS 17 -4.316 0.552 7.371 91 H SER 18 H SER 18 -3.285 2.355 3.968 92 HA SER 18 HA SER 18 -4.088 4.743 5.428 93 1HB SER 18 2HB SER 18 -2.022 4.765 3.211 94 2HB SER 18 1HB SER 18 -2.674 6.185 4.027 95 HG SER 18 HG SER 18 -1.808 4.663 5.944 96 H TRP 19 H TRP 19 -5.907 3.276 4.551 97 HA TRP 19 HA TRP 19 -6.741 2.760 2.125 98 1HB TRP 19 2HB TRP 19 -8.054 2.849 4.411 99 2HB TRP 19 1HB TRP 19 -8.717 4.328 3.719 100 HD1 TRP 19 HD1 TRP 19 -8.785 0.548 3.328 101 HE1 TRP 19 HE1 TRP 19 -10.641 -0.105 1.669 102 HE3 TRP 19 HE3 TRP 19 -10.045 5.206 1.663 103 HZ2 TRP 19 HZ2 TRP 19 -12.408 1.187 -0.108 104 HZ3 TRP 19 HZ3 TRP 19 -11.833 5.416 -0.019 105 HH2 TRP 19 HH2 TRP 19 -12.989 3.445 -0.884 106 HA PRO 20 HA PRO 20 -7.485 2.539 0.577 107 1HB PRO 20 2HB PRO 20 -7.674 2.749 -2.041 108 2HB PRO 20 1HB PRO 20 -8.974 3.325 -0.999 109 1HG PRO 20 2HG PRO 20 -6.920 4.884 -2.484 110 2HG PRO 20 1HG PRO 20 -8.608 5.296 -2.138 111 1HD PRO 20 2HD PRO 20 -6.310 6.139 -0.699 112 2HD PRO 20 1HD PRO 20 -8.008 6.381 -0.240 113 H VAL 21 H VAL 21 -4.799 3.956 0.940 114 HA VAL 21 HA VAL 21 -3.308 2.208 -0.917 115 HB VAL 21 HB VAL 21 -1.436 3.892 -0.848 116 1HG1 VAL 21 1HG1 VAL 21 -3.980 4.832 -2.166 117 2HG1 VAL 21 2HG1 VAL 21 -2.940 3.551 -2.788 118 3HG1 VAL 21 3HG1 VAL 21 -2.329 5.201 -2.664 119 1HG2 VAL 21 1HG2 VAL 21 -2.751 6.280 -0.559 120 2HG2 VAL 21 2HG2 VAL 21 -1.666 5.551 0.626 121 3HG2 VAL 21 3HG2 VAL 21 -3.408 5.309 0.759 122 H CYS 22 H CYS 22 -0.889 2.087 -0.138 123 HA CYS 22 HA CYS 22 -0.970 1.534 2.761 124 1HB CYS 22 2HB CYS 22 0.368 0.005 0.528 125 2HB CYS 22 1HB CYS 22 0.735 -0.264 2.230 126 H THR 23 H THR 23 0.734 2.141 4.017 127 HA THR 23 HA THR 23 2.993 3.472 2.682 128 HB THR 23 HB THR 23 3.004 5.146 4.556 129 HG1 THR 23 HG1 THR 23 0.324 4.796 5.106 130 1HG2 THR 23 1HG2 THR 23 2.054 6.448 3.019 131 2HG2 THR 23 2HG2 THR 23 0.467 5.911 3.572 132 3HG2 THR 23 3HG2 THR 23 1.286 5.048 2.270 133 H ARG 24 H ARG 24 4.951 2.890 3.473 134 HA ARG 24 HA ARG 24 4.969 1.087 5.782 135 1HB ARG 24 2HB ARG 24 5.994 0.271 3.679 136 2HB ARG 24 1HB ARG 24 7.120 1.621 3.719 137 1HG ARG 24 2HG ARG 24 8.005 0.768 5.866 138 2HG ARG 24 1HG ARG 24 6.939 -0.631 5.709 139 1HD ARG 24 2HD ARG 24 9.213 -1.129 4.939 140 2HD ARG 24 1HD ARG 24 8.034 -1.263 3.635 141 HE ARG 24 HE ARG 24 9.169 0.364 2.528 142 1HH1 ARG 24 1HH1 ARG 24 9.993 0.620 5.921 143 2HH1 ARG 24 2HH1 ARG 24 11.095 1.935 5.690 144 1HH2 ARG 24 1HH2 ARG 24 10.626 2.102 2.214 145 2HH2 ARG 24 2HH2 ARG 24 11.454 2.782 3.574 146 H ASN 25 H ASN 25 5.185 2.182 7.605 147 HA ASN 25 HA ASN 25 5.972 3.585 9.206 148 1HB ASN 25 2HB ASN 25 8.163 2.451 8.489 149 2HB ASN 25 1HB ASN 25 8.486 3.912 7.561 150 1HD2 ASN 25 1HD2 ASN 25 9.639 5.401 8.564 151 2HD2 ASN 25 2HD2 ASN 25 9.773 5.601 10.273 152 H GLY 26 H GLY 26 4.370 4.610 7.150 153 1HA GLY 26 2HA GLY 26 3.528 6.766 6.819 154 2HA GLY 26 1HA GLY 26 5.059 7.425 7.370 155 H LEU 27 H LEU 27 6.192 5.308 5.276 156 HA LEU 27 HA LEU 27 6.172 7.264 3.098 157 1HB LEU 27 2HB LEU 27 7.922 4.841 3.524 158 2HB LEU 27 1HB LEU 27 8.089 5.997 2.217 159 HG LEU 27 HG LEU 27 8.461 6.617 5.150 160 1HD1 LEU 27 1HD1 LEU 27 10.351 5.937 2.939 161 2HD1 LEU 27 2HD1 LEU 27 10.336 5.382 4.612 162 3HD1 LEU 27 3HD1 LEU 27 10.856 7.024 4.232 163 1HD2 LEU 27 1HD2 LEU 27 8.806 8.305 2.676 164 2HD2 LEU 27 2HD2 LEU 27 9.388 8.753 4.279 165 3HD2 LEU 27 3HD2 LEU 27 7.658 8.560 3.991 166 HA PRO 28 HA PRO 28 2.977 4.795 1.158 167 1HB PRO 28 2HB PRO 28 3.525 6.046 -1.327 168 2HB PRO 28 1HB PRO 28 2.202 6.368 -0.210 169 1HG PRO 28 2HG PRO 28 4.722 7.837 -0.617 170 2HG PRO 28 1HG PRO 28 3.194 8.402 0.075 171 1HD PRO 28 2HD PRO 28 5.438 7.938 1.552 172 2HD PRO 28 1HD PRO 28 3.794 7.790 2.202 173 H VAL 29 H VAL 29 2.974 2.981 0.100 174 HA VAL 29 HA VAL 29 5.503 2.010 -0.992 175 HB VAL 29 HB VAL 29 2.941 0.465 -0.478 176 1HG1 VAL 29 1HG1 VAL 29 4.107 -0.825 -2.009 177 2HG1 VAL 29 2HG1 VAL 29 4.729 -1.439 -0.476 178 3HG1 VAL 29 3HG1 VAL 29 5.682 -0.292 -1.419 179 1HG2 VAL 29 1HG2 VAL 29 4.278 -0.460 1.459 180 2HG2 VAL 29 2HG2 VAL 29 3.718 1.204 1.630 181 3HG2 VAL 29 3HG2 VAL 29 5.400 0.878 1.210 Start of MODEL 6 1 H ALA 1 H ALA 1 4.924 3.271 -3.468 2 HA ALA 1 HA ALA 1 2.520 3.912 -4.831 3 1HB ALA 1 1HB ALA 1 5.365 3.552 -5.578 4 2HB ALA 1 2HB ALA 1 4.272 4.902 -5.884 5 3HB ALA 1 3HB ALA 1 4.165 3.442 -6.865 6 H GLY 2 H GLY 2 1.086 2.651 -5.812 7 1HA GLY 2 2HA GLY 2 0.305 0.835 -7.064 8 2HA GLY 2 1HA GLY 2 1.825 0.005 -6.766 9 H GLU 3 H GLU 3 1.791 0.389 -3.928 10 HA GLU 3 HA GLU 3 0.254 -1.892 -3.183 11 1HB GLU 3 2HB GLU 3 2.481 -1.077 -2.204 12 2HB GLU 3 1HB GLU 3 1.529 0.086 -1.301 13 1HG GLU 3 2HG GLU 3 1.885 -1.674 0.172 14 2HG GLU 3 1HG GLU 3 0.235 -1.894 -0.401 15 H THR 4 H THR 4 -1.893 -1.759 -3.040 16 HA THR 4 HA THR 4 -3.054 0.668 -1.879 17 HB THR 4 HB THR 4 -5.218 -0.184 -2.876 18 HG1 THR 4 HG1 THR 4 -3.480 -1.753 -4.502 19 1HG2 THR 4 1HG2 THR 4 -4.850 0.948 -4.873 20 2HG2 THR 4 2HG2 THR 4 -3.203 0.340 -5.032 21 3HG2 THR 4 3HG2 THR 4 -3.572 1.583 -3.837 22 H CYS 5 H CYS 5 -4.763 0.486 -0.388 23 HA CYS 5 HA CYS 5 -4.810 -2.092 1.039 24 1HB CYS 5 2HB CYS 5 -3.612 -0.175 2.219 25 2HB CYS 5 1HB CYS 5 -5.180 0.617 2.335 26 H VAL 6 H VAL 6 -6.549 -1.466 -1.036 27 HA VAL 6 HA VAL 6 -8.992 -0.338 -0.208 28 HB VAL 6 HB VAL 6 -8.656 -2.489 -2.300 29 1HG1 VAL 6 1HG1 VAL 6 -10.666 -1.647 -3.269 30 2HG1 VAL 6 2HG1 VAL 6 -10.708 -0.292 -2.140 31 3HG1 VAL 6 3HG1 VAL 6 -10.976 -1.935 -1.557 32 1HG2 VAL 6 1HG2 VAL 6 -8.797 0.275 -3.227 33 2HG2 VAL 6 2HG2 VAL 6 -7.724 -1.033 -3.723 34 3HG2 VAL 6 3HG2 VAL 6 -7.346 -0.079 -2.289 35 H GLY 7 H GLY 7 -7.759 -3.636 -0.113 36 1HA GLY 7 2HA GLY 7 -10.209 -4.688 1.013 37 2HA GLY 7 1HA GLY 7 -8.731 -5.579 0.706 38 H GLY 8 H GLY 8 -7.937 -2.840 2.289 39 1HA GLY 8 2HA GLY 8 -7.565 -2.261 4.504 40 2HA GLY 8 1HA GLY 8 -8.553 -3.628 4.980 41 H THR 9 H THR 9 -6.096 -4.424 2.809 42 HA THR 9 HA THR 9 -4.114 -5.000 4.860 43 HB THR 9 HB THR 9 -3.897 -7.374 3.966 44 HG1 THR 9 HG1 THR 9 -5.450 -6.819 2.178 45 1HG2 THR 9 1HG2 THR 9 -4.707 -7.607 6.053 46 2HG2 THR 9 2HG2 THR 9 -6.236 -7.955 5.246 47 3HG2 THR 9 3HG2 THR 9 -5.901 -6.328 5.838 48 H CYS 10 H CYS 10 -2.048 -5.124 4.068 49 HA CYS 10 HA CYS 10 -1.717 -4.600 1.191 50 1HB CYS 10 2HB CYS 10 0.387 -4.143 3.295 51 2HB CYS 10 1HB CYS 10 0.322 -3.493 1.668 52 H ASN 11 H ASN 11 0.380 -5.433 0.312 53 HA ASN 11 HA ASN 11 0.638 -8.262 1.006 54 1HB ASN 11 2HB ASN 11 0.341 -7.751 -1.353 55 2HB ASN 11 1HB ASN 11 1.692 -6.622 -1.316 56 1HD2 ASN 11 1HD2 ASN 11 3.501 -7.366 -2.113 57 2HD2 ASN 11 2HD2 ASN 11 3.989 -9.022 -2.173 58 H THR 12 H THR 12 2.369 -5.256 0.954 59 HA THR 12 HA THR 12 4.977 -6.206 1.458 60 HB THR 12 HB THR 12 3.774 -3.555 2.285 61 HG1 THR 12 HG1 THR 12 3.528 -3.998 0.025 62 1HG2 THR 12 1HG2 THR 12 5.864 -2.792 2.715 63 2HG2 THR 12 2HG2 THR 12 6.596 -3.770 1.442 64 3HG2 THR 12 3HG2 THR 12 6.201 -4.500 2.998 65 HA PRO 13 HA PRO 13 4.437 -7.654 5.637 66 1HB PRO 13 2HB PRO 13 7.107 -7.805 6.257 67 2HB PRO 13 1HB PRO 13 6.220 -9.047 5.367 68 1HG PRO 13 2HG PRO 13 7.994 -6.878 4.337 69 2HG PRO 13 1HG PRO 13 7.846 -8.561 3.808 70 1HD PRO 13 2HD PRO 13 6.717 -6.528 2.445 71 2HD PRO 13 1HD PRO 13 5.965 -8.135 2.538 72 H GLY 14 H GLY 14 3.999 -6.535 7.362 73 1HA GLY 14 2HA GLY 14 4.049 -4.960 9.029 74 2HA GLY 14 1HA GLY 14 5.735 -4.687 8.614 75 H ALA 15 H ALA 15 3.095 -4.281 6.343 76 HA ALA 15 HA ALA 15 3.851 -1.491 6.022 77 1HB ALA 15 1HB ALA 15 3.236 -1.737 3.898 78 2HB ALA 15 2HB ALA 15 1.653 -2.366 4.355 79 3HB ALA 15 3HB ALA 15 3.036 -3.455 4.244 80 H THR 16 H THR 16 2.504 0.233 6.335 81 HA THR 16 HA THR 16 0.286 -0.216 8.164 82 HB THR 16 HB THR 16 1.101 2.497 7.220 83 HG1 THR 16 HG1 THR 16 2.675 0.680 8.655 84 1HG2 THR 16 1HG2 THR 16 -0.644 1.554 9.135 85 2HG2 THR 16 2HG2 THR 16 -0.004 3.195 9.042 86 3HG2 THR 16 3HG2 THR 16 0.781 1.999 10.074 87 H CYS 17 H CYS 17 -1.810 0.524 7.743 88 HA CYS 17 HA CYS 17 -2.474 0.601 4.916 89 1HB CYS 17 2HB CYS 17 -3.708 -0.934 6.423 90 2HB CYS 17 1HB CYS 17 -4.322 0.461 7.305 91 H SER 18 H SER 18 -3.300 2.285 3.871 92 HA SER 18 HA SER 18 -4.147 4.668 5.318 93 1HB SER 18 2HB SER 18 -2.043 4.677 3.138 94 2HB SER 18 1HB SER 18 -2.735 6.110 3.896 95 HG SER 18 HG SER 18 -1.914 4.669 5.885 96 H TRP 19 H TRP 19 -5.956 3.200 4.441 97 HA TRP 19 HA TRP 19 -6.778 2.681 2.007 98 1HB TRP 19 2HB TRP 19 -8.098 2.762 4.295 99 2HB TRP 19 1HB TRP 19 -8.773 4.230 3.593 100 HD1 TRP 19 HD1 TRP 19 -8.793 0.447 3.216 101 HE1 TRP 19 HE1 TRP 19 -10.633 -0.235 1.552 102 HE3 TRP 19 HE3 TRP 19 -10.107 5.083 1.534 103 HZ2 TRP 19 HZ2 TRP 19 -12.410 1.030 -0.235 104 HZ3 TRP 19 HZ3 TRP 19 -11.891 5.266 -0.154 105 HH2 TRP 19 HH2 TRP 19 -13.018 3.279 -1.020 106 HA PRO 20 HA PRO 20 -7.554 2.464 0.468 107 1HB PRO 20 2HB PRO 20 -7.711 2.671 -2.157 108 2HB PRO 20 1HB PRO 20 -9.021 3.250 -1.126 109 1HG PRO 20 2HG PRO 20 -6.942 4.806 -2.583 110 2HG PRO 20 1HG PRO 20 -8.636 5.217 -2.268 111 1HD PRO 20 2HD PRO 20 -6.372 6.075 -0.796 112 2HD PRO 20 1HD PRO 20 -8.076 6.294 -0.351 113 H VAL 21 H VAL 21 -4.855 3.924 0.807 114 HA VAL 21 HA VAL 21 -3.370 2.129 -1.006 115 HB VAL 21 HB VAL 21 -1.481 3.766 -0.973 116 1HG1 VAL 21 1HG1 VAL 21 -2.584 3.732 -2.997 117 2HG1 VAL 21 2HG1 VAL 21 -2.759 5.424 -2.534 118 3HG1 VAL 21 3HG1 VAL 21 -4.101 4.302 -2.302 119 1HG2 VAL 21 1HG2 VAL 21 -3.506 5.813 -0.121 120 2HG2 VAL 21 2HG2 VAL 21 -1.758 5.989 -0.280 121 3HG2 VAL 21 3HG2 VAL 21 -2.431 5.022 1.032 122 H CYS 22 H CYS 22 -0.920 2.124 -0.179 123 HA CYS 22 HA CYS 22 -1.054 1.465 2.691 124 1HB CYS 22 2HB CYS 22 0.375 0.075 0.430 125 2HB CYS 22 1HB CYS 22 0.745 -0.240 2.120 126 H THR 23 H THR 23 0.790 1.833 3.956 127 HA THR 23 HA THR 23 2.852 3.534 2.732 128 HB THR 23 HB THR 23 2.886 4.750 5.008 129 HG1 THR 23 HG1 THR 23 0.174 4.384 5.269 130 1HG2 THR 23 1HG2 THR 23 1.283 5.152 2.642 131 2HG2 THR 23 2HG2 THR 23 2.119 6.338 3.643 132 3HG2 THR 23 3HG2 THR 23 0.483 5.827 4.061 133 H ARG 24 H ARG 24 4.888 3.510 3.817 134 HA ARG 24 HA ARG 24 5.286 1.421 5.821 135 1HB ARG 24 2HB ARG 24 5.647 0.512 3.458 136 2HB ARG 24 1HB ARG 24 7.026 1.593 3.359 137 1HG ARG 24 2HG ARG 24 7.724 -0.650 3.937 138 2HG ARG 24 1HG ARG 24 8.054 0.469 5.263 139 1HD ARG 24 2HD ARG 24 6.320 -0.365 6.564 140 2HD ARG 24 1HD ARG 24 5.500 -1.087 5.182 141 HE ARG 24 HE ARG 24 6.677 -2.980 5.554 142 1HH1 ARG 24 1HH1 ARG 24 8.483 -0.355 7.019 143 2HH1 ARG 24 2HH1 ARG 24 9.682 -1.396 7.704 144 1HH2 ARG 24 1HH2 ARG 24 8.235 -4.349 6.462 145 2HH2 ARG 24 2HH2 ARG 24 9.545 -3.682 7.383 146 H ASN 25 H ASN 25 6.495 2.216 7.398 147 HA ASN 25 HA ASN 25 7.853 3.568 8.616 148 1HB ASN 25 2HB ASN 25 9.502 2.507 6.953 149 2HB ASN 25 1HB ASN 25 9.454 4.049 6.105 150 1HD2 ASN 25 1HD2 ASN 25 11.010 5.396 6.634 151 2HD2 ASN 25 2HD2 ASN 25 11.829 5.463 8.152 152 H GLY 26 H GLY 26 5.562 4.763 7.536 153 1HA GLY 26 2HA GLY 26 4.620 6.858 7.496 154 2HA GLY 26 1HA GLY 26 6.201 7.516 7.879 155 H LEU 27 H LEU 27 6.085 5.515 5.095 156 HA LEU 27 HA LEU 27 5.893 7.890 3.357 157 1HB LEU 27 2HB LEU 27 7.815 5.571 3.090 158 2HB LEU 27 1HB LEU 27 7.614 6.847 1.906 159 HG LEU 27 HG LEU 27 8.588 7.265 4.735 160 1HD1 LEU 27 1HD1 LEU 27 10.416 6.257 3.843 161 2HD1 LEU 27 2HD1 LEU 27 10.693 7.891 3.240 162 3HD1 LEU 27 3HD1 LEU 27 9.977 6.672 2.187 163 1HD2 LEU 27 1HD2 LEU 27 7.441 9.210 3.788 164 2HD2 LEU 27 2HD2 LEU 27 8.491 9.140 2.373 165 3HD2 LEU 27 3HD2 LEU 27 9.173 9.500 3.959 166 HA PRO 28 HA PRO 28 2.705 5.457 1.476 167 1HB PRO 28 2HB PRO 28 3.078 7.085 -0.918 168 2HB PRO 28 1HB PRO 28 1.666 6.935 0.126 169 1HG PRO 28 2HG PRO 28 3.216 9.165 0.061 170 2HG PRO 28 1HG PRO 28 2.330 8.641 1.502 171 1HD PRO 28 2HD PRO 28 5.235 8.422 0.878 172 2HD PRO 28 1HD PRO 28 4.427 8.669 2.439 173 H VAL 29 H VAL 29 2.620 3.731 0.202 174 HA VAL 29 HA VAL 29 5.024 3.081 -1.348 175 HB VAL 29 HB VAL 29 2.830 1.187 -0.431 176 1HG1 VAL 29 1HG1 VAL 29 4.220 -0.568 -1.154 177 2HG1 VAL 29 2HG1 VAL 29 5.623 0.488 -1.314 178 3HG1 VAL 29 3HG1 VAL 29 4.289 0.613 -2.461 179 1HG2 VAL 29 1HG2 VAL 29 3.754 1.666 1.590 180 2HG2 VAL 29 2HG2 VAL 29 5.292 2.178 0.897 181 3HG2 VAL 29 3HG2 VAL 29 4.923 0.461 1.047 Start of MODEL 7 1 H ALA 1 H ALA 1 5.189 2.828 -3.313 2 HA ALA 1 HA ALA 1 2.926 3.495 -4.839 3 1HB ALA 1 1HB ALA 1 5.127 4.195 -5.517 4 2HB ALA 1 2HB ALA 1 4.415 3.202 -6.789 5 3HB ALA 1 3HB ALA 1 5.638 2.519 -5.717 6 H GLY 2 H GLY 2 1.445 2.315 -5.846 7 1HA GLY 2 2HA GLY 2 0.599 0.511 -7.078 8 2HA GLY 2 1HA GLY 2 2.002 -0.437 -6.611 9 H GLU 3 H GLU 3 1.733 0.134 -3.783 10 HA GLU 3 HA GLU 3 -0.042 -1.986 -3.117 11 1HB GLU 3 2HB GLU 3 1.583 -0.067 -1.477 12 2HB GLU 3 1HB GLU 3 0.485 -1.227 -0.740 13 1HG GLU 3 2HG GLU 3 2.577 -2.089 -2.658 14 2HG GLU 3 1HG GLU 3 2.948 -1.845 -0.956 15 H THR 4 H THR 4 -2.121 -1.891 -2.807 16 HA THR 4 HA THR 4 -3.274 0.654 -1.925 17 HB THR 4 HB THR 4 -5.435 -0.186 -2.891 18 HG1 THR 4 HG1 THR 4 -3.749 -1.922 -4.400 19 1HG2 THR 4 1HG2 THR 4 -4.721 0.336 -5.289 20 2HG2 THR 4 2HG2 THR 4 -3.086 0.492 -4.648 21 3HG2 THR 4 3HG2 THR 4 -4.366 1.556 -4.067 22 H CYS 5 H CYS 5 -4.870 0.568 -0.358 23 HA CYS 5 HA CYS 5 -4.969 -1.987 1.104 24 1HB CYS 5 2HB CYS 5 -3.682 -0.094 2.220 25 2HB CYS 5 1HB CYS 5 -5.224 0.742 2.379 26 H VAL 6 H VAL 6 -6.745 -1.375 -0.924 27 HA VAL 6 HA VAL 6 -9.148 -0.190 -0.030 28 HB VAL 6 HB VAL 6 -8.886 -2.341 -2.136 29 1HG1 VAL 6 1HG1 VAL 6 -11.184 -1.695 -1.261 30 2HG1 VAL 6 2HG1 VAL 6 -10.936 -1.589 -3.004 31 3HG1 VAL 6 3HG1 VAL 6 -10.911 -0.126 -2.020 32 1HG2 VAL 6 1HG2 VAL 6 -7.330 -0.446 -2.513 33 2HG2 VAL 6 2HG2 VAL 6 -8.715 0.645 -2.518 34 3HG2 VAL 6 3HG2 VAL 6 -8.566 -0.596 -3.763 35 H GLY 7 H GLY 7 -7.939 -3.495 0.010 36 1HA GLY 7 2HA GLY 7 -10.352 -4.474 1.326 37 2HA GLY 7 1HA GLY 7 -8.989 -5.432 0.783 38 H GLY 8 H GLY 8 -8.045 -2.712 2.453 39 1HA GLY 8 2HA GLY 8 -7.182 -2.329 4.553 40 2HA GLY 8 1HA GLY 8 -8.282 -3.563 5.132 41 H THR 9 H THR 9 -5.908 -4.164 2.700 42 HA THR 9 HA THR 9 -4.042 -5.376 4.558 43 HB THR 9 HB THR 9 -4.164 -7.440 2.830 44 HG1 THR 9 HG1 THR 9 -6.873 -6.595 3.157 45 1HG2 THR 9 1HG2 THR 9 -4.167 -7.759 5.200 46 2HG2 THR 9 2HG2 THR 9 -5.568 -8.610 4.550 47 3HG2 THR 9 3HG2 THR 9 -5.776 -7.052 5.350 48 H CYS 10 H CYS 10 -1.987 -5.732 3.670 49 HA CYS 10 HA CYS 10 -1.569 -4.716 0.936 50 1HB CYS 10 2HB CYS 10 0.381 -4.320 3.199 51 2HB CYS 10 1HB CYS 10 0.438 -3.608 1.600 52 H ASN 11 H ASN 11 0.596 -5.361 0.100 53 HA ASN 11 HA ASN 11 0.973 -8.221 0.551 54 1HB ASN 11 2HB ASN 11 2.121 -6.342 -1.534 55 2HB ASN 11 1HB ASN 11 2.416 -8.077 -1.477 56 1HD2 ASN 11 1HD2 ASN 11 0.400 -5.608 -2.586 57 2HD2 ASN 11 2HD2 ASN 11 -0.870 -6.609 -3.216 58 H THR 12 H THR 12 2.548 -5.149 0.877 59 HA THR 12 HA THR 12 5.168 -6.081 1.457 60 HB THR 12 HB THR 12 3.918 -3.484 2.376 61 HG1 THR 12 HG1 THR 12 3.630 -3.773 0.106 62 1HG2 THR 12 1HG2 THR 12 5.981 -2.836 2.962 63 2HG2 THR 12 2HG2 THR 12 6.686 -3.464 1.474 64 3HG2 THR 12 3HG2 THR 12 6.431 -4.538 2.850 65 HA PRO 13 HA PRO 13 4.338 -7.658 5.546 66 1HB PRO 13 2HB PRO 13 7.257 -7.656 5.845 67 2HB PRO 13 1HB PRO 13 6.128 -9.011 5.892 68 1HG PRO 13 2HG PRO 13 7.826 -8.608 3.842 69 2HG PRO 13 1HG PRO 13 6.233 -9.348 3.624 70 1HD PRO 13 2HD PRO 13 7.139 -6.568 3.011 71 2HD PRO 13 1HD PRO 13 6.002 -7.607 2.128 72 H GLY 14 H GLY 14 3.918 -6.558 7.301 73 1HA GLY 14 2HA GLY 14 4.042 -5.028 9.011 74 2HA GLY 14 1HA GLY 14 5.732 -4.798 8.590 75 H ALA 15 H ALA 15 2.960 -4.268 6.474 76 HA ALA 15 HA ALA 15 3.819 -1.492 6.161 77 1HB ALA 15 1HB ALA 15 3.589 -2.793 4.116 78 2HB ALA 15 2HB ALA 15 2.411 -1.480 4.155 79 3HB ALA 15 3HB ALA 15 1.904 -3.133 4.506 80 H THR 16 H THR 16 2.464 0.232 6.459 81 HA THR 16 HA THR 16 0.223 -0.213 8.259 82 HB THR 16 HB THR 16 1.095 2.496 7.329 83 HG1 THR 16 HG1 THR 16 2.631 0.646 8.698 84 1HG2 THR 16 1HG2 THR 16 0.044 3.244 9.186 85 2HG2 THR 16 2HG2 THR 16 0.613 1.898 10.173 86 3HG2 THR 16 3HG2 THR 16 -0.781 1.687 9.110 87 H CYS 17 H CYS 17 -1.862 0.634 7.827 88 HA CYS 17 HA CYS 17 -2.488 0.684 4.985 89 1HB CYS 17 2HB CYS 17 -3.762 -0.832 6.465 90 2HB CYS 17 1HB CYS 17 -4.360 0.563 7.355 91 H SER 18 H SER 18 -3.257 2.373 3.920 92 HA SER 18 HA SER 18 -4.124 4.770 5.333 93 1HB SER 18 2HB SER 18 -1.960 4.720 3.214 94 2HB SER 18 1HB SER 18 -2.695 6.184 3.867 95 HG SER 18 HG SER 18 -1.939 4.835 5.955 96 H TRP 19 H TRP 19 -5.952 3.361 4.467 97 HA TRP 19 HA TRP 19 -6.756 2.782 2.041 98 1HB TRP 19 2HB TRP 19 -8.104 2.963 4.292 99 2HB TRP 19 1HB TRP 19 -8.699 4.458 3.573 100 HD1 TRP 19 HD1 TRP 19 -8.924 0.679 3.242 101 HE1 TRP 19 HE1 TRP 19 -10.792 0.079 1.577 102 HE3 TRP 19 HE3 TRP 19 -9.960 5.358 1.479 103 HZ2 TRP 19 HZ2 TRP 19 -12.481 1.415 -0.243 104 HZ3 TRP 19 HZ3 TRP 19 -11.721 5.615 -0.223 105 HH2 TRP 19 HH2 TRP 19 -12.953 3.683 -1.066 106 HA PRO 20 HA PRO 20 -7.438 2.533 0.479 107 1HB PRO 20 2HB PRO 20 -7.622 2.690 -2.142 108 2HB PRO 20 1HB PRO 20 -8.915 3.303 -1.112 109 1HG PRO 20 2HG PRO 20 -6.860 4.803 -2.650 110 2HG PRO 20 1HG PRO 20 -8.531 5.253 -2.275 111 1HD PRO 20 2HD PRO 20 -6.170 6.050 -0.889 112 2HD PRO 20 1HD PRO 20 -7.851 6.387 -0.434 113 H VAL 21 H VAL 21 -4.737 3.864 0.855 114 HA VAL 21 HA VAL 21 -3.261 2.078 -0.975 115 HB VAL 21 HB VAL 21 -1.371 3.745 -0.945 116 1HG1 VAL 21 1HG1 VAL 21 -3.872 3.855 -2.459 117 2HG1 VAL 21 2HG1 VAL 21 -2.203 3.826 -3.026 118 3HG1 VAL 21 3HG1 VAL 21 -2.934 5.348 -2.513 119 1HG2 VAL 21 1HG2 VAL 21 -2.924 6.100 -0.687 120 2HG2 VAL 21 2HG2 VAL 21 -1.529 5.592 0.265 121 3HG2 VAL 21 3HG2 VAL 21 -3.157 5.133 0.770 122 H CYS 22 H CYS 22 -0.921 1.737 -0.226 123 HA CYS 22 HA CYS 22 -1.022 1.278 2.684 124 1HB CYS 22 2HB CYS 22 0.556 -0.060 0.504 125 2HB CYS 22 1HB CYS 22 0.757 -0.418 2.209 126 H THR 23 H THR 23 0.761 1.770 3.987 127 HA THR 23 HA THR 23 2.864 3.407 2.752 128 HB THR 23 HB THR 23 2.798 4.832 4.877 129 HG1 THR 23 HG1 THR 23 0.120 4.519 5.218 130 1HG2 THR 23 1HG2 THR 23 0.709 6.118 4.000 131 2HG2 THR 23 2HG2 THR 23 0.737 4.925 2.701 132 3HG2 THR 23 3HG2 THR 23 2.131 5.972 2.967 133 H ARG 24 H ARG 24 4.815 3.538 4.046 134 HA ARG 24 HA ARG 24 5.046 1.714 6.283 135 1HB ARG 24 2HB ARG 24 5.478 0.520 3.964 136 2HB ARG 24 1HB ARG 24 7.035 1.329 4.082 137 1HG ARG 24 2HG ARG 24 7.436 0.255 6.235 138 2HG ARG 24 1HG ARG 24 5.872 -0.553 6.123 139 1HD ARG 24 2HD ARG 24 6.698 -1.540 3.942 140 2HD ARG 24 1HD ARG 24 8.295 -0.944 4.388 141 HE ARG 24 HE ARG 24 7.028 -3.280 5.356 142 1HH1 ARG 24 1HH1 ARG 24 9.076 -0.646 6.463 143 2HH1 ARG 24 2HH1 ARG 24 9.788 -1.579 7.734 144 1HH2 ARG 24 1HH2 ARG 24 7.956 -4.493 7.023 145 2HH2 ARG 24 2HH2 ARG 24 9.153 -3.778 8.057 146 H ASN 25 H ASN 25 6.415 2.526 7.728 147 HA ASN 25 HA ASN 25 7.850 3.944 8.758 148 1HB ASN 25 2HB ASN 25 9.211 3.815 6.062 149 2HB ASN 25 1HB ASN 25 9.902 4.641 7.452 150 1HD2 ASN 25 1HD2 ASN 25 11.324 3.505 8.521 151 2HD2 ASN 25 2HD2 ASN 25 11.370 1.785 8.662 152 H GLY 26 H GLY 26 5.497 5.003 7.470 153 1HA GLY 26 2HA GLY 26 4.538 7.095 7.346 154 2HA GLY 26 1HA GLY 26 6.109 7.790 7.710 155 H LEU 27 H LEU 27 5.987 5.605 5.067 156 HA LEU 27 HA LEU 27 5.814 7.838 3.156 157 1HB LEU 27 2HB LEU 27 7.808 5.565 3.130 158 2HB LEU 27 1HB LEU 27 7.582 6.702 1.817 159 HG LEU 27 HG LEU 27 8.501 7.447 4.596 160 1HD1 LEU 27 1HD1 LEU 27 9.992 6.892 2.052 161 2HD1 LEU 27 2HD1 LEU 27 10.272 6.233 3.664 162 3HD1 LEU 27 3HD1 LEU 27 10.660 7.919 3.321 163 1HD2 LEU 27 1HD2 LEU 27 9.029 9.607 3.580 164 2HD2 LEU 27 2HD2 LEU 27 7.308 9.245 3.453 165 3HD2 LEU 27 3HD2 LEU 27 8.354 9.055 2.047 166 HA PRO 28 HA PRO 28 2.746 5.184 1.390 167 1HB PRO 28 2HB PRO 28 3.101 6.647 -1.103 168 2HB PRO 28 1HB PRO 28 1.689 6.552 -0.053 169 1HG PRO 28 2HG PRO 28 3.214 8.794 -0.290 170 2HG PRO 28 1HG PRO 28 2.314 8.378 1.178 171 1HD PRO 28 2HD PRO 28 5.230 8.145 0.611 172 2HD PRO 28 1HD PRO 28 4.397 8.509 2.135 173 H VAL 29 H VAL 29 2.729 3.380 0.233 174 HA VAL 29 HA VAL 29 5.183 2.671 -1.193 175 HB VAL 29 HB VAL 29 2.928 0.823 -0.346 176 1HG1 VAL 29 1HG1 VAL 29 4.743 -0.901 -0.628 177 2HG1 VAL 29 2HG1 VAL 29 5.720 0.353 -1.391 178 3HG1 VAL 29 3HG1 VAL 29 4.195 -0.142 -2.123 179 1HG2 VAL 29 1HG2 VAL 29 4.272 2.075 1.491 180 2HG2 VAL 29 2HG2 VAL 29 5.580 0.983 1.036 181 3HG2 VAL 29 3HG2 VAL 29 4.049 0.330 1.619 Start of MODEL 8 1 H ALA 1 H ALA 1 5.381 2.480 -3.156 2 HA ALA 1 HA ALA 1 3.218 3.295 -4.739 3 1HB ALA 1 1HB ALA 1 5.996 2.890 -5.077 4 2HB ALA 1 2HB ALA 1 4.878 3.755 -6.130 5 3HB ALA 1 3HB ALA 1 5.170 2.033 -6.377 6 H GLY 2 H GLY 2 1.613 2.225 -5.652 7 1HA GLY 2 2HA GLY 2 0.540 0.510 -6.802 8 2HA GLY 2 1HA GLY 2 1.933 -0.519 -6.520 9 H GLU 3 H GLU 3 1.882 0.047 -3.610 10 HA GLU 3 HA GLU 3 0.142 -2.094 -2.891 11 1HB GLU 3 2HB GLU 3 2.367 -1.493 -1.803 12 2HB GLU 3 1HB GLU 3 1.501 -0.207 -0.979 13 1HG GLU 3 2HG GLU 3 1.668 -2.091 0.475 14 2HG GLU 3 1HG GLU 3 -0.013 -1.893 -0.016 15 H THR 4 H THR 4 -1.955 -1.884 -2.718 16 HA THR 4 HA THR 4 -3.025 0.625 -1.656 17 HB THR 4 HB THR 4 -5.200 -0.115 -2.721 18 HG1 THR 4 HG1 THR 4 -3.497 -1.776 -4.290 19 1HG2 THR 4 1HG2 THR 4 -2.774 0.660 -4.317 20 2HG2 THR 4 2HG2 THR 4 -4.111 1.673 -3.773 21 3HG2 THR 4 3HG2 THR 4 -4.360 0.508 -5.073 22 H CYS 5 H CYS 5 -4.807 0.505 -0.210 23 HA CYS 5 HA CYS 5 -4.915 -2.065 1.225 24 1HB CYS 5 2HB CYS 5 -3.804 -0.183 2.470 25 2HB CYS 5 1HB CYS 5 -5.339 0.678 2.430 26 H VAL 6 H VAL 6 -6.557 -1.464 -0.950 27 HA VAL 6 HA VAL 6 -9.084 -0.451 -0.179 28 HB VAL 6 HB VAL 6 -8.568 -2.459 -2.375 29 1HG1 VAL 6 1HG1 VAL 6 -10.663 -0.328 -2.403 30 2HG1 VAL 6 2HG1 VAL 6 -10.951 -1.854 -1.567 31 3HG1 VAL 6 3HG1 VAL 6 -10.601 -1.848 -3.296 32 1HG2 VAL 6 1HG2 VAL 6 -7.933 -0.781 -3.824 33 2HG2 VAL 6 2HG2 VAL 6 -7.168 -0.258 -2.323 34 3HG2 VAL 6 3HG2 VAL 6 -8.679 0.486 -2.849 35 H GLY 7 H GLY 7 -7.655 -3.660 -0.160 36 1HA GLY 7 2HA GLY 7 -10.090 -4.927 0.755 37 2HA GLY 7 1HA GLY 7 -8.537 -5.701 0.510 38 H GLY 8 H GLY 8 -8.000 -3.007 2.252 39 1HA GLY 8 2HA GLY 8 -7.884 -2.503 4.522 40 2HA GLY 8 1HA GLY 8 -8.726 -4.004 4.865 41 H THR 9 H THR 9 -6.224 -4.730 2.834 42 HA THR 9 HA THR 9 -4.187 -4.947 4.908 43 HB THR 9 HB THR 9 -3.802 -7.375 4.201 44 HG1 THR 9 HG1 THR 9 -5.401 -7.144 2.422 45 1HG2 THR 9 1HG2 THR 9 -5.623 -8.227 5.741 46 2HG2 THR 9 2HG2 THR 9 -6.191 -6.561 5.845 47 3HG2 THR 9 3HG2 THR 9 -4.574 -6.977 6.409 48 H CYS 10 H CYS 10 -2.111 -5.005 4.111 49 HA CYS 10 HA CYS 10 -1.845 -4.563 1.222 50 1HB CYS 10 2HB CYS 10 0.387 -4.144 3.168 51 2HB CYS 10 1HB CYS 10 0.108 -3.369 1.621 52 H ASN 11 H ASN 11 0.013 -5.431 0.159 53 HA ASN 11 HA ASN 11 0.434 -8.228 0.827 54 1HB ASN 11 2HB ASN 11 1.443 -6.557 -1.494 55 2HB ASN 11 1HB ASN 11 1.611 -8.304 -1.348 56 1HD2 ASN 11 1HD2 ASN 11 -0.427 -5.697 -2.199 57 2HD2 ASN 11 2HD2 ASN 11 -1.788 -6.640 -2.710 58 H THR 12 H THR 12 2.192 -5.213 0.630 59 HA THR 12 HA THR 12 4.795 -6.220 1.050 60 HB THR 12 HB THR 12 3.644 -3.483 1.637 61 HG1 THR 12 HG1 THR 12 3.580 -4.064 -0.580 62 1HG2 THR 12 1HG2 THR 12 5.758 -2.655 2.020 63 2HG2 THR 12 2HG2 THR 12 6.548 -3.967 1.145 64 3HG2 THR 12 3HG2 THR 12 5.895 -4.250 2.759 65 HA PRO 13 HA PRO 13 4.439 -7.421 5.319 66 1HB PRO 13 2HB PRO 13 7.386 -7.344 5.253 67 2HB PRO 13 1HB PRO 13 6.304 -8.690 5.618 68 1HG PRO 13 2HG PRO 13 7.680 -8.567 3.324 69 2HG PRO 13 1HG PRO 13 6.055 -9.265 3.401 70 1HD PRO 13 2HD PRO 13 6.926 -6.587 2.394 71 2HD PRO 13 1HD PRO 13 5.679 -7.681 1.762 72 H GLY 14 H GLY 14 4.260 -6.262 7.084 73 1HA GLY 14 2HA GLY 14 4.566 -4.644 8.683 74 2HA GLY 14 1HA GLY 14 6.151 -4.348 7.987 75 H ALA 15 H ALA 15 3.201 -4.077 6.120 76 HA ALA 15 HA ALA 15 3.754 -1.219 5.813 77 1HB ALA 15 1HB ALA 15 3.018 -3.233 3.988 78 2HB ALA 15 2HB ALA 15 3.247 -1.512 3.673 79 3HB ALA 15 3HB ALA 15 1.649 -2.127 4.101 80 H THR 16 H THR 16 2.366 0.321 6.442 81 HA THR 16 HA THR 16 0.119 -0.480 8.103 82 HB THR 16 HB THR 16 0.888 2.369 7.597 83 HG1 THR 16 HG1 THR 16 2.487 0.412 8.675 84 1HG2 THR 16 1HG2 THR 16 -0.509 0.803 9.690 85 2HG2 THR 16 2HG2 THR 16 -0.851 2.417 9.067 86 3HG2 THR 16 3HG2 THR 16 0.452 2.179 10.230 87 H CYS 17 H CYS 17 -1.985 0.301 7.760 88 HA CYS 17 HA CYS 17 -2.681 0.553 4.980 89 1HB CYS 17 2HB CYS 17 -3.988 -0.872 6.528 90 2HB CYS 17 1HB CYS 17 -4.480 0.571 7.407 91 H SER 18 H SER 18 -3.385 2.284 3.931 92 HA SER 18 HA SER 18 -4.083 4.732 5.343 93 1HB SER 18 2HB SER 18 -1.961 4.595 3.185 94 2HB SER 18 1HB SER 18 -2.579 6.075 3.919 95 HG SER 18 HG SER 18 -1.839 4.553 5.912 96 H TRP 19 H TRP 19 -5.951 3.331 4.449 97 HA TRP 19 HA TRP 19 -6.748 2.841 2.001 98 1HB TRP 19 2HB TRP 19 -8.106 3.019 4.284 99 2HB TRP 19 1HB TRP 19 -8.744 4.460 3.494 100 HD1 TRP 19 HD1 TRP 19 -8.742 0.659 3.246 101 HE1 TRP 19 HE1 TRP 19 -10.538 -0.083 1.561 102 HE3 TRP 19 HE3 TRP 19 -10.059 5.239 1.399 103 HZ2 TRP 19 HZ2 TRP 19 -12.282 1.111 -0.301 104 HZ3 TRP 19 HZ3 TRP 19 -11.804 5.353 -0.334 105 HH2 TRP 19 HH2 TRP 19 -12.893 3.331 -1.166 106 HA PRO 20 HA PRO 20 -7.561 2.645 0.469 107 1HB PRO 20 2HB PRO 20 -7.635 2.822 -2.160 108 2HB PRO 20 1HB PRO 20 -8.937 3.496 -1.178 109 1HG PRO 20 2HG PRO 20 -6.701 4.901 -2.565 110 2HG PRO 20 1HG PRO 20 -8.388 5.404 -2.365 111 1HD PRO 20 2HD PRO 20 -6.204 6.219 -0.783 112 2HD PRO 20 1HD PRO 20 -7.922 6.456 -0.408 113 H VAL 21 H VAL 21 -4.782 4.012 0.818 114 HA VAL 21 HA VAL 21 -3.367 2.071 -0.897 115 HB VAL 21 HB VAL 21 -1.405 3.625 -0.908 116 1HG1 VAL 21 1HG1 VAL 21 -2.233 3.792 -2.978 117 2HG1 VAL 21 2HG1 VAL 21 -2.917 5.328 -2.444 118 3HG1 VAL 21 3HG1 VAL 21 -3.898 3.862 -2.400 119 1HG2 VAL 21 1HG2 VAL 21 -3.288 5.860 -0.302 120 2HG2 VAL 21 2HG2 VAL 21 -1.526 5.818 -0.219 121 3HG2 VAL 21 3HG2 VAL 21 -2.486 5.010 1.019 122 H CYS 22 H CYS 22 -0.865 2.156 -0.023 123 HA CYS 22 HA CYS 22 -1.050 1.611 2.870 124 1HB CYS 22 2HB CYS 22 0.300 -0.008 0.713 125 2HB CYS 22 1HB CYS 22 0.632 -0.234 2.428 126 H THR 23 H THR 23 0.719 2.119 4.135 127 HA THR 23 HA THR 23 2.986 3.443 2.809 128 HB THR 23 HB THR 23 3.006 5.145 4.656 129 HG1 THR 23 HG1 THR 23 0.299 4.742 5.172 130 1HG2 THR 23 1HG2 THR 23 0.749 6.264 3.776 131 2HG2 THR 23 2HG2 THR 23 0.898 4.990 2.564 132 3HG2 THR 23 3HG2 THR 23 2.200 6.161 2.776 133 H ARG 24 H ARG 24 4.936 3.443 4.056 134 HA ARG 24 HA ARG 24 4.915 1.830 6.489 135 1HB ARG 24 2HB ARG 24 5.370 0.273 4.598 136 2HB ARG 24 1HB ARG 24 6.771 1.246 4.170 137 1HG ARG 24 2HG ARG 24 7.892 0.677 6.179 138 2HG ARG 24 1HG ARG 24 6.438 -0.054 6.859 139 1HD ARG 24 2HD ARG 24 7.927 -1.794 6.122 140 2HD ARG 24 1HD ARG 24 6.508 -1.764 5.079 141 HE ARG 24 HE ARG 24 8.503 -0.182 3.913 142 1HH1 ARG 24 1HH1 ARG 24 7.827 -3.540 4.639 143 2HH1 ARG 24 2HH1 ARG 24 8.799 -4.150 3.341 144 1HH2 ARG 24 1HH2 ARG 24 9.788 -0.984 2.187 145 2HH2 ARG 24 2HH2 ARG 24 9.915 -2.693 1.941 146 H ASN 25 H ASN 25 6.096 2.765 7.989 147 HA ASN 25 HA ASN 25 7.490 4.191 9.066 148 1HB ASN 25 2HB ASN 25 9.170 2.756 7.779 149 2HB ASN 25 1HB ASN 25 9.279 4.089 6.634 150 1HD2 ASN 25 1HD2 ASN 25 10.917 5.396 6.985 151 2HD2 ASN 25 2HD2 ASN 25 11.637 5.744 8.514 152 H GLY 26 H GLY 26 5.377 5.300 7.537 153 1HA GLY 26 2HA GLY 26 4.608 7.426 7.098 154 2HA GLY 26 1HA GLY 26 6.206 8.036 7.497 155 H LEU 27 H LEU 27 6.227 5.593 5.130 156 HA LEU 27 HA LEU 27 6.337 7.615 2.991 157 1HB LEU 27 2HB LEU 27 8.582 6.754 3.595 158 2HB LEU 27 1HB LEU 27 8.032 5.126 3.254 159 HG LEU 27 HG LEU 27 7.633 5.832 0.881 160 1HD1 LEU 27 1HD1 LEU 27 8.431 7.873 0.052 161 2HD1 LEU 27 2HD1 LEU 27 9.304 8.237 1.542 162 3HD1 LEU 27 3HD1 LEU 27 7.542 8.297 1.514 163 1HD2 LEU 27 1HD2 LEU 27 10.486 6.274 1.711 164 2HD2 LEU 27 2HD2 LEU 27 9.874 5.526 0.237 165 3HD2 LEU 27 3HD2 LEU 27 9.717 4.688 1.781 166 HA PRO 28 HA PRO 28 3.034 5.075 1.432 167 1HB PRO 28 2HB PRO 28 3.452 6.451 -1.110 168 2HB PRO 28 1HB PRO 28 2.030 6.427 -0.069 169 1HG PRO 28 2HG PRO 28 3.604 8.617 -0.333 170 2HG PRO 28 1HG PRO 28 2.722 8.239 1.156 171 1HD PRO 28 2HD PRO 28 5.618 7.904 0.528 172 2HD PRO 28 1HD PRO 28 4.837 8.337 2.062 173 H VAL 29 H VAL 29 2.914 3.239 0.348 174 HA VAL 29 HA VAL 29 5.319 2.324 -1.034 175 HB VAL 29 HB VAL 29 2.901 0.693 -0.181 176 1HG1 VAL 29 1HG1 VAL 29 5.598 -0.484 -0.617 177 2HG1 VAL 29 2HG1 VAL 29 4.675 -0.017 -2.046 178 3HG1 VAL 29 3HG1 VAL 29 4.000 -1.175 -0.900 179 1HG2 VAL 29 1HG2 VAL 29 5.557 0.653 1.205 180 2HG2 VAL 29 2HG2 VAL 29 3.979 0.132 1.794 181 3HG2 VAL 29 3HG2 VAL 29 4.339 1.851 1.638 Start of MODEL 9 1 H ALA 1 H ALA 1 5.757 2.365 -2.968 2 HA ALA 1 HA ALA 1 3.813 3.220 -4.847 3 1HB ALA 1 1HB ALA 1 6.167 1.817 -5.904 4 2HB ALA 1 2HB ALA 1 6.521 3.164 -4.824 5 3HB ALA 1 3HB ALA 1 5.543 3.425 -6.267 6 H GLY 2 H GLY 2 2.290 2.082 -5.801 7 1HA GLY 2 2HA GLY 2 1.194 0.340 -6.828 8 2HA GLY 2 1HA GLY 2 2.705 -0.554 -6.802 9 H GLU 3 H GLU 3 1.014 0.750 -3.992 10 HA GLU 3 HA GLU 3 0.189 -1.956 -3.236 11 1HB GLU 3 2HB GLU 3 2.400 -1.433 -2.180 12 2HB GLU 3 1HB GLU 3 1.644 -0.078 -1.370 13 1HG GLU 3 2HG GLU 3 1.822 -1.913 0.144 14 2HG GLU 3 1HG GLU 3 0.127 -1.631 -0.234 15 H THR 4 H THR 4 -1.914 -1.836 -2.941 16 HA THR 4 HA THR 4 -3.045 0.630 -1.818 17 HB THR 4 HB THR 4 -5.207 -0.105 -2.794 18 HG1 THR 4 HG1 THR 4 -3.912 -2.370 -3.171 19 1HG2 THR 4 1HG2 THR 4 -2.826 0.718 -4.315 20 2HG2 THR 4 2HG2 THR 4 -4.425 1.456 -4.225 21 3HG2 THR 4 3HG2 THR 4 -4.146 0.080 -5.293 22 H CYS 5 H CYS 5 -4.701 0.489 -0.288 23 HA CYS 5 HA CYS 5 -4.789 -2.086 1.144 24 1HB CYS 5 2HB CYS 5 -3.567 -0.161 2.302 25 2HB CYS 5 1HB CYS 5 -5.138 0.626 2.435 26 H VAL 6 H VAL 6 -6.526 -1.443 -0.933 27 HA VAL 6 HA VAL 6 -8.952 -0.278 -0.109 28 HB VAL 6 HB VAL 6 -8.644 -2.447 -2.188 29 1HG1 VAL 6 1HG1 VAL 6 -10.956 -1.622 -1.294 30 2HG1 VAL 6 2HG1 VAL 6 -10.697 -1.840 -3.025 31 3HG1 VAL 6 3HG1 VAL 6 -10.627 -0.225 -2.320 32 1HG2 VAL 6 1HG2 VAL 6 -7.611 -1.027 -3.557 33 2HG2 VAL 6 2HG2 VAL 6 -7.385 0.034 -2.165 34 3HG2 VAL 6 3HG2 VAL 6 -8.783 0.247 -3.219 35 H GLY 7 H GLY 7 -7.772 -3.596 -0.001 36 1HA GLY 7 2HA GLY 7 -10.238 -4.566 1.203 37 2HA GLY 7 1HA GLY 7 -8.821 -5.514 0.797 38 H GLY 8 H GLY 8 -8.083 -2.708 2.442 39 1HA GLY 8 2HA GLY 8 -7.440 -2.223 4.600 40 2HA GLY 8 1HA GLY 8 -8.468 -3.544 5.124 41 H THR 9 H THR 9 -6.077 -4.244 2.804 42 HA THR 9 HA THR 9 -4.082 -5.057 4.740 43 HB THR 9 HB THR 9 -4.093 -7.367 3.413 44 HG1 THR 9 HG1 THR 9 -6.839 -6.580 3.463 45 1HG2 THR 9 1HG2 THR 9 -5.631 -8.256 5.266 46 2HG2 THR 9 2HG2 THR 9 -5.710 -6.585 5.824 47 3HG2 THR 9 3HG2 THR 9 -4.158 -7.421 5.759 48 H CYS 10 H CYS 10 -2.049 -5.360 3.854 49 HA CYS 10 HA CYS 10 -1.764 -4.654 1.005 50 1HB CYS 10 2HB CYS 10 0.392 -4.253 3.060 51 2HB CYS 10 1HB CYS 10 0.243 -3.514 1.478 52 H ASN 11 H ASN 11 0.267 -5.506 0.040 53 HA ASN 11 HA ASN 11 0.548 -8.328 0.712 54 1HB ASN 11 2HB ASN 11 0.284 -7.575 -1.663 55 2HB ASN 11 1HB ASN 11 1.823 -6.735 -1.534 56 1HD2 ASN 11 1HD2 ASN 11 0.336 -9.533 -2.474 57 2HD2 ASN 11 2HD2 ASN 11 1.714 -10.571 -2.542 58 H THR 12 H THR 12 2.315 -5.337 0.663 59 HA THR 12 HA THR 12 4.899 -6.273 1.251 60 HB THR 12 HB THR 12 3.672 -3.640 2.100 61 HG1 THR 12 HG1 THR 12 3.423 -4.041 -0.171 62 1HG2 THR 12 1HG2 THR 12 6.346 -3.333 1.304 63 2HG2 THR 12 2HG2 THR 12 6.315 -4.757 2.343 64 3HG2 THR 12 3HG2 THR 12 5.696 -3.217 2.940 65 HA PRO 13 HA PRO 13 4.252 -7.792 5.386 66 1HB PRO 13 2HB PRO 13 7.183 -7.648 5.587 67 2HB PRO 13 1HB PRO 13 6.113 -9.045 5.731 68 1HG PRO 13 2HG PRO 13 7.698 -8.669 3.597 69 2HG PRO 13 1HG PRO 13 6.113 -9.447 3.468 70 1HD PRO 13 2HD PRO 13 6.932 -6.668 2.738 71 2HD PRO 13 1HD PRO 13 5.783 -7.757 1.933 72 H GLY 14 H GLY 14 3.851 -6.741 7.167 73 1HA GLY 14 2HA GLY 14 3.882 -5.185 8.849 74 2HA GLY 14 1HA GLY 14 5.585 -4.966 8.484 75 H ALA 15 H ALA 15 2.986 -4.375 6.195 76 HA ALA 15 HA ALA 15 3.880 -1.619 5.943 77 1HB ALA 15 1HB ALA 15 2.354 -3.511 4.271 78 2HB ALA 15 2HB ALA 15 3.550 -2.298 3.815 79 3HB ALA 15 3HB ALA 15 1.887 -1.815 4.143 80 H THR 16 H THR 16 2.568 0.168 6.246 81 HA THR 16 HA THR 16 0.398 -0.217 8.144 82 HB THR 16 HB THR 16 1.230 2.472 7.150 83 HG1 THR 16 HG1 THR 16 2.802 0.651 8.604 84 1HG2 THR 16 1HG2 THR 16 0.949 1.893 10.021 85 2HG2 THR 16 2HG2 THR 16 -0.513 1.657 9.063 86 3HG2 THR 16 3HG2 THR 16 0.297 3.224 9.066 87 H CYS 17 H CYS 17 -1.697 0.547 7.780 88 HA CYS 17 HA CYS 17 -2.434 0.624 4.969 89 1HB CYS 17 2HB CYS 17 -3.632 -0.902 6.528 90 2HB CYS 17 1HB CYS 17 -4.239 0.508 7.391 91 H SER 18 H SER 18 -3.274 2.300 3.943 92 HA SER 18 HA SER 18 -4.098 4.692 5.384 93 1HB SER 18 2HB SER 18 -2.029 4.714 3.171 94 2HB SER 18 1HB SER 18 -2.695 6.135 3.975 95 HG SER 18 HG SER 18 -1.831 4.653 5.913 96 H TRP 19 H TRP 19 -5.908 3.210 4.525 97 HA TRP 19 HA TRP 19 -6.743 2.667 2.105 98 1HB TRP 19 2HB TRP 19 -8.055 2.761 4.390 99 2HB TRP 19 1HB TRP 19 -8.725 4.235 3.695 100 HD1 TRP 19 HD1 TRP 19 -8.785 0.453 3.322 101 HE1 TRP 19 HE1 TRP 19 -10.637 -0.213 1.665 102 HE3 TRP 19 HE3 TRP 19 -10.055 5.100 1.632 103 HZ2 TRP 19 HZ2 TRP 19 -12.404 1.066 -0.121 104 HZ3 TRP 19 HZ3 TRP 19 -11.840 5.297 -0.052 105 HH2 TRP 19 HH2 TRP 19 -12.991 3.320 -0.909 106 HA PRO 20 HA PRO 20 -7.497 2.425 0.564 107 1HB PRO 20 2HB PRO 20 -7.677 2.607 -2.059 108 2HB PRO 20 1HB PRO 20 -8.983 3.189 -1.025 109 1HG PRO 20 2HG PRO 20 -6.927 4.740 -2.516 110 2HG PRO 20 1HG PRO 20 -8.619 5.147 -2.188 111 1HD PRO 20 2HD PRO 20 -6.341 6.025 -0.743 112 2HD PRO 20 1HD PRO 20 -8.043 6.251 -0.293 113 H VAL 21 H VAL 21 -4.813 3.898 0.884 114 HA VAL 21 HA VAL 21 -3.317 2.123 -0.946 115 HB VAL 21 HB VAL 21 -1.448 3.809 -0.883 116 1HG1 VAL 21 1HG1 VAL 21 -2.692 5.383 -2.516 117 2HG1 VAL 21 2HG1 VAL 21 -4.059 4.297 -2.261 118 3HG1 VAL 21 3HG1 VAL 21 -2.548 3.673 -2.921 119 1HG2 VAL 21 1HG2 VAL 21 -1.870 5.277 0.843 120 2HG2 VAL 21 2HG2 VAL 21 -3.584 5.406 0.455 121 3HG2 VAL 21 3HG2 VAL 21 -2.387 6.210 -0.561 122 H CYS 22 H CYS 22 -0.884 2.045 -0.149 123 HA CYS 22 HA CYS 22 -0.995 1.468 2.742 124 1HB CYS 22 2HB CYS 22 0.459 -0.005 0.541 125 2HB CYS 22 1HB CYS 22 0.714 -0.303 2.259 126 H THR 23 H THR 23 0.846 1.861 3.991 127 HA THR 23 HA THR 23 2.944 3.456 2.699 128 HB THR 23 HB THR 23 2.960 4.873 4.826 129 HG1 THR 23 HG1 THR 23 0.266 4.501 5.200 130 1HG2 THR 23 1HG2 THR 23 0.476 5.757 3.804 131 2HG2 THR 23 2HG2 THR 23 1.375 5.063 2.455 132 3HG2 THR 23 3HG2 THR 23 2.087 6.359 3.416 133 H ARG 24 H ARG 24 4.846 3.747 4.129 134 HA ARG 24 HA ARG 24 5.276 1.738 6.173 135 1HB ARG 24 2HB ARG 24 6.433 1.604 3.448 136 2HB ARG 24 1HB ARG 24 7.565 1.358 4.768 137 1HG ARG 24 2HG ARG 24 5.029 -0.211 4.358 138 2HG ARG 24 1HG ARG 24 6.643 -0.740 3.879 139 1HD ARG 24 2HD ARG 24 5.664 -0.182 6.677 140 2HD ARG 24 1HD ARG 24 6.073 -1.753 5.988 141 HE ARG 24 HE ARG 24 8.312 -0.067 5.809 142 1HH1 ARG 24 1HH1 ARG 24 6.424 -1.814 8.185 143 2HH1 ARG 24 2HH1 ARG 24 7.734 -1.941 9.317 144 1HH2 ARG 24 1HH2 ARG 24 10.046 -0.231 7.303 145 2HH2 ARG 24 2HH2 ARG 24 9.798 -1.040 8.813 146 H ASN 25 H ASN 25 6.257 2.767 7.763 147 HA ASN 25 HA ASN 25 7.460 4.275 8.960 148 1HB ASN 25 2HB ASN 25 9.281 3.103 7.562 149 2HB ASN 25 1HB ASN 25 9.294 4.568 6.587 150 1HD2 ASN 25 1HD2 ASN 25 10.753 6.009 7.158 151 2HD2 ASN 25 2HD2 ASN 25 11.418 6.214 8.739 152 H GLY 26 H GLY 26 5.264 5.288 7.540 153 1HA GLY 26 2HA GLY 26 4.303 7.365 7.268 154 2HA GLY 26 1HA GLY 26 5.861 8.085 7.630 155 H LEU 27 H LEU 27 6.089 5.819 5.128 156 HA LEU 27 HA LEU 27 5.849 7.956 3.107 157 1HB LEU 27 2HB LEU 27 7.844 5.683 3.177 158 2HB LEU 27 1HB LEU 27 7.687 6.854 1.883 159 HG LEU 27 HG LEU 27 8.487 7.516 4.719 160 1HD1 LEU 27 1HD1 LEU 27 9.998 6.325 2.687 161 2HD1 LEU 27 2HD1 LEU 27 10.588 7.052 4.182 162 3HD1 LEU 27 3HD1 LEU 27 10.477 8.022 2.713 163 1HD2 LEU 27 1HD2 LEU 27 7.345 9.177 2.878 164 2HD2 LEU 27 2HD2 LEU 27 9.065 9.403 2.558 165 3HD2 LEU 27 3HD2 LEU 27 8.423 9.689 4.175 166 HA PRO 28 HA PRO 28 2.843 5.225 1.331 167 1HB PRO 28 2HB PRO 28 3.360 6.556 -1.217 168 2HB PRO 28 1HB PRO 28 1.879 6.495 -0.265 169 1HG PRO 28 2HG PRO 28 3.385 8.743 -0.495 170 2HG PRO 28 1HG PRO 28 2.409 8.372 0.937 171 1HD PRO 28 2HD PRO 28 5.355 8.163 0.543 172 2HD PRO 28 1HD PRO 28 4.434 8.572 2.002 173 H VAL 29 H VAL 29 2.858 3.355 0.258 174 HA VAL 29 HA VAL 29 5.400 2.476 -0.865 175 HB VAL 29 HB VAL 29 2.902 0.845 -0.303 176 1HG1 VAL 29 1HG1 VAL 29 5.004 0.204 -1.944 177 2HG1 VAL 29 2HG1 VAL 29 3.961 -0.957 -1.123 178 3HG1 VAL 29 3HG1 VAL 29 5.504 -0.495 -0.404 179 1HG2 VAL 29 1HG2 VAL 29 4.281 -0.020 1.615 180 2HG2 VAL 29 2HG2 VAL 29 3.718 1.643 1.779 181 3HG2 VAL 29 3HG2 VAL 29 5.391 1.319 1.326 Start of MODEL 10 1 H ALA 1 H ALA 1 4.703 3.674 -3.540 2 HA ALA 1 HA ALA 1 2.191 4.095 -4.809 3 1HB ALA 1 1HB ALA 1 4.020 3.759 -6.844 4 2HB ALA 1 2HB ALA 1 5.002 4.352 -5.504 5 3HB ALA 1 3HB ALA 1 3.608 5.282 -6.057 6 H GLY 2 H GLY 2 0.907 2.693 -5.816 7 1HA GLY 2 2HA GLY 2 0.429 0.838 -7.196 8 2HA GLY 2 1HA GLY 2 1.991 0.155 -6.773 9 H GLU 3 H GLU 3 1.718 0.472 -3.935 10 HA GLU 3 HA GLU 3 0.128 -1.880 -3.433 11 1HB GLU 3 2HB GLU 3 2.376 -1.376 -2.351 12 2HB GLU 3 1HB GLU 3 1.539 -0.187 -1.374 13 1HG GLU 3 2HG GLU 3 0.240 -1.835 -0.304 14 2HG GLU 3 1HG GLU 3 0.716 -3.069 -1.467 15 H THR 4 H THR 4 -1.979 -1.714 -3.216 16 HA THR 4 HA THR 4 -3.102 0.694 -1.987 17 HB THR 4 HB THR 4 -5.274 -0.089 -2.890 18 HG1 THR 4 HG1 THR 4 -3.966 -2.350 -3.240 19 1HG2 THR 4 1HG2 THR 4 -4.923 0.916 -4.907 20 2HG2 THR 4 2HG2 THR 4 -3.491 -0.049 -5.263 21 3HG2 THR 4 3HG2 THR 4 -3.380 1.317 -4.153 22 H CYS 5 H CYS 5 -4.726 0.519 -0.399 23 HA CYS 5 HA CYS 5 -4.693 -2.049 1.047 24 1HB CYS 5 2HB CYS 5 -3.505 -0.088 2.178 25 2HB CYS 5 1HB CYS 5 -5.095 0.654 2.341 26 H VAL 6 H VAL 6 -6.498 -1.504 -0.980 27 HA VAL 6 HA VAL 6 -8.936 -0.394 -0.122 28 HB VAL 6 HB VAL 6 -8.607 -2.593 -2.166 29 1HG1 VAL 6 1HG1 VAL 6 -10.628 -0.573 -2.661 30 2HG1 VAL 6 2HG1 VAL 6 -10.905 -1.444 -1.153 31 3HG1 VAL 6 3HG1 VAL 6 -10.760 -2.332 -2.670 32 1HG2 VAL 6 1HG2 VAL 6 -7.390 -1.147 -3.345 33 2HG2 VAL 6 2HG2 VAL 6 -7.710 0.157 -2.202 34 3HG2 VAL 6 3HG2 VAL 6 -8.853 -0.174 -3.503 35 H GLY 7 H GLY 7 -7.664 -3.677 0.019 36 1HA GLY 7 2HA GLY 7 -10.075 -4.691 1.292 37 2HA GLY 7 1HA GLY 7 -8.639 -5.606 0.879 38 H GLY 8 H GLY 8 -7.942 -2.754 2.460 39 1HA GLY 8 2HA GLY 8 -7.258 -2.220 4.594 40 2HA GLY 8 1HA GLY 8 -8.275 -3.530 5.162 41 H THR 9 H THR 9 -5.869 -4.203 2.833 42 HA THR 9 HA THR 9 -3.883 -5.024 4.776 43 HB THR 9 HB THR 9 -3.875 -7.313 3.391 44 HG1 THR 9 HG1 THR 9 -6.631 -6.578 3.528 45 1HG2 THR 9 1HG2 THR 9 -5.391 -6.562 5.865 46 2HG2 THR 9 2HG2 THR 9 -3.890 -7.476 5.712 47 3HG2 THR 9 3HG2 THR 9 -5.425 -8.219 5.260 48 H CYS 10 H CYS 10 -1.838 -5.308 3.899 49 HA CYS 10 HA CYS 10 -1.533 -4.485 1.089 50 1HB CYS 10 2HB CYS 10 0.548 -4.219 3.244 51 2HB CYS 10 1HB CYS 10 0.569 -3.508 1.641 52 H ASN 11 H ASN 11 0.518 -5.287 0.113 53 HA ASN 11 HA ASN 11 0.603 -8.161 0.435 54 1HB ASN 11 2HB ASN 11 2.006 -6.323 -1.518 55 2HB ASN 11 1HB ASN 11 2.140 -8.077 -1.538 56 1HD2 ASN 11 1HD2 ASN 11 0.823 -9.087 -2.862 57 2HD2 ASN 11 2HD2 ASN 11 -0.683 -8.487 -3.455 58 H THR 12 H THR 12 2.606 -5.371 1.018 59 HA THR 12 HA THR 12 4.941 -6.943 1.693 60 HB THR 12 HB THR 12 4.535 -4.026 2.339 61 HG1 THR 12 HG1 THR 12 4.048 -4.258 0.141 62 1HG2 THR 12 1HG2 THR 12 7.069 -5.344 1.431 63 2HG2 THR 12 2HG2 THR 12 6.556 -5.469 3.115 64 3HG2 THR 12 3HG2 THR 12 6.856 -3.885 2.398 65 HA PRO 13 HA PRO 13 3.684 -7.761 5.882 66 1HB PRO 13 2HB PRO 13 6.551 -8.260 6.337 67 2HB PRO 13 1HB PRO 13 5.178 -9.355 6.520 68 1HG PRO 13 2HG PRO 13 6.947 -9.607 4.514 69 2HG PRO 13 1HG PRO 13 5.233 -10.006 4.313 70 1HD PRO 13 2HD PRO 13 6.737 -7.586 3.409 71 2HD PRO 13 1HD PRO 13 5.434 -8.476 2.597 72 H GLY 14 H GLY 14 3.559 -6.531 7.658 73 1HA GLY 14 2HA GLY 14 4.023 -4.906 9.224 74 2HA GLY 14 1HA GLY 14 5.668 -4.861 8.608 75 H ALA 15 H ALA 15 2.893 -4.329 6.563 76 HA ALA 15 HA ALA 15 3.837 -1.620 6.043 77 1HB ALA 15 1HB ALA 15 3.395 -2.251 3.954 78 2HB ALA 15 2HB ALA 15 1.686 -2.102 4.364 79 3HB ALA 15 3HB ALA 15 2.492 -3.665 4.497 80 H THR 16 H THR 16 2.555 0.191 6.261 81 HA THR 16 HA THR 16 0.384 -0.053 8.183 82 HB THR 16 HB THR 16 1.259 2.562 7.035 83 HG1 THR 16 HG1 THR 16 2.813 0.792 8.559 84 1HG2 THR 16 1HG2 THR 16 0.320 1.580 9.723 85 2HG2 THR 16 2HG2 THR 16 -0.485 2.708 8.633 86 3HG2 THR 16 3HG2 THR 16 0.984 3.195 9.478 87 H CYS 17 H CYS 17 -1.707 0.734 7.761 88 HA CYS 17 HA CYS 17 -2.391 0.716 4.926 89 1HB CYS 17 2HB CYS 17 -3.575 -0.845 6.452 90 2HB CYS 17 1HB CYS 17 -4.240 0.542 7.310 91 H SER 18 H SER 18 -3.274 2.362 3.879 92 HA SER 18 HA SER 18 -4.188 4.729 5.308 93 1HB SER 18 2HB SER 18 -2.078 4.785 3.135 94 2HB SER 18 1HB SER 18 -2.823 6.204 3.870 95 HG SER 18 HG SER 18 -1.970 4.830 5.885 96 H TRP 19 H TRP 19 -5.961 3.222 4.450 97 HA TRP 19 HA TRP 19 -6.772 2.648 2.024 98 1HB TRP 19 2HB TRP 19 -8.089 2.726 4.309 99 2HB TRP 19 1HB TRP 19 -8.789 4.181 3.603 100 HD1 TRP 19 HD1 TRP 19 -8.767 0.396 3.250 101 HE1 TRP 19 HE1 TRP 19 -10.609 -0.316 1.601 102 HE3 TRP 19 HE3 TRP 19 -10.133 5.005 1.539 103 HZ2 TRP 19 HZ2 TRP 19 -12.406 0.918 -0.188 104 HZ3 TRP 19 HZ3 TRP 19 -11.927 5.160 -0.141 105 HH2 TRP 19 HH2 TRP 19 -13.039 3.156 -0.987 106 HA PRO 20 HA PRO 20 -7.518 2.394 0.480 107 1HB PRO 20 2HB PRO 20 -7.715 2.571 -2.139 108 2HB PRO 20 1HB PRO 20 -9.027 3.130 -1.101 109 1HG PRO 20 2HG PRO 20 -7.005 4.718 -2.604 110 2HG PRO 20 1HG PRO 20 -8.703 5.096 -2.265 111 1HD PRO 20 2HD PRO 20 -6.429 6.009 -0.833 112 2HD PRO 20 1HD PRO 20 -8.132 6.214 -0.377 113 H VAL 21 H VAL 21 -4.864 3.893 0.812 114 HA VAL 21 HA VAL 21 -3.341 2.159 -1.034 115 HB VAL 21 HB VAL 21 -1.494 3.858 -0.972 116 1HG1 VAL 21 1HG1 VAL 21 -4.107 4.260 -2.347 117 2HG1 VAL 21 2HG1 VAL 21 -2.540 3.797 -3.014 118 3HG1 VAL 21 3HG1 VAL 21 -2.840 5.471 -2.543 119 1HG2 VAL 21 1HG2 VAL 21 -3.169 6.146 -0.548 120 2HG2 VAL 21 2HG2 VAL 21 -1.643 5.718 0.225 121 3HG2 VAL 21 3HG2 VAL 21 -3.165 5.121 0.887 122 H CYS 22 H CYS 22 -0.944 2.037 -0.257 123 HA CYS 22 HA CYS 22 -1.036 1.405 2.615 124 1HB CYS 22 2HB CYS 22 0.412 0.065 0.331 125 2HB CYS 22 1HB CYS 22 0.834 -0.227 2.017 126 H THR 23 H THR 23 0.744 1.848 3.901 127 HA THR 23 HA THR 23 2.790 3.598 2.721 128 HB THR 23 HB THR 23 2.783 4.759 5.038 129 HG1 THR 23 HG1 THR 23 0.073 4.435 5.241 130 1HG2 THR 23 1HG2 THR 23 0.480 5.955 4.121 131 2HG2 THR 23 2HG2 THR 23 1.123 5.186 2.670 132 3HG2 THR 23 3HG2 THR 23 2.117 6.325 3.577 133 H ARG 24 H ARG 24 4.796 3.627 3.916 134 HA ARG 24 HA ARG 24 5.174 1.553 5.909 135 1HB ARG 24 2HB ARG 24 5.408 0.477 3.636 136 2HB ARG 24 1HB ARG 24 6.781 1.533 3.349 137 1HG ARG 24 2HG ARG 24 8.150 0.319 4.647 138 2HG ARG 24 1HG ARG 24 6.894 -0.019 5.838 139 1HD ARG 24 2HD ARG 24 7.727 -2.026 4.596 140 2HD ARG 24 1HD ARG 24 5.987 -1.771 4.505 141 HE ARG 24 HE ARG 24 7.921 -1.413 2.333 142 1HH1 ARG 24 1HH1 ARG 24 4.585 -1.430 3.410 143 2HH1 ARG 24 2HH1 ARG 24 3.924 -1.496 1.797 144 1HH2 ARG 24 1HH2 ARG 24 7.033 -1.490 0.206 145 2HH2 ARG 24 2HH2 ARG 24 5.311 -1.532 0.004 146 H ASN 25 H ASN 25 6.549 2.259 7.389 147 HA ASN 25 HA ASN 25 8.011 3.576 8.518 148 1HB ASN 25 2HB ASN 25 9.288 3.655 5.784 149 2HB ASN 25 1HB ASN 25 10.009 4.437 7.184 150 1HD2 ASN 25 1HD2 ASN 25 8.720 2.063 8.743 151 2HD2 ASN 25 2HD2 ASN 25 9.901 0.818 8.560 152 H GLY 26 H GLY 26 5.621 4.742 7.447 153 1HA GLY 26 2HA GLY 26 4.645 6.826 7.540 154 2HA GLY 26 1HA GLY 26 6.222 7.494 7.929 155 H LEU 27 H LEU 27 5.985 5.574 5.082 156 HA LEU 27 HA LEU 27 5.799 7.996 3.414 157 1HB LEU 27 2HB LEU 27 7.724 5.690 3.065 158 2HB LEU 27 1HB LEU 27 7.499 6.990 1.911 159 HG LEU 27 HG LEU 27 8.515 7.359 4.731 160 1HD1 LEU 27 1HD1 LEU 27 9.845 6.370 2.440 161 2HD1 LEU 27 2HD1 LEU 27 10.532 6.803 4.005 162 3HD1 LEU 27 3HD1 LEU 27 10.423 8.012 2.726 163 1HD2 LEU 27 1HD2 LEU 27 9.220 9.590 3.731 164 2HD2 LEU 27 2HD2 LEU 27 7.502 9.373 4.065 165 3HD2 LEU 27 3HD2 LEU 27 8.104 9.228 2.415 166 HA PRO 28 HA PRO 28 2.611 5.614 1.479 167 1HB PRO 28 2HB PRO 28 2.966 7.293 -0.877 168 2HB PRO 28 1HB PRO 28 1.573 7.146 0.192 169 1HG PRO 28 2HG PRO 28 3.165 9.351 0.130 170 2HG PRO 28 1HG PRO 28 2.283 8.827 1.573 171 1HD PRO 28 2HD PRO 28 5.177 8.557 0.918 172 2HD PRO 28 1HD PRO 28 4.389 8.801 2.488 173 H VAL 29 H VAL 29 2.513 3.925 0.153 174 HA VAL 29 HA VAL 29 4.900 3.336 -1.451 175 HB VAL 29 HB VAL 29 2.780 1.404 -0.466 176 1HG1 VAL 29 1HG1 VAL 29 4.845 1.172 -2.430 177 2HG1 VAL 29 2HG1 VAL 29 3.691 -0.044 -1.887 178 3HG1 VAL 29 3HG1 VAL 29 5.236 0.136 -1.059 179 1HG2 VAL 29 1HG2 VAL 29 3.895 2.132 1.465 180 2HG2 VAL 29 2HG2 VAL 29 5.457 2.189 0.651 181 3HG2 VAL 29 3HG2 VAL 29 4.710 0.635 1.017 Start of MODEL 11 1 H ALA 1 H ALA 1 4.330 4.014 -3.398 2 HA ALA 1 HA ALA 1 1.712 4.211 -4.415 3 1HB ALA 1 1HB ALA 1 3.423 3.975 -6.610 4 2HB ALA 1 2HB ALA 1 4.383 4.733 -5.340 5 3HB ALA 1 3HB ALA 1 2.858 5.460 -5.846 6 H GLY 2 H GLY 2 4.073 1.632 -4.490 7 1HA GLY 2 2HA GLY 2 2.460 0.059 -6.330 8 2HA GLY 2 1HA GLY 2 4.036 -0.381 -5.693 9 H GLU 3 H GLU 3 1.273 0.666 -3.778 10 HA GLU 3 HA GLU 3 0.538 -2.009 -3.042 11 1HB GLU 3 2HB GLU 3 2.612 -1.609 -1.705 12 2HB GLU 3 1HB GLU 3 1.797 -0.268 -0.923 13 1HG GLU 3 2HG GLU 3 1.788 -2.284 0.444 14 2HG GLU 3 1HG GLU 3 0.161 -1.757 0.023 15 H THR 4 H THR 4 -1.544 -1.998 -2.694 16 HA THR 4 HA THR 4 -2.806 0.492 -1.778 17 HB THR 4 HB THR 4 -4.892 -0.328 -2.854 18 HG1 THR 4 HG1 THR 4 -3.326 -2.523 -3.258 19 1HG2 THR 4 1HG2 THR 4 -2.632 -0.124 -4.840 20 2HG2 THR 4 2HG2 THR 4 -3.269 1.260 -3.951 21 3HG2 THR 4 3HG2 THR 4 -4.312 0.366 -5.057 22 H CYS 5 H CYS 5 -4.607 0.321 -0.362 23 HA CYS 5 HA CYS 5 -4.666 -2.219 1.135 24 1HB CYS 5 2HB CYS 5 -3.524 -0.285 2.323 25 2HB CYS 5 1HB CYS 5 -5.092 0.519 2.349 26 H VAL 6 H VAL 6 -6.344 -1.639 -1.012 27 HA VAL 6 HA VAL 6 -8.823 -0.529 -0.259 28 HB VAL 6 HB VAL 6 -8.422 -2.680 -2.337 29 1HG1 VAL 6 1HG1 VAL 6 -10.306 -0.916 -3.260 30 2HG1 VAL 6 2HG1 VAL 6 -10.657 -0.996 -1.534 31 3HG1 VAL 6 3HG1 VAL 6 -10.638 -2.471 -2.498 32 1HG2 VAL 6 1HG2 VAL 6 -7.310 -1.265 -3.643 33 2HG2 VAL 6 2HG2 VAL 6 -7.187 -0.173 -2.263 34 3HG2 VAL 6 3HG2 VAL 6 -8.525 -0.009 -3.401 35 H GLY 7 H GLY 7 -7.516 -3.787 -0.057 36 1HA GLY 7 2HA GLY 7 -9.991 -4.931 0.905 37 2HA GLY 7 1HA GLY 7 -8.447 -5.741 0.753 38 H GLY 8 H GLY 8 -8.174 -2.846 2.373 39 1HA GLY 8 2HA GLY 8 -8.076 -2.248 4.610 40 2HA GLY 8 1HA GLY 8 -8.862 -3.767 5.009 41 H THR 9 H THR 9 -6.308 -4.504 3.073 42 HA THR 9 HA THR 9 -4.249 -4.457 5.111 43 HB THR 9 HB THR 9 -3.897 -7.015 4.511 44 HG1 THR 9 HG1 THR 9 -6.692 -6.575 4.184 45 1HG2 THR 9 1HG2 THR 9 -5.337 -7.580 6.544 46 2HG2 THR 9 2HG2 THR 9 -5.730 -5.862 6.598 47 3HG2 THR 9 3HG2 THR 9 -4.057 -6.389 6.774 48 H CYS 10 H CYS 10 -2.179 -4.677 4.273 49 HA CYS 10 HA CYS 10 -1.981 -4.378 1.378 50 1HB CYS 10 2HB CYS 10 0.327 -4.235 3.295 51 2HB CYS 10 1HB CYS 10 0.187 -3.510 1.708 52 H ASN 11 H ASN 11 -0.199 -5.481 0.281 53 HA ASN 11 HA ASN 11 -0.196 -8.313 0.943 54 1HB ASN 11 2HB ASN 11 -0.577 -7.761 -1.376 55 2HB ASN 11 1HB ASN 11 0.852 -6.735 -1.421 56 1HD2 ASN 11 1HD2 ASN 11 2.548 -7.590 -2.340 57 2HD2 ASN 11 2HD2 ASN 11 2.901 -9.275 -2.474 58 H THR 12 H THR 12 1.922 -5.563 0.750 59 HA THR 12 HA THR 12 4.382 -6.915 1.169 60 HB THR 12 HB THR 12 3.711 -4.038 1.818 61 HG1 THR 12 HG1 THR 12 3.174 -4.546 -0.361 62 1HG2 THR 12 1HG2 THR 12 6.352 -4.643 0.747 63 2HG2 THR 12 2HG2 THR 12 6.040 -5.457 2.280 64 3HG2 THR 12 3HG2 THR 12 5.898 -3.703 2.169 65 HA PRO 13 HA PRO 13 3.800 -7.776 5.514 66 1HB PRO 13 2HB PRO 13 6.353 -8.607 6.009 67 2HB PRO 13 1HB PRO 13 5.122 -9.627 5.256 68 1HG PRO 13 2HG PRO 13 7.336 -8.073 3.985 69 2HG PRO 13 1HG PRO 13 6.741 -9.698 3.608 70 1HD PRO 13 2HD PRO 13 6.081 -7.531 2.129 71 2HD PRO 13 1HD PRO 13 4.978 -8.904 2.353 72 H GLY 14 H GLY 14 3.909 -6.463 7.185 73 1HA GLY 14 2HA GLY 14 4.688 -4.891 8.683 74 2HA GLY 14 1HA GLY 14 6.227 -4.914 7.838 75 H ALA 15 H ALA 15 3.124 -4.220 6.338 76 HA ALA 15 HA ALA 15 4.064 -1.480 5.833 77 1HB ALA 15 1HB ALA 15 2.480 -3.398 4.177 78 2HB ALA 15 2HB ALA 15 3.870 -2.410 3.727 79 3HB ALA 15 3HB ALA 15 2.286 -1.662 3.936 80 H THR 16 H THR 16 2.687 0.231 6.190 81 HA THR 16 HA THR 16 0.478 -0.295 8.007 82 HB THR 16 HB THR 16 1.264 2.451 7.127 83 HG1 THR 16 HG1 THR 16 2.857 0.608 8.470 84 1HG2 THR 16 1HG2 THR 16 0.459 1.305 9.802 85 2HG2 THR 16 2HG2 THR 16 -0.621 2.129 8.678 86 3HG2 THR 16 3HG2 THR 16 0.706 3.011 9.432 87 H CYS 17 H CYS 17 -1.621 0.443 7.642 88 HA CYS 17 HA CYS 17 -2.367 0.525 4.842 89 1HB CYS 17 2HB CYS 17 -3.565 -0.979 6.393 90 2HB CYS 17 1HB CYS 17 -4.123 0.423 7.300 91 H SER 18 H SER 18 -3.293 2.179 3.807 92 HA SER 18 HA SER 18 -4.113 4.581 5.216 93 1HB SER 18 2HB SER 18 -2.009 4.620 3.035 94 2HB SER 18 1HB SER 18 -2.712 6.037 3.815 95 HG SER 18 HG SER 18 -1.848 4.542 5.768 96 H TRP 19 H TRP 19 -5.904 3.090 4.347 97 HA TRP 19 HA TRP 19 -6.708 2.529 1.918 98 1HB TRP 19 2HB TRP 19 -8.046 2.635 4.197 99 2HB TRP 19 1HB TRP 19 -8.731 4.085 3.464 100 HD1 TRP 19 HD1 TRP 19 -8.710 0.295 3.154 101 HE1 TRP 19 HE1 TRP 19 -10.524 -0.437 1.483 102 HE3 TRP 19 HE3 TRP 19 -10.060 4.885 1.374 103 HZ2 TRP 19 HZ2 TRP 19 -12.294 0.772 -0.346 104 HZ3 TRP 19 HZ3 TRP 19 -11.828 5.015 -0.336 105 HH2 TRP 19 HH2 TRP 19 -12.921 2.999 -1.177 106 HA PRO 20 HA PRO 20 -7.488 2.279 0.382 107 1HB PRO 20 2HB PRO 20 -7.623 2.440 -2.250 108 2HB PRO 20 1HB PRO 20 -8.948 3.022 -1.241 109 1HG PRO 20 2HG PRO 20 -6.873 4.573 -2.708 110 2HG PRO 20 1HG PRO 20 -8.572 4.975 -2.408 111 1HD PRO 20 2HD PRO 20 -6.325 5.878 -0.938 112 2HD PRO 20 1HD PRO 20 -8.033 6.088 -0.508 113 H VAL 21 H VAL 21 -4.806 3.816 0.679 114 HA VAL 21 HA VAL 21 -3.283 1.974 -1.058 115 HB VAL 21 HB VAL 21 -1.423 3.688 -1.014 116 1HG1 VAL 21 1HG1 VAL 21 -3.843 3.614 -2.612 117 2HG1 VAL 21 2HG1 VAL 21 -2.162 3.791 -3.118 118 3HG1 VAL 21 3HG1 VAL 21 -3.087 5.208 -2.623 119 1HG2 VAL 21 1HG2 VAL 21 -2.945 5.002 0.794 120 2HG2 VAL 21 2HG2 VAL 21 -3.367 5.864 -0.685 121 3HG2 VAL 21 3HG2 VAL 21 -1.682 5.757 -0.178 122 H CYS 22 H CYS 22 -0.789 2.177 -0.171 123 HA CYS 22 HA CYS 22 -0.986 1.656 2.722 124 1HB CYS 22 2HB CYS 22 0.452 0.059 0.608 125 2HB CYS 22 1HB CYS 22 0.800 -0.110 2.326 126 H THR 23 H THR 23 0.896 2.013 3.961 127 HA THR 23 HA THR 23 2.983 3.645 2.686 128 HB THR 23 HB THR 23 2.979 5.074 4.791 129 HG1 THR 23 HG1 THR 23 0.285 4.562 5.200 130 1HG2 THR 23 1HG2 THR 23 1.176 5.178 2.514 131 2HG2 THR 23 2HG2 THR 23 2.089 6.474 3.289 132 3HG2 THR 23 3HG2 THR 23 0.509 6.008 3.920 133 H ARG 24 H ARG 24 4.935 3.814 4.087 134 HA ARG 24 HA ARG 24 5.143 1.848 6.204 135 1HB ARG 24 2HB ARG 24 5.617 0.693 3.956 136 2HB ARG 24 1HB ARG 24 7.084 1.661 3.906 137 1HG ARG 24 2HG ARG 24 7.914 0.643 5.895 138 2HG ARG 24 1HG ARG 24 6.378 -0.180 6.177 139 1HD ARG 24 2HD ARG 24 6.726 -1.379 4.006 140 2HD ARG 24 1HD ARG 24 8.343 -0.676 3.947 141 HE ARG 24 HE ARG 24 8.021 -1.941 6.421 142 1HH1 ARG 24 1HH1 ARG 24 8.228 -2.790 3.035 143 2HH1 ARG 24 2HH1 ARG 24 8.900 -4.358 3.333 144 1HH2 ARG 24 1HH2 ARG 24 8.916 -4.005 6.826 145 2HH2 ARG 24 2HH2 ARG 24 9.286 -5.053 5.499 146 H ASN 25 H ASN 25 6.330 2.661 7.764 147 HA ASN 25 HA ASN 25 7.691 4.014 8.964 148 1HB ASN 25 2HB ASN 25 9.317 4.217 6.417 149 2HB ASN 25 1HB ASN 25 9.875 4.606 8.039 150 1HD2 ASN 25 1HD2 ASN 25 10.282 2.452 5.763 151 2HD2 ASN 25 2HD2 ASN 25 10.517 1.016 6.692 152 H GLY 26 H GLY 26 5.461 5.146 7.535 153 1HA GLY 26 2HA GLY 26 4.539 7.266 7.472 154 2HA GLY 26 1HA GLY 26 6.114 7.924 7.887 155 H LEU 27 H LEU 27 6.202 5.809 5.230 156 HA LEU 27 HA LEU 27 6.142 8.096 3.367 157 1HB LEU 27 2HB LEU 27 7.996 5.742 3.525 158 2HB LEU 27 1HB LEU 27 7.682 6.497 1.976 159 HG LEU 27 HG LEU 27 9.706 7.417 2.787 160 1HD1 LEU 27 1HD1 LEU 27 7.582 8.976 2.125 161 2HD1 LEU 27 2HD1 LEU 27 9.237 9.552 2.336 162 3HD1 LEU 27 3HD1 LEU 27 8.080 9.685 3.661 163 1HD2 LEU 27 1HD2 LEU 27 9.604 6.812 5.101 164 2HD2 LEU 27 2HD2 LEU 27 8.259 7.918 5.380 165 3HD2 LEU 27 3HD2 LEU 27 9.857 8.554 4.987 166 HA PRO 28 HA PRO 28 2.803 5.854 1.538 167 1HB PRO 28 2HB PRO 28 3.241 7.420 -0.873 168 2HB PRO 28 1HB PRO 28 1.857 7.407 0.216 169 1HG PRO 28 2HG PRO 28 3.597 9.495 0.052 170 2HG PRO 28 1HG PRO 28 2.694 9.091 1.520 171 1HD PRO 28 2HD PRO 28 5.555 8.587 0.855 172 2HD PRO 28 1HD PRO 28 4.804 8.958 2.419 173 H VAL 29 H VAL 29 2.596 4.129 0.307 174 HA VAL 29 HA VAL 29 4.862 3.383 -1.414 175 HB VAL 29 HB VAL 29 2.841 1.513 -0.124 176 1HG1 VAL 29 1HG1 VAL 29 4.840 -0.091 -0.720 177 2HG1 VAL 29 2HG1 VAL 29 5.195 1.146 -1.926 178 3HG1 VAL 29 3HG1 VAL 29 3.631 0.331 -1.934 179 1HG2 VAL 29 1HG2 VAL 29 4.627 0.881 1.406 180 2HG2 VAL 29 2HG2 VAL 29 4.262 2.599 1.559 181 3HG2 VAL 29 3HG2 VAL 29 5.699 2.078 0.679 Start of MODEL 12 1 H ALA 1 H ALA 1 5.632 2.434 -3.159 2 HA ALA 1 HA ALA 1 3.563 3.233 -4.854 3 1HB ALA 1 1HB ALA 1 5.530 3.656 -5.867 4 2HB ALA 1 2HB ALA 1 5.249 2.073 -6.589 5 3HB ALA 1 3HB ALA 1 6.313 2.228 -5.192 6 H GLY 2 H GLY 2 1.892 2.195 -5.658 7 1HA GLY 2 2HA GLY 2 0.711 0.506 -6.721 8 2HA GLY 2 1HA GLY 2 2.082 -0.563 -6.489 9 H GLU 3 H GLU 3 2.121 0.050 -3.567 10 HA GLU 3 HA GLU 3 0.419 -2.082 -2.775 11 1HB GLU 3 2HB GLU 3 2.640 -1.384 -1.722 12 2HB GLU 3 1HB GLU 3 1.732 -0.122 -0.908 13 1HG GLU 3 2HG GLU 3 2.046 -2.063 0.515 14 2HG GLU 3 1HG GLU 3 0.341 -1.782 0.169 15 H THR 4 H THR 4 -1.678 -1.931 -2.584 16 HA THR 4 HA THR 4 -2.816 0.574 -1.584 17 HB THR 4 HB THR 4 -4.967 -0.226 -2.650 18 HG1 THR 4 HG1 THR 4 -3.203 -1.890 -4.152 19 1HG2 THR 4 1HG2 THR 4 -2.544 0.600 -4.215 20 2HG2 THR 4 2HG2 THR 4 -3.940 1.565 -3.735 21 3HG2 THR 4 3HG2 THR 4 -4.098 0.360 -5.014 22 H CYS 5 H CYS 5 -4.622 0.434 -0.162 23 HA CYS 5 HA CYS 5 -4.711 -2.121 1.304 24 1HB CYS 5 2HB CYS 5 -3.568 -0.231 2.523 25 2HB CYS 5 1HB CYS 5 -5.104 0.630 2.504 26 H VAL 6 H VAL 6 -6.368 -1.491 -0.860 27 HA VAL 6 HA VAL 6 -8.867 -0.430 -0.092 28 HB VAL 6 HB VAL 6 -8.416 -2.508 -2.236 29 1HG1 VAL 6 1HG1 VAL 6 -10.411 -1.712 -3.233 30 2HG1 VAL 6 2HG1 VAL 6 -10.493 -0.336 -2.133 31 3HG1 VAL 6 3HG1 VAL 6 -10.771 -1.969 -1.526 32 1HG2 VAL 6 1HG2 VAL 6 -8.236 -0.524 -3.769 33 2HG2 VAL 6 2HG2 VAL 6 -6.865 -0.760 -2.685 34 3HG2 VAL 6 3HG2 VAL 6 -8.066 0.480 -2.329 35 H GLY 7 H GLY 7 -7.518 -3.673 0.004 36 1HA GLY 7 2HA GLY 7 -9.982 -4.857 0.967 37 2HA GLY 7 1HA GLY 7 -8.448 -5.668 0.728 38 H GLY 8 H GLY 8 -8.077 -2.851 2.448 39 1HA GLY 8 2HA GLY 8 -7.879 -2.340 4.698 40 2HA GLY 8 1HA GLY 8 -8.696 -3.850 5.069 41 H THR 9 H THR 9 -6.190 -4.507 3.011 42 HA THR 9 HA THR 9 -4.102 -4.652 5.015 43 HB THR 9 HB THR 9 -3.816 -7.168 4.201 44 HG1 THR 9 HG1 THR 9 -6.616 -6.654 4.026 45 1HG2 THR 9 1HG2 THR 9 -3.920 -7.224 6.439 46 2HG2 THR 9 2HG2 THR 9 -5.637 -7.564 6.230 47 3HG2 THR 9 3HG2 THR 9 -5.094 -5.909 6.501 48 H CYS 10 H CYS 10 -2.048 -4.853 4.138 49 HA CYS 10 HA CYS 10 -1.883 -4.361 1.262 50 1HB CYS 10 2HB CYS 10 0.475 -4.319 3.103 51 2HB CYS 10 1HB CYS 10 0.231 -3.447 1.604 52 H ASN 11 H ASN 11 -0.221 -5.380 0.038 53 HA ASN 11 HA ASN 11 -0.149 -8.239 0.481 54 1HB ASN 11 2HB ASN 11 -0.485 -7.445 -1.784 55 2HB ASN 11 1HB ASN 11 0.972 -6.464 -1.703 56 1HD2 ASN 11 1HD2 ASN 11 2.679 -7.283 -2.642 57 2HD2 ASN 11 2HD2 ASN 11 2.983 -8.959 -2.930 58 H THR 12 H THR 12 2.054 -5.505 0.475 59 HA THR 12 HA THR 12 4.369 -7.130 1.050 60 HB THR 12 HB THR 12 4.084 -4.121 1.194 61 HG1 THR 12 HG1 THR 12 3.675 -4.704 -0.908 62 1HG2 THR 12 1HG2 THR 12 6.412 -6.002 1.304 63 2HG2 THR 12 2HG2 THR 12 6.070 -4.590 2.304 64 3HG2 THR 12 3HG2 THR 12 6.614 -4.382 0.639 65 HA PRO 13 HA PRO 13 3.482 -7.330 5.422 66 1HB PRO 13 2HB PRO 13 5.888 -8.427 6.137 67 2HB PRO 13 1HB PRO 13 4.535 -9.355 5.481 68 1HG PRO 13 2HG PRO 13 6.971 -8.316 4.093 69 2HG PRO 13 1HG PRO 13 6.163 -9.884 3.916 70 1HD PRO 13 2HD PRO 13 5.834 -7.894 2.127 71 2HD PRO 13 1HD PRO 13 4.526 -9.026 2.529 72 H GLY 14 H GLY 14 3.880 -6.054 7.149 73 1HA GLY 14 2HA GLY 14 5.038 -4.589 8.541 74 2HA GLY 14 1HA GLY 14 6.356 -4.564 7.381 75 H ALA 15 H ALA 15 3.569 -4.020 5.683 76 HA ALA 15 HA ALA 15 4.129 -1.161 5.584 77 1HB ALA 15 1HB ALA 15 2.111 -2.625 3.901 78 2HB ALA 15 2HB ALA 15 3.832 -2.624 3.516 79 3HB ALA 15 3HB ALA 15 2.937 -1.105 3.555 80 H THR 16 H THR 16 2.721 0.403 6.259 81 HA THR 16 HA THR 16 0.533 -0.474 7.961 82 HB THR 16 HB THR 16 1.231 2.401 7.508 83 HG1 THR 16 HG1 THR 16 2.864 0.431 8.584 84 1HG2 THR 16 1HG2 THR 16 -0.442 0.963 9.266 85 2HG2 THR 16 2HG2 THR 16 -0.105 2.694 9.266 86 3HG2 THR 16 3HG2 THR 16 0.886 1.603 10.235 87 H CYS 17 H CYS 17 -1.592 0.258 7.704 88 HA CYS 17 HA CYS 17 -2.393 0.541 4.962 89 1HB CYS 17 2HB CYS 17 -3.630 -0.899 6.554 90 2HB CYS 17 1HB CYS 17 -4.104 0.539 7.453 91 H SER 18 H SER 18 -3.185 2.250 3.951 92 HA SER 18 HA SER 18 -3.859 4.695 5.370 93 1HB SER 18 2HB SER 18 -1.766 4.574 3.182 94 2HB SER 18 1HB SER 18 -2.400 6.052 3.902 95 HG SER 18 HG SER 18 -1.609 4.546 5.901 96 H TRP 19 H TRP 19 -5.726 3.271 4.511 97 HA TRP 19 HA TRP 19 -6.565 2.766 2.082 98 1HB TRP 19 2HB TRP 19 -7.882 2.925 4.384 99 2HB TRP 19 1HB TRP 19 -8.541 4.371 3.621 100 HD1 TRP 19 HD1 TRP 19 -8.547 0.574 3.351 101 HE1 TRP 19 HE1 TRP 19 -10.372 -0.158 1.692 102 HE3 TRP 19 HE3 TRP 19 -9.889 5.163 1.549 103 HZ2 TRP 19 HZ2 TRP 19 -12.144 1.044 -0.135 104 HZ3 TRP 19 HZ3 TRP 19 -11.663 5.287 -0.154 105 HH2 TRP 19 HH2 TRP 19 -12.768 3.269 -0.977 106 HA PRO 20 HA PRO 20 -7.409 2.558 0.561 107 1HB PRO 20 2HB PRO 20 -7.512 2.728 -2.071 108 2HB PRO 20 1HB PRO 20 -8.811 3.382 -1.074 109 1HG PRO 20 2HG PRO 20 -6.619 4.819 -2.495 110 2HG PRO 20 1HG PRO 20 -8.307 5.300 -2.262 111 1HD PRO 20 2HD PRO 20 -6.100 6.138 -0.724 112 2HD PRO 20 1HD PRO 20 -7.812 6.363 -0.318 113 H VAL 21 H VAL 21 -4.636 3.953 0.863 114 HA VAL 21 HA VAL 21 -3.233 2.007 -0.853 115 HB VAL 21 HB VAL 21 -1.289 3.570 -0.933 116 1HG1 VAL 21 1HG1 VAL 21 -3.774 3.698 -2.388 117 2HG1 VAL 21 2HG1 VAL 21 -2.119 3.844 -2.980 118 3HG1 VAL 21 3HG1 VAL 21 -2.969 5.268 -2.379 119 1HG2 VAL 21 1HG2 VAL 21 -2.643 4.992 0.974 120 2HG2 VAL 21 2HG2 VAL 21 -2.932 5.940 -0.485 121 3HG2 VAL 21 3HG2 VAL 21 -1.281 5.589 0.025 122 H CYS 22 H CYS 22 -0.702 2.171 0.002 123 HA CYS 22 HA CYS 22 -0.850 1.654 2.899 124 1HB CYS 22 2HB CYS 22 0.437 -0.009 0.740 125 2HB CYS 22 1HB CYS 22 0.861 -0.183 2.441 126 H THR 23 H THR 23 0.913 2.230 4.126 127 HA THR 23 HA THR 23 3.154 3.528 2.732 128 HB THR 23 HB THR 23 3.175 5.320 4.454 129 HG1 THR 23 HG1 THR 23 0.527 4.871 5.171 130 1HG2 THR 23 1HG2 THR 23 2.065 6.532 2.950 131 2HG2 THR 23 2HG2 THR 23 0.533 5.908 3.562 132 3HG2 THR 23 3HG2 THR 23 1.379 5.059 2.267 133 H ARG 24 H ARG 24 5.132 3.387 3.784 134 HA ARG 24 HA ARG 24 5.172 1.615 6.132 135 1HB ARG 24 2HB ARG 24 6.234 0.663 4.090 136 2HB ARG 24 1HB ARG 24 7.337 2.033 4.054 137 1HG ARG 24 2HG ARG 24 8.234 1.352 6.235 138 2HG ARG 24 1HG ARG 24 7.149 -0.041 6.231 139 1HD ARG 24 2HD ARG 24 9.214 0.512 4.109 140 2HD ARG 24 1HD ARG 24 9.478 -0.548 5.491 141 HE ARG 24 HE ARG 24 8.012 -1.140 3.102 142 1HH1 ARG 24 1HH1 ARG 24 8.355 -1.938 6.494 143 2HH1 ARG 24 2HH1 ARG 24 7.609 -3.491 6.334 144 1HH2 ARG 24 1HH2 ARG 24 7.030 -3.199 2.893 145 2HH2 ARG 24 2HH2 ARG 24 6.853 -4.215 4.292 146 H ASN 25 H ASN 25 5.419 2.815 7.875 147 HA ASN 25 HA ASN 25 6.155 4.366 9.352 148 1HB ASN 25 2HB ASN 25 8.601 4.458 7.567 149 2HB ASN 25 1HB ASN 25 8.495 5.141 9.185 150 1HD2 ASN 25 1HD2 ASN 25 9.875 2.764 7.660 151 2HD2 ASN 25 2HD2 ASN 25 9.803 1.503 8.839 152 H GLY 26 H GLY 26 4.486 5.203 7.215 153 1HA GLY 26 2HA GLY 26 3.560 7.329 6.840 154 2HA GLY 26 1HA GLY 26 5.093 8.054 7.296 155 H LEU 27 H LEU 27 6.311 5.947 5.320 156 HA LEU 27 HA LEU 27 6.175 7.756 3.039 157 1HB LEU 27 2HB LEU 27 8.364 6.941 3.838 158 2HB LEU 27 1HB LEU 27 7.869 5.295 3.497 159 HG LEU 27 HG LEU 27 7.681 5.912 1.083 160 1HD1 LEU 27 1HD1 LEU 27 7.476 8.410 1.682 161 2HD1 LEU 27 2HD1 LEU 27 8.394 7.955 0.247 162 3HD1 LEU 27 3HD1 LEU 27 9.239 8.383 1.735 163 1HD2 LEU 27 1HD2 LEU 27 10.135 5.763 2.675 164 2HD2 LEU 27 2HD2 LEU 27 10.346 6.450 1.064 165 3HD2 LEU 27 3HD2 LEU 27 9.644 4.845 1.253 166 HA PRO 28 HA PRO 28 2.989 5.191 1.253 167 1HB PRO 28 2HB PRO 28 3.635 6.595 -1.230 168 2HB PRO 28 1HB PRO 28 2.106 6.496 -0.363 169 1HG PRO 28 2HG PRO 28 3.608 8.752 -0.410 170 2HG PRO 28 1HG PRO 28 2.572 8.309 0.958 171 1HD PRO 28 2HD PRO 28 5.530 8.157 0.692 172 2HD PRO 28 1HD PRO 28 4.536 8.448 2.132 173 H VAL 29 H VAL 29 3.001 3.348 0.216 174 HA VAL 29 HA VAL 29 5.496 2.474 -1.032 175 HB VAL 29 HB VAL 29 3.114 0.785 -0.185 176 1HG1 VAL 29 1HG1 VAL 29 5.854 -0.316 -0.544 177 2HG1 VAL 29 2HG1 VAL 29 4.936 0.073 -1.999 178 3HG1 VAL 29 3HG1 VAL 29 4.285 -1.069 -0.825 179 1HG2 VAL 29 1HG2 VAL 29 3.861 0.886 1.900 180 2HG2 VAL 29 2HG2 VAL 29 5.103 2.036 1.404 181 3HG2 VAL 29 3HG2 VAL 29 5.443 0.306 1.379 Start of MODEL 13 1 H ALA 1 H ALA 1 5.232 2.720 -3.229 2 HA ALA 1 HA ALA 1 2.964 3.432 -4.734 3 1HB ALA 1 1HB ALA 1 4.713 2.590 -6.626 4 2HB ALA 1 2HB ALA 1 5.798 2.891 -5.269 5 3HB ALA 1 3HB ALA 1 4.751 4.180 -5.865 6 H GLY 2 H GLY 2 1.455 2.263 -5.712 7 1HA GLY 2 2HA GLY 2 0.525 0.472 -6.880 8 2HA GLY 2 1HA GLY 2 1.967 -0.470 -6.538 9 H GLU 3 H GLU 3 1.860 0.083 -3.673 10 HA GLU 3 HA GLU 3 0.174 -2.092 -2.930 11 1HB GLU 3 2HB GLU 3 2.390 -1.422 -1.863 12 2HB GLU 3 1HB GLU 3 1.501 -0.144 -1.055 13 1HG GLU 3 2HG GLU 3 1.716 -1.974 0.442 14 2HG GLU 3 1HG GLU 3 0.031 -1.864 -0.061 15 H THR 4 H THR 4 -1.938 -1.929 -2.732 16 HA THR 4 HA THR 4 -3.051 0.582 -1.713 17 HB THR 4 HB THR 4 -5.217 -0.207 -2.754 18 HG1 THR 4 HG1 THR 4 -3.453 -1.915 -4.214 19 1HG2 THR 4 1HG2 THR 4 -2.854 0.916 -4.051 20 2HG2 THR 4 2HG2 THR 4 -4.534 1.451 -4.100 21 3HG2 THR 4 3HG2 THR 4 -3.983 0.177 -5.187 22 H CYS 5 H CYS 5 -4.819 0.465 -0.257 23 HA CYS 5 HA CYS 5 -4.905 -2.088 1.214 24 1HB CYS 5 2HB CYS 5 -3.776 -0.171 2.413 25 2HB CYS 5 1HB CYS 5 -5.328 0.660 2.409 26 H VAL 6 H VAL 6 -6.586 -1.538 -0.936 27 HA VAL 6 HA VAL 6 -9.083 -0.466 -0.178 28 HB VAL 6 HB VAL 6 -8.634 -2.608 -2.259 29 1HG1 VAL 6 1HG1 VAL 6 -10.722 -2.222 -3.015 30 2HG1 VAL 6 2HG1 VAL 6 -10.655 -0.501 -2.637 31 3HG1 VAL 6 3HG1 VAL 6 -10.992 -1.670 -1.361 32 1HG2 VAL 6 1HG2 VAL 6 -7.110 -0.686 -2.574 33 2HG2 VAL 6 2HG2 VAL 6 -8.512 0.382 -2.629 34 3HG2 VAL 6 3HG2 VAL 6 -8.292 -0.847 -3.874 35 H GLY 7 H GLY 7 -7.733 -3.711 -0.035 36 1HA GLY 7 2HA GLY 7 -10.177 -4.827 1.081 37 2HA GLY 7 1HA GLY 7 -8.693 -5.688 0.729 38 H GLY 8 H GLY 8 -8.130 -2.867 2.395 39 1HA GLY 8 2HA GLY 8 -7.620 -2.353 4.584 40 2HA GLY 8 1HA GLY 8 -8.601 -3.724 5.061 41 H THR 9 H THR 9 -6.107 -4.364 2.848 42 HA THR 9 HA THR 9 -4.130 -5.027 4.860 43 HB THR 9 HB THR 9 -4.021 -7.378 3.587 44 HG1 THR 9 HG1 THR 9 -6.794 -6.691 3.612 45 1HG2 THR 9 1HG2 THR 9 -5.218 -6.447 6.083 46 2HG2 THR 9 2HG2 THR 9 -4.149 -7.818 5.782 47 3HG2 THR 9 3HG2 THR 9 -5.885 -7.979 5.519 48 H CYS 10 H CYS 10 -2.048 -5.296 4.008 49 HA CYS 10 HA CYS 10 -1.772 -4.626 1.150 50 1HB CYS 10 2HB CYS 10 0.412 -4.127 3.128 51 2HB CYS 10 1HB CYS 10 0.128 -3.358 1.582 52 H ASN 11 H ASN 11 0.104 -5.453 0.102 53 HA ASN 11 HA ASN 11 0.615 -8.223 0.794 54 1HB ASN 11 2HB ASN 11 0.242 -7.698 -1.540 55 2HB ASN 11 1HB ASN 11 1.513 -6.481 -1.516 56 1HD2 ASN 11 1HD2 ASN 11 3.380 -7.078 -2.310 57 2HD2 ASN 11 2HD2 ASN 11 3.963 -8.699 -2.441 58 H THR 12 H THR 12 2.307 -5.158 0.650 59 HA THR 12 HA THR 12 4.917 -6.110 1.156 60 HB THR 12 HB THR 12 3.699 -3.404 1.762 61 HG1 THR 12 HG1 THR 12 3.683 -3.928 -0.466 62 1HG2 THR 12 1HG2 THR 12 5.859 -2.533 2.057 63 2HG2 THR 12 2HG2 THR 12 6.627 -3.975 1.393 64 3HG2 THR 12 3HG2 THR 12 5.867 -4.033 2.984 65 HA PRO 13 HA PRO 13 4.411 -7.362 5.398 66 1HB PRO 13 2HB PRO 13 7.352 -7.303 5.455 67 2HB PRO 13 1HB PRO 13 6.252 -8.656 5.725 68 1HG PRO 13 2HG PRO 13 7.747 -8.451 3.504 69 2HG PRO 13 1HG PRO 13 6.132 -9.179 3.489 70 1HD PRO 13 2HD PRO 13 7.003 -6.466 2.582 71 2HD PRO 13 1HD PRO 13 5.799 -7.561 1.875 72 H GLY 14 H GLY 14 4.175 -6.193 7.162 73 1HA GLY 14 2HA GLY 14 4.458 -4.574 8.768 74 2HA GLY 14 1HA GLY 14 6.055 -4.277 8.098 75 H ALA 15 H ALA 15 3.177 -4.043 6.137 76 HA ALA 15 HA ALA 15 3.724 -1.201 5.775 77 1HB ALA 15 1HB ALA 15 3.149 -3.136 3.955 78 2HB ALA 15 2HB ALA 15 2.931 -1.406 3.685 79 3HB ALA 15 3HB ALA 15 1.565 -2.399 4.193 80 H THR 16 H THR 16 2.364 0.378 6.355 81 HA THR 16 HA THR 16 0.152 -0.313 8.110 82 HB THR 16 HB THR 16 0.878 2.506 7.450 83 HG1 THR 16 HG1 THR 16 2.578 0.611 8.530 84 1HG2 THR 16 1HG2 THR 16 0.337 2.875 9.785 85 2HG2 THR 16 2HG2 THR 16 0.196 1.137 10.053 86 3HG2 THR 16 3HG2 THR 16 -0.963 1.966 9.013 87 H CYS 17 H CYS 17 -1.961 0.398 7.746 88 HA CYS 17 HA CYS 17 -2.672 0.587 4.962 89 1HB CYS 17 2HB CYS 17 -3.957 -0.825 6.552 90 2HB CYS 17 1HB CYS 17 -4.479 0.636 7.384 91 H SER 18 H SER 18 -3.382 2.295 3.885 92 HA SER 18 HA SER 18 -4.097 4.757 5.266 93 1HB SER 18 2HB SER 18 -1.992 4.617 3.092 94 2HB SER 18 1HB SER 18 -2.597 6.093 3.844 95 HG SER 18 HG SER 18 -1.845 4.593 5.830 96 H TRP 19 H TRP 19 -5.961 3.333 4.398 97 HA TRP 19 HA TRP 19 -6.772 2.811 1.962 98 1HB TRP 19 2HB TRP 19 -8.115 3.000 4.252 99 2HB TRP 19 1HB TRP 19 -8.764 4.435 3.459 100 HD1 TRP 19 HD1 TRP 19 -8.764 0.634 3.241 101 HE1 TRP 19 HE1 TRP 19 -10.572 -0.123 1.575 102 HE3 TRP 19 HE3 TRP 19 -10.088 5.196 1.360 103 HZ2 TRP 19 HZ2 TRP 19 -12.324 1.054 -0.289 104 HZ3 TRP 19 HZ3 TRP 19 -11.844 5.296 -0.363 105 HH2 TRP 19 HH2 TRP 19 -12.938 3.266 -1.170 106 HA PRO 20 HA PRO 20 -7.585 2.593 0.436 107 1HB PRO 20 2HB PRO 20 -7.689 2.744 -2.193 108 2HB PRO 20 1HB PRO 20 -8.987 3.414 -1.203 109 1HG PRO 20 2HG PRO 20 -6.784 4.829 -2.633 110 2HG PRO 20 1HG PRO 20 -8.472 5.319 -2.410 111 1HD PRO 20 2HD PRO 20 -6.264 6.158 -0.868 112 2HD PRO 20 1HD PRO 20 -7.977 6.398 -0.475 113 H VAL 21 H VAL 21 -4.821 3.998 0.742 114 HA VAL 21 HA VAL 21 -3.398 2.063 -0.975 115 HB VAL 21 HB VAL 21 -1.442 3.630 -0.972 116 1HG1 VAL 21 1HG1 VAL 21 -3.679 3.524 -2.623 117 2HG1 VAL 21 2HG1 VAL 21 -2.099 4.200 -3.021 118 3HG1 VAL 21 3HG1 VAL 21 -3.373 5.244 -2.391 119 1HG2 VAL 21 1HG2 VAL 21 -1.471 5.567 0.114 120 2HG2 VAL 21 2HG2 VAL 21 -3.006 5.077 0.831 121 3HG2 VAL 21 3HG2 VAL 21 -2.991 6.036 -0.648 122 H CYS 22 H CYS 22 -0.908 2.123 -0.101 123 HA CYS 22 HA CYS 22 -1.096 1.589 2.791 124 1HB CYS 22 2HB CYS 22 0.230 -0.049 0.636 125 2HB CYS 22 1HB CYS 22 0.587 -0.262 2.346 126 H THR 23 H THR 23 0.706 2.012 4.041 127 HA THR 23 HA THR 23 2.903 3.444 2.708 128 HB THR 23 HB THR 23 3.023 4.868 4.821 129 HG1 THR 23 HG1 THR 23 0.297 4.515 5.223 130 1HG2 THR 23 1HG2 THR 23 0.849 5.067 2.770 131 2HG2 THR 23 2HG2 THR 23 2.304 6.047 2.958 132 3HG2 THR 23 3HG2 THR 23 0.950 6.257 4.068 133 H ARG 24 H ARG 24 4.848 3.589 4.163 134 HA ARG 24 HA ARG 24 5.070 1.520 6.178 135 1HB ARG 24 2HB ARG 24 5.521 0.239 4.178 136 2HB ARG 24 1HB ARG 24 6.630 1.468 3.588 137 1HG ARG 24 2HG ARG 24 8.125 0.973 5.495 138 2HG ARG 24 1HG ARG 24 7.035 -0.333 5.965 139 1HD ARG 24 2HD ARG 24 9.025 -1.043 4.604 140 2HD ARG 24 1HD ARG 24 7.459 -1.528 3.957 141 HE ARG 24 HE ARG 24 7.954 -0.345 2.086 142 1HH1 ARG 24 1HH1 ARG 24 9.878 0.995 4.693 143 2HH1 ARG 24 2HH1 ARG 24 10.627 2.196 3.696 144 1HH2 ARG 24 1HH2 ARG 24 8.951 1.236 0.767 145 2HH2 ARG 24 2HH2 ARG 24 10.104 2.328 1.457 146 H ASN 25 H ASN 25 6.105 2.440 7.787 147 HA ASN 25 HA ASN 25 7.421 3.814 9.021 148 1HB ASN 25 2HB ASN 25 9.134 2.471 7.546 149 2HB ASN 25 1HB ASN 25 9.385 4.026 6.761 150 1HD2 ASN 25 1HD2 ASN 25 10.614 2.070 9.015 151 2HD2 ASN 25 2HD2 ASN 25 11.351 3.223 10.066 152 H GLY 26 H GLY 26 5.372 5.042 7.645 153 1HA GLY 26 2HA GLY 26 4.606 7.186 7.318 154 2HA GLY 26 1HA GLY 26 6.212 7.767 7.718 155 H LEU 27 H LEU 27 6.251 5.485 5.204 156 HA LEU 27 HA LEU 27 6.277 7.648 3.197 157 1HB LEU 27 2HB LEU 27 8.018 5.176 3.293 158 2HB LEU 27 1HB LEU 27 7.996 6.342 1.985 159 HG LEU 27 HG LEU 27 8.836 6.949 4.822 160 1HD1 LEU 27 1HD1 LEU 27 10.284 5.403 3.312 161 2HD1 LEU 27 2HD1 LEU 27 11.040 6.733 4.189 162 3HD1 LEU 27 3HD1 LEU 27 10.675 6.902 2.471 163 1HD2 LEU 27 1HD2 LEU 27 9.626 8.728 2.631 164 2HD2 LEU 27 2HD2 LEU 27 9.033 9.109 4.247 165 3HD2 LEU 27 3HD2 LEU 27 7.894 8.703 2.963 166 HA PRO 28 HA PRO 28 2.989 5.224 1.457 167 1HB PRO 28 2HB PRO 28 3.509 6.658 -1.036 168 2HB PRO 28 1HB PRO 28 2.056 6.635 -0.040 169 1HG PRO 28 2HG PRO 28 3.680 8.798 -0.191 170 2HG PRO 28 1HG PRO 28 2.751 8.392 1.261 171 1HD PRO 28 2HD PRO 28 5.656 8.021 0.702 172 2HD PRO 28 1HD PRO 28 4.839 8.420 2.227 173 H VAL 29 H VAL 29 2.828 3.423 0.287 174 HA VAL 29 HA VAL 29 5.243 2.525 -1.111 175 HB VAL 29 HB VAL 29 2.884 0.848 -0.180 176 1HG1 VAL 29 1HG1 VAL 29 5.585 -0.272 -0.732 177 2HG1 VAL 29 2HG1 VAL 29 4.588 0.173 -2.117 178 3HG1 VAL 29 3HG1 VAL 29 3.992 -1.000 -0.942 179 1HG2 VAL 29 1HG2 VAL 29 4.387 0.087 1.610 180 2HG2 VAL 29 2HG2 VAL 29 4.039 1.812 1.729 181 3HG2 VAL 29 3HG2 VAL 29 5.592 1.265 1.094 Start of MODEL 14 1 H ALA 1 H ALA 1 5.825 1.864 -2.945 2 HA ALA 1 HA ALA 1 4.078 2.876 -4.877 3 1HB ALA 1 1HB ALA 1 5.740 1.626 -6.459 4 2HB ALA 1 2HB ALA 1 6.649 1.373 -4.969 5 3HB ALA 1 3HB ALA 1 6.278 3.011 -5.510 6 H GLY 2 H GLY 2 2.348 2.046 -5.753 7 1HA GLY 2 2HA GLY 2 0.897 0.568 -6.735 8 2HA GLY 2 1HA GLY 2 2.221 -0.581 -6.815 9 H GLU 3 H GLU 3 1.540 0.613 -3.674 10 HA GLU 3 HA GLU 3 0.231 -1.945 -3.048 11 1HB GLU 3 2HB GLU 3 2.431 -1.385 -1.941 12 2HB GLU 3 1HB GLU 3 1.605 -0.072 -1.123 13 1HG GLU 3 2HG GLU 3 1.701 -1.863 0.392 14 2HG GLU 3 1HG GLU 3 0.037 -1.771 -0.178 15 H THR 4 H THR 4 -1.893 -1.734 -2.946 16 HA THR 4 HA THR 4 -3.014 0.723 -1.794 17 HB THR 4 HB THR 4 -5.158 0.034 -2.840 18 HG1 THR 4 HG1 THR 4 -3.847 -2.239 -3.242 19 1HG2 THR 4 1HG2 THR 4 -3.787 0.138 -5.293 20 2HG2 THR 4 2HG2 THR 4 -2.797 1.035 -4.141 21 3HG2 THR 4 3HG2 THR 4 -4.484 1.486 -4.392 22 H CYS 5 H CYS 5 -4.725 0.560 -0.296 23 HA CYS 5 HA CYS 5 -4.821 -2.047 1.075 24 1HB CYS 5 2HB CYS 5 -3.665 -0.157 2.324 25 2HB CYS 5 1HB CYS 5 -5.236 0.635 2.407 26 H VAL 6 H VAL 6 -6.531 -1.459 -1.016 27 HA VAL 6 HA VAL 6 -8.995 -0.343 -0.226 28 HB VAL 6 HB VAL 6 -8.606 -2.497 -2.309 29 1HG1 VAL 6 1HG1 VAL 6 -10.934 -2.095 -1.715 30 2HG1 VAL 6 2HG1 VAL 6 -10.593 -1.520 -3.347 31 3HG1 VAL 6 3HG1 VAL 6 -10.722 -0.370 -2.015 32 1HG2 VAL 6 1HG2 VAL 6 -8.765 -0.082 -3.632 33 2HG2 VAL 6 2HG2 VAL 6 -7.300 -1.029 -3.371 34 3HG2 VAL 6 3HG2 VAL 6 -7.721 0.271 -2.255 35 H GLY 7 H GLY 7 -7.729 -3.629 -0.109 36 1HA GLY 7 2HA GLY 7 -10.187 -4.671 1.049 37 2HA GLY 7 1HA GLY 7 -8.741 -5.578 0.658 38 H GLY 8 H GLY 8 -8.084 -2.780 2.351 39 1HA GLY 8 2HA GLY 8 -7.489 -2.315 4.530 40 2HA GLY 8 1HA GLY 8 -8.519 -3.648 5.014 41 H THR 9 H THR 9 -6.045 -4.276 2.754 42 HA THR 9 HA THR 9 -4.105 -5.111 4.737 43 HB THR 9 HB THR 9 -4.058 -7.387 3.325 44 HG1 THR 9 HG1 THR 9 -6.816 -6.644 3.409 45 1HG2 THR 9 1HG2 THR 9 -5.841 -8.161 5.189 46 2HG2 THR 9 2HG2 THR 9 -5.381 -6.589 5.843 47 3HG2 THR 9 3HG2 THR 9 -4.149 -7.815 5.548 48 H CYS 10 H CYS 10 -2.027 -5.396 3.883 49 HA CYS 10 HA CYS 10 -1.710 -4.613 1.058 50 1HB CYS 10 2HB CYS 10 0.426 -4.170 3.109 51 2HB CYS 10 1HB CYS 10 0.221 -3.393 1.556 52 H ASN 11 H ASN 11 0.196 -5.401 0.028 53 HA ASN 11 HA ASN 11 0.688 -8.195 0.638 54 1HB ASN 11 2HB ASN 11 0.366 -7.587 -1.688 55 2HB ASN 11 1HB ASN 11 1.644 -6.382 -1.594 56 1HD2 ASN 11 1HD2 ASN 11 3.509 -6.967 -2.397 57 2HD2 ASN 11 2HD2 ASN 11 4.090 -8.587 -2.557 58 H THR 12 H THR 12 2.371 -5.126 0.640 59 HA THR 12 HA THR 12 4.971 -6.093 1.182 60 HB THR 12 HB THR 12 3.744 -3.404 1.836 61 HG1 THR 12 HG1 THR 12 3.738 -3.874 -0.407 62 1HG2 THR 12 1HG2 THR 12 6.348 -2.869 1.472 63 2HG2 THR 12 2HG2 THR 12 6.482 -4.493 2.148 64 3HG2 THR 12 3HG2 THR 12 5.656 -3.225 3.056 65 HA PRO 13 HA PRO 13 4.332 -7.398 5.393 66 1HB PRO 13 2HB PRO 13 6.972 -7.729 6.019 67 2HB PRO 13 1HB PRO 13 6.018 -8.913 5.119 68 1HG PRO 13 2HG PRO 13 7.934 -6.857 4.104 69 2HG PRO 13 1HG PRO 13 7.699 -8.533 3.582 70 1HD PRO 13 2HD PRO 13 6.696 -6.437 2.203 71 2HD PRO 13 1HD PRO 13 5.872 -8.008 2.276 72 H GLY 14 H GLY 14 4.049 -6.259 7.155 73 1HA GLY 14 2HA GLY 14 4.296 -4.676 8.801 74 2HA GLY 14 1HA GLY 14 5.933 -4.421 8.219 75 H ALA 15 H ALA 15 3.013 -4.023 6.289 76 HA ALA 15 HA ALA 15 3.720 -1.197 5.959 77 1HB ALA 15 1HB ALA 15 3.369 -2.874 3.994 78 2HB ALA 15 2HB ALA 15 2.720 -1.238 3.877 79 3HB ALA 15 3HB ALA 15 1.656 -2.582 4.297 80 H THR 16 H THR 16 2.337 0.415 6.526 81 HA THR 16 HA THR 16 0.091 -0.324 8.215 82 HB THR 16 HB THR 16 0.779 2.514 7.619 83 HG1 THR 16 HG1 THR 16 2.388 0.659 9.036 84 1HG2 THR 16 1HG2 THR 16 -1.067 1.987 9.135 85 2HG2 THR 16 2HG2 THR 16 0.245 2.793 9.996 86 3HG2 THR 16 3HG2 THR 16 0.028 1.049 10.150 87 H CYS 17 H CYS 17 -2.015 0.320 7.818 88 HA CYS 17 HA CYS 17 -2.660 0.619 5.021 89 1HB CYS 17 2HB CYS 17 -3.874 -0.990 6.467 90 2HB CYS 17 1HB CYS 17 -4.527 0.366 7.381 91 H SER 18 H SER 18 -3.310 2.354 4.043 92 HA SER 18 HA SER 18 -4.314 4.656 5.527 93 1HB SER 18 2HB SER 18 -2.080 4.724 3.480 94 2HB SER 18 1HB SER 18 -2.915 6.157 4.079 95 HG SER 18 HG SER 18 -0.824 4.998 5.146 96 H TRP 19 H TRP 19 -6.077 3.225 4.594 97 HA TRP 19 HA TRP 19 -6.822 2.689 2.138 98 1HB TRP 19 2HB TRP 19 -8.209 2.767 4.385 99 2HB TRP 19 1HB TRP 19 -8.872 4.230 3.662 100 HD1 TRP 19 HD1 TRP 19 -8.860 0.446 3.292 101 HE1 TRP 19 HE1 TRP 19 -10.650 -0.249 1.579 102 HE3 TRP 19 HE3 TRP 19 -10.156 5.072 1.562 103 HZ2 TRP 19 HZ2 TRP 19 -12.384 0.999 -0.260 104 HZ3 TRP 19 HZ3 TRP 19 -11.893 5.239 -0.176 105 HH2 TRP 19 HH2 TRP 19 -12.983 3.243 -1.067 106 HA PRO 20 HA PRO 20 -7.525 2.458 0.574 107 1HB PRO 20 2HB PRO 20 -7.662 2.672 -2.051 108 2HB PRO 20 1HB PRO 20 -8.992 3.223 -1.031 109 1HG PRO 20 2HG PRO 20 -6.944 4.818 -2.481 110 2HG PRO 20 1HG PRO 20 -8.639 5.206 -2.147 111 1HD PRO 20 2HD PRO 20 -6.359 6.063 -0.682 112 2HD PRO 20 1HD PRO 20 -8.063 6.303 -0.251 113 H VAL 21 H VAL 21 -4.866 3.909 0.992 114 HA VAL 21 HA VAL 21 -3.320 2.190 -0.852 115 HB VAL 21 HB VAL 21 -1.474 3.889 -0.757 116 1HG1 VAL 21 1HG1 VAL 21 -3.807 5.209 -2.042 117 2HG1 VAL 21 2HG1 VAL 21 -3.373 3.582 -2.565 118 3HG1 VAL 21 3HG1 VAL 21 -2.195 4.890 -2.682 119 1HG2 VAL 21 1HG2 VAL 21 -2.474 5.100 1.229 120 2HG2 VAL 21 2HG2 VAL 21 -3.603 5.833 0.089 121 3HG2 VAL 21 3HG2 VAL 21 -1.870 6.111 -0.084 122 H CYS 22 H CYS 22 -0.912 2.104 -0.026 123 HA CYS 22 HA CYS 22 -1.036 1.525 2.863 124 1HB CYS 22 2HB CYS 22 0.359 0.021 0.649 125 2HB CYS 22 1HB CYS 22 0.663 -0.271 2.359 126 H THR 23 H THR 23 0.655 2.111 4.137 127 HA THR 23 HA THR 23 2.905 3.497 2.845 128 HB THR 23 HB THR 23 2.816 5.110 4.837 129 HG1 THR 23 HG1 THR 23 1.135 3.704 5.878 130 1HG2 THR 23 1HG2 THR 23 1.197 5.081 2.398 131 2HG2 THR 23 2HG2 THR 23 2.216 6.357 3.067 132 3HG2 THR 23 3HG2 THR 23 0.566 6.149 3.654 133 H ARG 24 H ARG 24 4.880 3.249 3.834 134 HA ARG 24 HA ARG 24 4.950 1.699 6.333 135 1HB ARG 24 2HB ARG 24 5.387 0.134 4.517 136 2HB ARG 24 1HB ARG 24 6.607 1.206 3.847 137 1HG ARG 24 2HG ARG 24 8.032 0.844 5.766 138 2HG ARG 24 1HG ARG 24 6.786 -0.145 6.533 139 1HD ARG 24 2HD ARG 24 6.983 -1.830 4.860 140 2HD ARG 24 1HD ARG 24 8.001 -0.800 3.857 141 HE ARG 24 HE ARG 24 9.796 -1.538 5.030 142 1HH1 ARG 24 1HH1 ARG 24 6.956 -2.078 7.020 143 2HH1 ARG 24 2HH1 ARG 24 7.846 -2.848 8.291 144 1HH2 ARG 24 1HH2 ARG 24 10.959 -2.563 6.708 145 2HH2 ARG 24 2HH2 ARG 24 10.121 -3.128 8.113 146 H ASN 25 H ASN 25 6.199 2.606 7.820 147 HA ASN 25 HA ASN 25 7.596 4.053 8.873 148 1HB ASN 25 2HB ASN 25 9.249 2.687 7.476 149 2HB ASN 25 1HB ASN 25 9.281 4.052 6.367 150 1HD2 ASN 25 1HD2 ASN 25 10.883 5.411 6.691 151 2HD2 ASN 25 2HD2 ASN 25 11.669 5.722 8.195 152 H GLY 26 H GLY 26 5.397 5.152 7.492 153 1HA GLY 26 2HA GLY 26 4.549 7.251 7.093 154 2HA GLY 26 1HA GLY 26 6.133 7.903 7.479 155 H LEU 27 H LEU 27 6.056 5.512 5.014 156 HA LEU 27 HA LEU 27 6.061 7.592 2.936 157 1HB LEU 27 2HB LEU 27 8.375 6.885 3.501 158 2HB LEU 27 1HB LEU 27 7.943 5.234 3.102 159 HG LEU 27 HG LEU 27 7.454 6.022 0.761 160 1HD1 LEU 27 1HD1 LEU 27 8.619 8.165 0.133 161 2HD1 LEU 27 2HD1 LEU 27 8.678 8.542 1.855 162 3HD1 LEU 27 3HD1 LEU 27 7.123 8.346 1.048 163 1HD2 LEU 27 1HD2 LEU 27 9.595 5.598 0.116 164 2HD2 LEU 27 2HD2 LEU 27 9.700 5.077 1.798 165 3HD2 LEU 27 3HD2 LEU 27 10.293 6.671 1.329 166 HA PRO 28 HA PRO 28 2.943 4.894 1.283 167 1HB PRO 28 2HB PRO 28 3.460 6.187 -1.290 168 2HB PRO 28 1HB PRO 28 1.977 6.136 -0.341 169 1HG PRO 28 2HG PRO 28 3.471 8.382 -0.585 170 2HG PRO 28 1HG PRO 28 2.515 8.015 0.860 171 1HD PRO 28 2HD PRO 28 5.454 7.811 0.427 172 2HD PRO 28 1HD PRO 28 4.553 8.226 1.899 173 H VAL 29 H VAL 29 2.938 3.006 0.262 174 HA VAL 29 HA VAL 29 5.464 2.085 -0.852 175 HB VAL 29 HB VAL 29 2.951 0.479 -0.286 176 1HG1 VAL 29 1HG1 VAL 29 5.650 -0.746 -0.364 177 2HG1 VAL 29 2HG1 VAL 29 4.957 -0.254 -1.909 178 3HG1 VAL 29 3HG1 VAL 29 4.094 -1.395 -0.879 179 1HG2 VAL 29 1HG2 VAL 29 4.895 1.590 1.500 180 2HG2 VAL 29 2HG2 VAL 29 5.012 -0.171 1.516 181 3HG2 VAL 29 3HG2 VAL 29 3.471 0.615 1.866 Start of MODEL 15 1 H ALA 1 H ALA 1 5.002 2.961 -3.396 2 HA ALA 1 HA ALA 1 2.611 3.486 -4.802 3 1HB ALA 1 1HB ALA 1 4.133 4.361 -6.157 4 2HB ALA 1 2HB ALA 1 4.532 2.726 -6.683 5 3HB ALA 1 3HB ALA 1 5.430 3.470 -5.359 6 H GLY 2 H GLY 2 1.209 2.191 -5.783 7 1HA GLY 2 2HA GLY 2 0.546 0.320 -7.060 8 2HA GLY 2 1HA GLY 2 1.990 -0.525 -6.522 9 H GLU 3 H GLU 3 1.685 -0.001 -3.750 10 HA GLU 3 HA GLU 3 -0.096 -2.125 -3.083 11 1HB GLU 3 2HB GLU 3 1.514 -0.219 -1.390 12 2HB GLU 3 1HB GLU 3 0.524 -1.509 -0.719 13 1HG GLU 3 2HG GLU 3 2.543 -2.134 -2.786 14 2HG GLU 3 1HG GLU 3 3.061 -1.865 -1.127 15 H THR 4 H THR 4 -2.184 -1.975 -2.802 16 HA THR 4 HA THR 4 -3.276 0.592 -1.907 17 HB THR 4 HB THR 4 -5.457 -0.217 -2.860 18 HG1 THR 4 HG1 THR 4 -3.834 -1.977 -4.402 19 1HG2 THR 4 1HG2 THR 4 -4.372 0.044 -5.345 20 2HG2 THR 4 2HG2 THR 4 -3.094 0.724 -4.337 21 3HG2 THR 4 3HG2 THR 4 -4.725 1.391 -4.262 22 H CYS 5 H CYS 5 -4.881 0.561 -0.344 23 HA CYS 5 HA CYS 5 -5.038 -1.971 1.152 24 1HB CYS 5 2HB CYS 5 -3.709 -0.075 2.235 25 2HB CYS 5 1HB CYS 5 -5.245 0.771 2.405 26 H VAL 6 H VAL 6 -6.799 -1.349 -0.884 27 HA VAL 6 HA VAL 6 -9.169 -0.089 -0.005 28 HB VAL 6 HB VAL 6 -8.963 -2.268 -2.089 29 1HG1 VAL 6 1HG1 VAL 6 -10.866 -0.284 -2.745 30 2HG1 VAL 6 2HG1 VAL 6 -11.157 -0.766 -1.074 31 3HG1 VAL 6 3HG1 VAL 6 -11.146 -1.981 -2.353 32 1HG2 VAL 6 1HG2 VAL 6 -9.089 0.377 -3.183 33 2HG2 VAL 6 2HG2 VAL 6 -7.878 -0.878 -3.440 34 3HG2 VAL 6 3HG2 VAL 6 -7.711 0.246 -2.091 35 H GLY 7 H GLY 7 -8.074 -3.439 0.047 36 1HA GLY 7 2HA GLY 7 -10.507 -4.299 1.410 37 2HA GLY 7 1HA GLY 7 -9.213 -5.332 0.833 38 H GLY 8 H GLY 8 -7.927 -2.752 2.397 39 1HA GLY 8 2HA GLY 8 -7.068 -2.370 4.506 40 2HA GLY 8 1HA GLY 8 -8.184 -3.578 5.109 41 H THR 9 H THR 9 -5.936 -4.273 2.586 42 HA THR 9 HA THR 9 -4.079 -5.589 4.410 43 HB THR 9 HB THR 9 -4.116 -7.646 2.925 44 HG1 THR 9 HG1 THR 9 -5.447 -6.487 1.290 45 1HG2 THR 9 1HG2 THR 9 -6.687 -8.050 3.968 46 2HG2 THR 9 2HG2 THR 9 -5.908 -6.902 5.057 47 3HG2 THR 9 3HG2 THR 9 -5.149 -8.459 4.727 48 H CYS 10 H CYS 10 -2.013 -5.759 3.615 49 HA CYS 10 HA CYS 10 -1.534 -4.760 0.882 50 1HB CYS 10 2HB CYS 10 0.367 -4.375 3.190 51 2HB CYS 10 1HB CYS 10 0.445 -3.641 1.602 52 H ASN 11 H ASN 11 0.694 -5.401 0.120 53 HA ASN 11 HA ASN 11 1.067 -8.257 0.667 54 1HB ASN 11 2HB ASN 11 0.828 -7.451 -1.700 55 2HB ASN 11 1HB ASN 11 2.317 -6.537 -1.498 56 1HD2 ASN 11 1HD2 ASN 11 1.017 -9.363 -2.586 57 2HD2 ASN 11 2HD2 ASN 11 2.442 -10.336 -2.622 58 H THR 12 H THR 12 2.571 -5.140 0.854 59 HA THR 12 HA THR 12 5.212 -5.931 1.464 60 HB THR 12 HB THR 12 3.829 -3.420 2.426 61 HG1 THR 12 HG1 THR 12 3.544 -3.674 0.157 62 1HG2 THR 12 1HG2 THR 12 6.614 -4.369 2.310 63 2HG2 THR 12 2HG2 THR 12 5.867 -3.169 3.364 64 3HG2 THR 12 3HG2 THR 12 6.356 -2.725 1.728 65 HA PRO 13 HA PRO 13 4.430 -7.604 5.534 66 1HB PRO 13 2HB PRO 13 7.347 -7.544 5.823 67 2HB PRO 13 1HB PRO 13 6.248 -8.925 5.845 68 1HG PRO 13 2HG PRO 13 7.937 -8.441 3.801 69 2HG PRO 13 1HG PRO 13 6.367 -9.225 3.575 70 1HD PRO 13 2HD PRO 13 7.189 -6.414 2.994 71 2HD PRO 13 1HD PRO 13 6.073 -7.473 2.107 72 H GLY 14 H GLY 14 3.979 -6.514 7.281 73 1HA GLY 14 2HA GLY 14 4.075 -4.998 9.007 74 2HA GLY 14 1HA GLY 14 5.764 -4.739 8.595 75 H ALA 15 H ALA 15 2.995 -4.238 6.469 76 HA ALA 15 HA ALA 15 3.818 -1.452 6.165 77 1HB ALA 15 1HB ALA 15 3.556 -2.077 4.025 78 2HB ALA 15 2HB ALA 15 1.841 -1.798 4.334 79 3HB ALA 15 3HB ALA 15 2.505 -3.429 4.443 80 H THR 16 H THR 16 2.460 0.259 6.484 81 HA THR 16 HA THR 16 0.220 -0.205 8.280 82 HB THR 16 HB THR 16 1.084 2.510 7.369 83 HG1 THR 16 HG1 THR 16 2.628 0.656 8.719 84 1HG2 THR 16 1HG2 THR 16 -0.172 1.299 9.796 85 2HG2 THR 16 2HG2 THR 16 -0.683 2.697 8.850 86 3HG2 THR 16 3HG2 THR 16 0.701 2.826 9.936 87 H CYS 17 H CYS 17 -1.869 0.645 7.848 88 HA CYS 17 HA CYS 17 -2.495 0.689 5.009 89 1HB CYS 17 2HB CYS 17 -3.786 -0.796 6.505 90 2HB CYS 17 1HB CYS 17 -4.367 0.616 7.380 91 H SER 18 H SER 18 -3.239 2.379 3.923 92 HA SER 18 HA SER 18 -4.083 4.797 5.313 93 1HB SER 18 2HB SER 18 -1.913 4.711 3.202 94 2HB SER 18 1HB SER 18 -2.632 6.185 3.848 95 HG SER 18 HG SER 18 -1.895 4.825 5.940 96 H TRP 19 H TRP 19 -5.933 3.421 4.456 97 HA TRP 19 HA TRP 19 -6.739 2.830 2.034 98 1HB TRP 19 2HB TRP 19 -8.093 3.056 4.274 99 2HB TRP 19 1HB TRP 19 -8.652 4.559 3.547 100 HD1 TRP 19 HD1 TRP 19 -8.966 0.786 3.243 101 HE1 TRP 19 HE1 TRP 19 -10.841 0.216 1.576 102 HE3 TRP 19 HE3 TRP 19 -9.884 5.474 1.436 103 HZ2 TRP 19 HZ2 TRP 19 -12.494 1.576 -0.259 104 HZ3 TRP 19 HZ3 TRP 19 -11.633 5.757 -0.275 105 HH2 TRP 19 HH2 TRP 19 -12.909 3.847 -1.105 106 HA PRO 20 HA PRO 20 -7.405 2.574 0.471 107 1HB PRO 20 2HB PRO 20 -7.589 2.710 -2.151 108 2HB PRO 20 1HB PRO 20 -8.874 3.350 -1.126 109 1HG PRO 20 2HG PRO 20 -6.805 4.807 -2.685 110 2HG PRO 20 1HG PRO 20 -8.466 5.286 -2.300 111 1HD PRO 20 2HD PRO 20 -6.076 6.047 -0.937 112 2HD PRO 20 1HD PRO 20 -7.748 6.431 -0.482 113 H VAL 21 H VAL 21 -4.687 3.874 0.832 114 HA VAL 21 HA VAL 21 -3.236 2.054 -0.986 115 HB VAL 21 HB VAL 21 -1.320 3.707 -0.943 116 1HG1 VAL 21 1HG1 VAL 21 -3.880 4.073 -2.432 117 2HG1 VAL 21 2HG1 VAL 21 -2.307 3.529 -3.015 118 3HG1 VAL 21 3HG1 VAL 21 -2.574 5.236 -2.663 119 1HG2 VAL 21 1HG2 VAL 21 -3.127 5.131 0.717 120 2HG2 VAL 21 2HG2 VAL 21 -2.875 6.070 -0.755 121 3HG2 VAL 21 3HG2 VAL 21 -1.494 5.580 0.225 122 H CYS 22 H CYS 22 -0.916 1.662 -0.239 123 HA CYS 22 HA CYS 22 -1.012 1.219 2.671 124 1HB CYS 22 2HB CYS 22 0.534 -0.143 0.477 125 2HB CYS 22 1HB CYS 22 0.752 -0.497 2.183 126 H THR 23 H THR 23 0.769 1.722 3.973 127 HA THR 23 HA THR 23 2.882 3.331 2.715 128 HB THR 23 HB THR 23 2.824 4.791 4.812 129 HG1 THR 23 HG1 THR 23 0.158 4.488 5.199 130 1HG2 THR 23 1HG2 THR 23 2.039 6.163 3.226 131 2HG2 THR 23 2HG2 THR 23 0.426 5.755 3.812 132 3HG2 THR 23 3HG2 THR 23 1.120 4.872 2.453 133 H ARG 24 H ARG 24 4.825 3.501 4.038 134 HA ARG 24 HA ARG 24 5.049 1.676 6.276 135 1HB ARG 24 2HB ARG 24 5.511 0.469 3.984 136 2HB ARG 24 1HB ARG 24 7.051 1.314 4.078 137 1HG ARG 24 2HG ARG 24 7.494 0.278 6.242 138 2HG ARG 24 1HG ARG 24 5.945 -0.565 6.155 139 1HD ARG 24 2HD ARG 24 6.784 -1.551 3.968 140 2HD ARG 24 1HD ARG 24 8.372 -0.934 4.420 141 HE ARG 24 HE ARG 24 7.122 -3.278 5.397 142 1HH1 ARG 24 1HH1 ARG 24 9.142 -0.620 6.492 143 2HH1 ARG 24 2HH1 ARG 24 9.858 -1.538 7.772 144 1HH2 ARG 24 1HH2 ARG 24 8.054 -4.472 7.073 145 2HH2 ARG 24 2HH2 ARG 24 9.242 -3.739 8.106 146 H ASN 25 H ASN 25 6.385 2.502 7.740 147 HA ASN 25 HA ASN 25 7.799 3.926 8.792 148 1HB ASN 25 2HB ASN 25 9.193 3.808 6.111 149 2HB ASN 25 1HB ASN 25 9.859 4.649 7.506 150 1HD2 ASN 25 1HD2 ASN 25 11.281 3.534 8.598 151 2HD2 ASN 25 2HD2 ASN 25 11.344 1.815 8.745 152 H GLY 26 H GLY 26 5.453 4.970 7.479 153 1HA GLY 26 2HA GLY 26 4.478 7.054 7.343 154 2HA GLY 26 1HA GLY 26 6.040 7.761 7.729 155 H LEU 27 H LEU 27 6.001 5.576 5.094 156 HA LEU 27 HA LEU 27 5.869 7.812 3.181 157 1HB LEU 27 2HB LEU 27 7.786 5.475 3.148 158 2HB LEU 27 1HB LEU 27 7.622 6.654 1.862 159 HG LEU 27 HG LEU 27 8.529 7.287 4.672 160 1HD1 LEU 27 1HD1 LEU 27 10.483 7.737 2.625 161 2HD1 LEU 27 2HD1 LEU 27 9.940 6.060 2.582 162 3HD1 LEU 27 3HD1 LEU 27 10.592 6.737 4.073 163 1HD2 LEU 27 1HD2 LEU 27 9.312 9.399 3.377 164 2HD2 LEU 27 2HD2 LEU 27 7.629 9.269 3.887 165 3HD2 LEU 27 3HD2 LEU 27 8.071 8.928 2.214 166 HA PRO 28 HA PRO 28 2.739 5.249 1.389 167 1HB PRO 28 2HB PRO 28 3.126 6.741 -1.083 168 2HB PRO 28 1HB PRO 28 1.715 6.664 -0.031 169 1HG PRO 28 2HG PRO 28 3.286 8.875 -0.235 170 2HG PRO 28 1HG PRO 28 2.385 8.454 1.230 171 1HD PRO 28 2HD PRO 28 5.291 8.155 0.639 172 2HD PRO 28 1HD PRO 28 4.480 8.528 2.172 173 H VAL 29 H VAL 29 2.682 3.464 0.206 174 HA VAL 29 HA VAL 29 5.105 2.749 -1.282 175 HB VAL 29 HB VAL 29 2.908 0.891 -0.312 176 1HG1 VAL 29 1HG1 VAL 29 4.654 -0.843 -0.700 177 2HG1 VAL 29 2HG1 VAL 29 5.671 0.397 -1.434 178 3HG1 VAL 29 3HG1 VAL 29 4.129 -0.032 -2.174 179 1HG2 VAL 29 1HG2 VAL 29 3.952 1.851 1.620 180 2HG2 VAL 29 2HG2 VAL 29 5.561 1.604 0.939 181 3HG2 VAL 29 3HG2 VAL 29 4.581 0.216 1.413 Start of MODEL 16 1 H ALA 1 H ALA 1 5.080 3.046 -3.283 2 HA ALA 1 HA ALA 1 2.660 3.413 -4.710 3 1HB ALA 1 1HB ALA 1 4.941 2.571 -6.319 4 2HB ALA 1 2HB ALA 1 5.310 3.896 -5.215 5 3HB ALA 1 3HB ALA 1 3.996 4.059 -6.380 6 H GLY 2 H GLY 2 1.361 2.004 -5.697 7 1HA GLY 2 2HA GLY 2 0.838 0.033 -6.888 8 2HA GLY 2 1HA GLY 2 2.300 -0.707 -6.253 9 H GLU 3 H GLU 3 1.871 -0.038 -3.530 10 HA GLU 3 HA GLU 3 0.143 -2.197 -2.808 11 1HB GLU 3 2HB GLU 3 1.628 -0.168 -1.143 12 2HB GLU 3 1HB GLU 3 0.690 -1.495 -0.469 13 1HG GLU 3 2HG GLU 3 2.892 -1.944 -2.416 14 2HG GLU 3 1HG GLU 3 3.197 -1.802 -0.689 15 H THR 4 H THR 4 -1.944 -2.107 -2.534 16 HA THR 4 HA THR 4 -3.133 0.463 -1.782 17 HB THR 4 HB THR 4 -5.268 -0.466 -2.766 18 HG1 THR 4 HG1 THR 4 -3.515 -2.187 -4.207 19 1HG2 THR 4 1HG2 THR 4 -4.508 1.181 -4.132 20 2HG2 THR 4 2HG2 THR 4 -4.214 -0.175 -5.221 21 3HG2 THR 4 3HG2 THR 4 -2.893 0.482 -4.255 22 H CYS 5 H CYS 5 -4.842 0.410 -0.288 23 HA CYS 5 HA CYS 5 -4.947 -2.082 1.277 24 1HB CYS 5 2HB CYS 5 -3.691 -0.160 2.370 25 2HB CYS 5 1HB CYS 5 -5.231 0.692 2.446 26 H VAL 6 H VAL 6 -6.655 -1.487 -0.834 27 HA VAL 6 HA VAL 6 -9.089 -0.307 -0.022 28 HB VAL 6 HB VAL 6 -8.769 -2.469 -2.108 29 1HG1 VAL 6 1HG1 VAL 6 -10.824 -0.289 -1.770 30 2HG1 VAL 6 2HG1 VAL 6 -11.077 -2.016 -1.523 31 3HG1 VAL 6 3HG1 VAL 6 -10.728 -1.399 -3.138 32 1HG2 VAL 6 1HG2 VAL 6 -7.172 -0.623 -2.470 33 2HG2 VAL 6 2HG2 VAL 6 -8.521 0.514 -2.476 34 3HG2 VAL 6 3HG2 VAL 6 -8.398 -0.716 -3.734 35 H GLY 7 H GLY 7 -7.887 -3.619 0.037 36 1HA GLY 7 2HA GLY 7 -10.331 -4.607 1.267 37 2HA GLY 7 1HA GLY 7 -8.931 -5.559 0.810 38 H GLY 8 H GLY 8 -7.934 -2.885 2.421 39 1HA GLY 8 2HA GLY 8 -7.320 -2.411 4.601 40 2HA GLY 8 1HA GLY 8 -8.340 -3.738 5.121 41 H THR 9 H THR 9 -6.007 -4.429 2.733 42 HA THR 9 HA THR 9 -4.004 -5.321 4.652 43 HB THR 9 HB THR 9 -3.887 -7.563 3.467 44 HG1 THR 9 HG1 THR 9 -5.383 -6.762 1.751 45 1HG2 THR 9 1HG2 THR 9 -4.895 -7.163 5.756 46 2HG2 THR 9 2HG2 THR 9 -5.457 -8.605 4.911 47 3HG2 THR 9 3HG2 THR 9 -6.472 -7.163 4.964 48 H CYS 10 H CYS 10 -1.955 -5.401 3.814 49 HA CYS 10 HA CYS 10 -1.650 -4.526 1.019 50 1HB CYS 10 2HB CYS 10 0.463 -4.347 3.150 51 2HB CYS 10 1HB CYS 10 0.427 -3.538 1.596 52 H ASN 11 H ASN 11 0.345 -5.246 -0.020 53 HA ASN 11 HA ASN 11 0.621 -8.126 0.230 54 1HB ASN 11 2HB ASN 11 0.521 -7.462 -2.013 55 2HB ASN 11 1HB ASN 11 1.510 -6.035 -1.737 56 1HD2 ASN 11 1HD2 ASN 11 3.558 -6.114 -2.250 57 2HD2 ASN 11 2HD2 ASN 11 4.449 -7.551 -2.633 58 H THR 12 H THR 12 2.457 -5.191 0.700 59 HA THR 12 HA THR 12 4.927 -6.484 1.358 60 HB THR 12 HB THR 12 3.984 -3.652 1.870 61 HG1 THR 12 HG1 THR 12 4.263 -4.346 -0.375 62 1HG2 THR 12 1HG2 THR 12 6.035 -4.834 3.190 63 2HG2 THR 12 2HG2 THR 12 5.981 -3.118 2.787 64 3HG2 THR 12 3HG2 THR 12 6.870 -4.239 1.755 65 HA PRO 13 HA PRO 13 3.685 -7.685 5.474 66 1HB PRO 13 2HB PRO 13 6.553 -8.207 5.859 67 2HB PRO 13 1HB PRO 13 5.188 -9.323 5.947 68 1HG PRO 13 2HG PRO 13 6.952 -9.375 3.920 69 2HG PRO 13 1HG PRO 13 5.243 -9.779 3.693 70 1HD PRO 13 2HD PRO 13 6.710 -7.266 3.003 71 2HD PRO 13 1HD PRO 13 5.421 -8.101 2.113 72 H GLY 14 H GLY 14 3.497 -6.535 7.257 73 1HA GLY 14 2HA GLY 14 3.950 -5.067 8.973 74 2HA GLY 14 1HA GLY 14 5.607 -4.985 8.400 75 H ALA 15 H ALA 15 2.980 -4.261 6.246 76 HA ALA 15 HA ALA 15 3.922 -1.506 6.077 77 1HB ALA 15 1HB ALA 15 2.244 -1.477 4.119 78 2HB ALA 15 2HB ALA 15 2.212 -3.230 4.317 79 3HB ALA 15 3HB ALA 15 3.728 -2.413 3.941 80 H THR 16 H THR 16 2.568 0.274 6.334 81 HA THR 16 HA THR 16 0.353 -0.150 8.168 82 HB THR 16 HB THR 16 1.197 2.550 7.200 83 HG1 THR 16 HG1 THR 16 2.747 0.718 8.629 84 1HG2 THR 16 1HG2 THR 16 0.769 3.104 9.599 85 2HG2 THR 16 2HG2 THR 16 0.267 1.431 9.844 86 3HG2 THR 16 3HG2 THR 16 -0.643 2.473 8.748 87 H CYS 17 H CYS 17 -1.734 0.660 7.781 88 HA CYS 17 HA CYS 17 -2.453 0.680 4.967 89 1HB CYS 17 2HB CYS 17 -3.699 -0.778 6.521 90 2HB CYS 17 1HB CYS 17 -4.234 0.645 7.409 91 H SER 18 H SER 18 -3.271 2.345 3.887 92 HA SER 18 HA SER 18 -4.081 4.783 5.249 93 1HB SER 18 2HB SER 18 -1.930 4.705 3.116 94 2HB SER 18 1HB SER 18 -2.635 6.171 3.795 95 HG SER 18 HG SER 18 -1.861 4.769 5.852 96 H TRP 19 H TRP 19 -5.919 3.368 4.402 97 HA TRP 19 HA TRP 19 -6.722 2.747 1.991 98 1HB TRP 19 2HB TRP 19 -8.079 3.006 4.237 99 2HB TRP 19 1HB TRP 19 -8.671 4.469 3.455 100 HD1 TRP 19 HD1 TRP 19 -8.875 0.678 3.262 101 HE1 TRP 19 HE1 TRP 19 -10.725 0.006 1.609 102 HE3 TRP 19 HE3 TRP 19 -9.934 5.285 1.323 103 HZ2 TRP 19 HZ2 TRP 19 -12.415 1.261 -0.267 104 HZ3 TRP 19 HZ3 TRP 19 -11.685 5.464 -0.398 105 HH2 TRP 19 HH2 TRP 19 -12.899 3.493 -1.176 106 HA PRO 20 HA PRO 20 -7.415 2.462 0.439 107 1HB PRO 20 2HB PRO 20 -7.582 2.545 -2.186 108 2HB PRO 20 1HB PRO 20 -8.872 3.218 -1.188 109 1HG PRO 20 2HG PRO 20 -6.750 4.627 -2.731 110 2HG PRO 20 1HG PRO 20 -8.429 5.111 -2.430 111 1HD PRO 20 2HD PRO 20 -6.118 5.952 -1.005 112 2HD PRO 20 1HD PRO 20 -7.812 6.280 -0.587 113 H VAL 21 H VAL 21 -4.705 3.848 0.755 114 HA VAL 21 HA VAL 21 -3.222 1.978 -0.988 115 HB VAL 21 HB VAL 21 -1.330 3.658 -0.976 116 1HG1 VAL 21 1HG1 VAL 21 -3.558 4.913 -2.465 117 2HG1 VAL 21 2HG1 VAL 21 -3.253 3.204 -2.780 118 3HG1 VAL 21 3HG1 VAL 21 -1.969 4.387 -3.027 119 1HG2 VAL 21 1HG2 VAL 21 -3.081 5.947 -0.784 120 2HG2 VAL 21 2HG2 VAL 21 -1.525 5.651 -0.011 121 3HG2 VAL 21 3HG2 VAL 21 -3.007 5.056 0.735 122 H CYS 22 H CYS 22 -0.815 1.818 -0.187 123 HA CYS 22 HA CYS 22 -0.973 1.428 2.734 124 1HB CYS 22 2HB CYS 22 0.545 -0.066 0.615 125 2HB CYS 22 1HB CYS 22 0.799 -0.314 2.335 126 H THR 23 H THR 23 0.854 1.876 4.007 127 HA THR 23 HA THR 23 2.928 3.512 2.725 128 HB THR 23 HB THR 23 2.911 4.903 4.882 129 HG1 THR 23 HG1 THR 23 0.220 4.526 5.219 130 1HG2 THR 23 1HG2 THR 23 1.037 5.028 2.602 131 2HG2 THR 23 2HG2 THR 23 2.185 6.229 3.196 132 3HG2 THR 23 3HG2 THR 23 0.622 6.034 3.990 133 H ARG 24 H ARG 24 4.885 3.712 4.038 134 HA ARG 24 HA ARG 24 5.233 1.792 6.177 135 1HB ARG 24 2HB ARG 24 5.632 0.497 4.077 136 2HB ARG 24 1HB ARG 24 6.914 1.623 3.666 137 1HG ARG 24 2HG ARG 24 7.729 -0.491 4.632 138 2HG ARG 24 1HG ARG 24 8.213 0.934 5.547 139 1HD ARG 24 2HD ARG 24 6.437 0.526 7.159 140 2HD ARG 24 1HD ARG 24 5.902 -0.875 6.230 141 HE ARG 24 HE ARG 24 8.188 -0.705 7.988 142 1HH1 ARG 24 1HH1 ARG 24 6.582 -2.497 5.456 143 2HH1 ARG 24 2HH1 ARG 24 7.456 -3.964 5.742 144 1HH2 ARG 24 1HH2 ARG 24 9.385 -2.634 8.362 145 2HH2 ARG 24 2HH2 ARG 24 9.076 -4.032 7.387 146 H ASN 25 H ASN 25 6.513 2.645 7.657 147 HA ASN 25 HA ASN 25 7.889 4.065 8.761 148 1HB ASN 25 2HB ASN 25 9.387 4.457 6.168 149 2HB ASN 25 1HB ASN 25 10.011 4.596 7.807 150 1HD2 ASN 25 1HD2 ASN 25 10.387 2.829 5.256 151 2HD2 ASN 25 2HD2 ASN 25 10.598 1.255 5.934 152 H GLY 26 H GLY 26 5.526 5.120 7.537 153 1HA GLY 26 2HA GLY 26 4.525 7.194 7.457 154 2HA GLY 26 1HA GLY 26 6.086 7.910 7.825 155 H LEU 27 H LEU 27 6.064 5.793 5.139 156 HA LEU 27 HA LEU 27 5.818 8.073 3.288 157 1HB LEU 27 2HB LEU 27 7.823 5.815 3.158 158 2HB LEU 27 1HB LEU 27 7.592 7.023 1.910 159 HG LEU 27 HG LEU 27 8.516 7.612 4.724 160 1HD1 LEU 27 1HD1 LEU 27 9.934 6.573 2.488 161 2HD1 LEU 27 2HD1 LEU 27 10.553 7.038 4.073 162 3HD1 LEU 27 3HD1 LEU 27 10.468 8.229 2.776 163 1HD2 LEU 27 1HD2 LEU 27 9.148 9.636 2.829 164 2HD2 LEU 27 2HD2 LEU 27 8.127 9.746 4.262 165 3HD2 LEU 27 3HD2 LEU 27 7.425 9.282 2.712 166 HA PRO 28 HA PRO 28 2.754 5.488 1.427 167 1HB PRO 28 2HB PRO 28 3.226 6.940 -1.061 168 2HB PRO 28 1HB PRO 28 1.774 6.864 -0.068 169 1HG PRO 28 2HG PRO 28 3.331 9.085 -0.236 170 2HG PRO 28 1HG PRO 28 2.375 8.674 1.197 171 1HD PRO 28 2HD PRO 28 5.306 8.419 0.737 172 2HD PRO 28 1HD PRO 28 4.420 8.770 2.234 173 H VAL 29 H VAL 29 2.723 3.676 0.269 174 HA VAL 29 HA VAL 29 5.181 2.957 -1.165 175 HB VAL 29 HB VAL 29 3.043 1.084 -0.088 176 1HG1 VAL 29 1HG1 VAL 29 5.727 0.662 -1.392 177 2HG1 VAL 29 2HG1 VAL 29 4.161 0.001 -1.863 178 3HG1 VAL 29 3HG1 VAL 29 4.959 -0.575 -0.399 179 1HG2 VAL 29 1HG2 VAL 29 3.953 1.714 1.887 180 2HG2 VAL 29 2HG2 VAL 29 5.449 2.288 1.147 181 3HG2 VAL 29 3HG2 VAL 29 5.203 0.561 1.415 Start of MODEL 17 1 H ALA 1 H ALA 1 5.406 2.484 -3.084 2 HA ALA 1 HA ALA 1 3.253 3.253 -4.704 3 1HB ALA 1 1HB ALA 1 5.947 3.191 -5.005 4 2HB ALA 1 2HB ALA 1 4.799 3.497 -6.309 5 3HB ALA 1 3HB ALA 1 5.451 1.876 -6.071 6 H GLY 2 H GLY 2 1.667 2.152 -5.611 7 1HA GLY 2 2HA GLY 2 0.630 0.413 -6.758 8 2HA GLY 2 1HA GLY 2 2.025 -0.601 -6.433 9 H GLU 3 H GLU 3 1.949 -0.028 -3.552 10 HA GLU 3 HA GLU 3 0.200 -2.148 -2.811 11 1HB GLU 3 2HB GLU 3 2.409 -1.552 -1.718 12 2HB GLU 3 1HB GLU 3 1.569 -0.220 -0.946 13 1HG GLU 3 2HG GLU 3 1.716 -2.069 0.566 14 2HG GLU 3 1HG GLU 3 0.035 -1.816 0.101 15 H THR 4 H THR 4 -1.903 -1.947 -2.637 16 HA THR 4 HA THR 4 -2.979 0.579 -1.622 17 HB THR 4 HB THR 4 -5.142 -0.138 -2.705 18 HG1 THR 4 HG1 THR 4 -3.417 -1.901 -4.144 19 1HG2 THR 4 1HG2 THR 4 -4.182 1.583 -3.874 20 2HG2 THR 4 2HG2 THR 4 -4.111 0.320 -5.104 21 3HG2 THR 4 3HG2 THR 4 -2.678 0.703 -4.150 22 H CYS 5 H CYS 5 -4.773 0.487 -0.193 23 HA CYS 5 HA CYS 5 -4.926 -2.077 1.252 24 1HB CYS 5 2HB CYS 5 -3.794 -0.202 2.498 25 2HB CYS 5 1HB CYS 5 -5.321 0.672 2.454 26 H VAL 6 H VAL 6 -6.539 -1.418 -0.940 27 HA VAL 6 HA VAL 6 -9.058 -0.381 -0.170 28 HB VAL 6 HB VAL 6 -8.559 -2.364 -2.393 29 1HG1 VAL 6 1HG1 VAL 6 -10.698 -2.107 -2.912 30 2HG1 VAL 6 2HG1 VAL 6 -10.511 -0.354 -2.964 31 3HG1 VAL 6 3HG1 VAL 6 -10.910 -1.153 -1.444 32 1HG2 VAL 6 1HG2 VAL 6 -7.523 0.271 -2.090 33 2HG2 VAL 6 2HG2 VAL 6 -8.722 0.282 -3.384 34 3HG2 VAL 6 3HG2 VAL 6 -7.356 -0.831 -3.458 35 H GLY 7 H GLY 7 -7.661 -3.601 -0.180 36 1HA GLY 7 2HA GLY 7 -10.116 -4.863 0.693 37 2HA GLY 7 1HA GLY 7 -8.565 -5.643 0.456 38 H GLY 8 H GLY 8 -8.057 -2.958 2.236 39 1HA GLY 8 2HA GLY 8 -7.966 -2.482 4.512 40 2HA GLY 8 1HA GLY 8 -8.802 -3.993 4.828 41 H THR 9 H THR 9 -6.284 -4.716 2.824 42 HA THR 9 HA THR 9 -4.251 -4.896 4.902 43 HB THR 9 HB THR 9 -3.859 -7.338 4.271 44 HG1 THR 9 HG1 THR 9 -5.718 -6.930 2.565 45 1HG2 THR 9 1HG2 THR 9 -4.633 -7.546 6.352 46 2HG2 THR 9 2HG2 THR 9 -6.235 -7.804 5.660 47 3HG2 THR 9 3HG2 THR 9 -5.733 -6.183 6.143 48 H CYS 10 H CYS 10 -2.185 -4.953 4.113 49 HA CYS 10 HA CYS 10 -1.891 -4.571 1.221 50 1HB CYS 10 2HB CYS 10 0.349 -4.192 3.163 51 2HB CYS 10 1HB CYS 10 0.067 -3.394 1.630 52 H ASN 11 H ASN 11 -0.006 -5.504 0.183 53 HA ASN 11 HA ASN 11 0.343 -8.289 0.986 54 1HB ASN 11 2HB ASN 11 1.112 -6.754 -1.500 55 2HB ASN 11 1HB ASN 11 1.643 -8.405 -1.213 56 1HD2 ASN 11 1HD2 ASN 11 -1.358 -7.979 0.159 57 2HD2 ASN 11 2HD2 ASN 11 -2.328 -8.593 -1.131 58 H THR 12 H THR 12 2.139 -5.315 0.637 59 HA THR 12 HA THR 12 4.739 -6.352 1.022 60 HB THR 12 HB THR 12 3.636 -3.591 1.593 61 HG1 THR 12 HG1 THR 12 3.534 -4.148 -0.607 62 1HG2 THR 12 1HG2 THR 12 6.469 -4.616 1.542 63 2HG2 THR 12 2HG2 THR 12 5.647 -3.754 2.843 64 3HG2 THR 12 3HG2 THR 12 6.063 -2.911 1.351 65 HA PRO 13 HA PRO 13 4.457 -7.501 5.310 66 1HB PRO 13 2HB PRO 13 7.403 -7.419 5.195 67 2HB PRO 13 1HB PRO 13 6.330 -8.761 5.599 68 1HG PRO 13 2HG PRO 13 7.663 -8.671 3.280 69 2HG PRO 13 1HG PRO 13 6.040 -9.369 3.394 70 1HD PRO 13 2HD PRO 13 6.895 -6.707 2.333 71 2HD PRO 13 1HD PRO 13 5.634 -7.807 1.741 72 H GLY 14 H GLY 14 4.292 -6.318 7.058 73 1HA GLY 14 2HA GLY 14 4.615 -4.682 8.634 74 2HA GLY 14 1HA GLY 14 6.193 -4.395 7.918 75 H ALA 15 H ALA 15 3.216 -4.145 6.085 76 HA ALA 15 HA ALA 15 3.769 -1.294 5.728 77 1HB ALA 15 1HB ALA 15 3.224 -1.615 3.601 78 2HB ALA 15 2HB ALA 15 1.635 -2.225 4.065 79 3HB ALA 15 3HB ALA 15 3.004 -3.331 3.945 80 H THR 16 H THR 16 2.408 0.255 6.374 81 HA THR 16 HA THR 16 0.176 -0.514 8.071 82 HB THR 16 HB THR 16 0.940 2.327 7.542 83 HG1 THR 16 HG1 THR 16 2.579 0.376 8.575 84 1HG2 THR 16 1HG2 THR 16 0.055 2.744 9.638 85 2HG2 THR 16 2HG2 THR 16 0.366 1.105 10.209 86 3HG2 THR 16 3HG2 THR 16 -0.961 1.412 9.087 87 H CYS 17 H CYS 17 -1.927 0.248 7.740 88 HA CYS 17 HA CYS 17 -2.655 0.508 4.971 89 1HB CYS 17 2HB CYS 17 -3.960 -0.897 6.541 90 2HB CYS 17 1HB CYS 17 -4.424 0.554 7.422 91 H SER 18 H SER 18 -3.360 2.241 3.924 92 HA SER 18 HA SER 18 -4.020 4.701 5.333 93 1HB SER 18 2HB SER 18 -1.908 4.538 3.166 94 2HB SER 18 1HB SER 18 -2.505 6.025 3.902 95 HG SER 18 HG SER 18 -1.772 4.478 5.887 96 H TRP 19 H TRP 19 -5.907 3.318 4.449 97 HA TRP 19 HA TRP 19 -6.722 2.834 2.006 98 1HB TRP 19 2HB TRP 19 -8.065 3.024 4.296 99 2HB TRP 19 1HB TRP 19 -8.693 4.473 3.511 100 HD1 TRP 19 HD1 TRP 19 -8.736 0.673 3.258 101 HE1 TRP 19 HE1 TRP 19 -10.549 -0.046 1.582 102 HE3 TRP 19 HE3 TRP 19 -10.009 5.270 1.423 103 HZ2 TRP 19 HZ2 TRP 19 -12.287 1.168 -0.272 104 HZ3 TRP 19 HZ3 TRP 19 -11.761 5.405 -0.301 105 HH2 TRP 19 HH2 TRP 19 -12.876 3.396 -1.130 106 HA PRO 20 HA PRO 20 -7.556 2.647 0.479 107 1HB PRO 20 2HB PRO 20 -7.633 2.822 -2.152 108 2HB PRO 20 1HB PRO 20 -8.925 3.508 -1.166 109 1HG PRO 20 2HG PRO 20 -6.681 4.892 -2.561 110 2HG PRO 20 1HG PRO 20 -8.363 5.410 -2.354 111 1HD PRO 20 2HD PRO 20 -6.163 6.205 -0.784 112 2HD PRO 20 1HD PRO 20 -7.876 6.458 -0.399 113 H VAL 21 H VAL 21 -4.758 3.996 0.803 114 HA VAL 21 HA VAL 21 -3.372 2.021 -0.896 115 HB VAL 21 HB VAL 21 -1.395 3.558 -0.936 116 1HG1 VAL 21 1HG1 VAL 21 -2.341 5.022 -2.716 117 2HG1 VAL 21 2HG1 VAL 21 -3.948 4.444 -2.274 118 3HG1 VAL 21 3HG1 VAL 21 -2.747 3.316 -2.904 119 1HG2 VAL 21 1HG2 VAL 21 -1.387 5.445 0.225 120 2HG2 VAL 21 2HG2 VAL 21 -3.007 5.080 0.819 121 3HG2 VAL 21 3HG2 VAL 21 -2.801 6.018 -0.661 122 H CYS 22 H CYS 22 -0.848 2.136 -0.010 123 HA CYS 22 HA CYS 22 -1.046 1.625 2.886 124 1HB CYS 22 2HB CYS 22 0.296 -0.049 0.762 125 2HB CYS 22 1HB CYS 22 0.618 -0.244 2.483 126 H THR 23 H THR 23 0.770 2.082 4.131 127 HA THR 23 HA THR 23 3.009 3.416 2.767 128 HB THR 23 HB THR 23 3.075 5.097 4.633 129 HG1 THR 23 HG1 THR 23 0.377 4.688 5.199 130 1HG2 THR 23 1HG2 THR 23 0.953 4.966 2.563 131 2HG2 THR 23 2HG2 THR 23 2.223 6.163 2.810 132 3HG2 THR 23 3HG2 THR 23 0.770 6.200 3.810 133 H ARG 24 H ARG 24 4.919 3.629 4.192 134 HA ARG 24 HA ARG 24 4.989 1.918 6.525 135 1HB ARG 24 2HB ARG 24 5.435 0.381 4.605 136 2HB ARG 24 1HB ARG 24 6.828 1.370 4.185 137 1HG ARG 24 2HG ARG 24 7.970 0.774 6.165 138 2HG ARG 24 1HG ARG 24 6.519 0.060 6.871 139 1HD ARG 24 2HD ARG 24 7.995 -1.690 6.110 140 2HD ARG 24 1HD ARG 24 6.544 -1.664 5.111 141 HE ARG 24 HE ARG 24 8.521 -0.097 3.883 142 1HH1 ARG 24 1HH1 ARG 24 7.799 -3.444 4.612 143 2HH1 ARG 24 2HH1 ARG 24 8.713 -4.067 3.278 144 1HH2 ARG 24 1HH2 ARG 24 9.731 -0.915 2.111 145 2HH2 ARG 24 2HH2 ARG 24 9.815 -2.625 1.852 146 H ASN 25 H ASN 25 6.179 2.874 8.004 147 HA ASN 25 HA ASN 25 7.576 4.311 9.057 148 1HB ASN 25 2HB ASN 25 9.260 2.945 7.699 149 2HB ASN 25 1HB ASN 25 9.295 4.297 6.573 150 1HD2 ASN 25 1HD2 ASN 25 10.899 5.652 6.895 151 2HD2 ASN 25 2HD2 ASN 25 11.656 5.998 8.406 152 H GLY 26 H GLY 26 5.394 5.345 7.521 153 1HA GLY 26 2HA GLY 26 4.544 7.464 7.183 154 2HA GLY 26 1HA GLY 26 6.137 8.117 7.521 155 H LEU 27 H LEU 27 6.298 5.737 5.140 156 HA LEU 27 HA LEU 27 6.166 7.783 3.020 157 1HB LEU 27 2HB LEU 27 8.149 5.586 3.497 158 2HB LEU 27 1HB LEU 27 7.825 6.113 1.858 159 HG LEU 27 HG LEU 27 8.433 8.459 2.632 160 1HD1 LEU 27 1HD1 LEU 27 8.449 7.273 5.139 161 2HD1 LEU 27 2HD1 LEU 27 9.044 8.880 4.723 162 3HD1 LEU 27 3HD1 LEU 27 10.153 7.507 4.746 163 1HD2 LEU 27 1HD2 LEU 27 9.882 6.666 1.412 164 2HD2 LEU 27 2HD2 LEU 27 10.771 6.634 2.935 165 3HD2 LEU 27 3HD2 LEU 27 10.626 8.140 2.028 166 HA PRO 28 HA PRO 28 2.986 5.162 1.419 167 1HB PRO 28 2HB PRO 28 3.419 6.466 -1.152 168 2HB PRO 28 1HB PRO 28 1.995 6.483 -0.113 169 1HG PRO 28 2HG PRO 28 3.597 8.653 -0.452 170 2HG PRO 28 1HG PRO 28 2.686 8.342 1.036 171 1HD PRO 28 2HD PRO 28 5.590 7.961 0.475 172 2HD PRO 28 1HD PRO 28 4.782 8.453 1.975 173 H VAL 29 H VAL 29 2.894 3.299 0.373 174 HA VAL 29 HA VAL 29 5.324 2.373 -0.960 175 HB VAL 29 HB VAL 29 2.910 0.741 -0.092 176 1HG1 VAL 29 1HG1 VAL 29 5.604 -0.445 -0.482 177 2HG1 VAL 29 2HG1 VAL 29 4.716 0.016 -1.934 178 3HG1 VAL 29 3HG1 VAL 29 4.007 -1.127 -0.793 179 1HG2 VAL 29 1HG2 VAL 29 5.263 1.720 1.378 180 2HG2 VAL 29 2HG2 VAL 29 4.931 -0.003 1.557 181 3HG2 VAL 29 3HG2 VAL 29 3.691 1.182 1.971 Start of MODEL 18 1 H ALA 1 H ALA 1 5.674 2.034 -3.080 2 HA ALA 1 HA ALA 1 3.734 2.937 -4.923 3 1HB ALA 1 1HB ALA 1 6.508 1.992 -5.029 4 2HB ALA 1 2HB ALA 1 5.733 3.345 -5.854 5 3HB ALA 1 3HB ALA 1 5.570 1.710 -6.495 6 H GLY 2 H GLY 2 2.201 1.907 -5.982 7 1HA GLY 2 2HA GLY 2 0.967 0.239 -6.957 8 2HA GLY 2 1HA GLY 2 2.388 -0.787 -6.861 9 H GLU 3 H GLU 3 0.874 0.718 -4.068 10 HA GLU 3 HA GLU 3 -0.186 -1.908 -3.289 11 1HB GLU 3 2HB GLU 3 1.601 -0.080 -1.742 12 2HB GLU 3 1HB GLU 3 0.422 -1.072 -0.895 13 1HG GLU 3 2HG GLU 3 2.044 -2.471 -2.864 14 2HG GLU 3 1HG GLU 3 2.924 -1.853 -1.471 15 H THR 4 H THR 4 -2.243 -1.850 -2.823 16 HA THR 4 HA THR 4 -3.385 0.691 -1.904 17 HB THR 4 HB THR 4 -5.566 -0.114 -2.808 18 HG1 THR 4 HG1 THR 4 -3.873 -2.030 -4.084 19 1HG2 THR 4 1HG2 THR 4 -3.591 0.117 -5.057 20 2HG2 THR 4 2HG2 THR 4 -3.883 1.474 -3.969 21 3HG2 THR 4 3HG2 THR 4 -5.208 0.806 -4.921 22 H CYS 5 H CYS 5 -4.916 0.608 -0.291 23 HA CYS 5 HA CYS 5 -5.005 -1.949 1.169 24 1HB CYS 5 2HB CYS 5 -3.676 -0.064 2.257 25 2HB CYS 5 1HB CYS 5 -5.209 0.784 2.449 26 H VAL 6 H VAL 6 -6.815 -1.329 -0.820 27 HA VAL 6 HA VAL 6 -9.182 -0.104 0.109 28 HB VAL 6 HB VAL 6 -8.988 -2.266 -1.993 29 1HG1 VAL 6 1HG1 VAL 6 -10.938 -0.113 -2.319 30 2HG1 VAL 6 2HG1 VAL 6 -11.226 -1.135 -0.910 31 3HG1 VAL 6 3HG1 VAL 6 -11.125 -1.855 -2.517 32 1HG2 VAL 6 1HG2 VAL 6 -8.861 0.704 -2.460 33 2HG2 VAL 6 2HG2 VAL 6 -8.591 -0.592 -3.624 34 3HG2 VAL 6 3HG2 VAL 6 -7.427 -0.314 -2.329 35 H GLY 7 H GLY 7 -8.074 -3.451 0.106 36 1HA GLY 7 2HA GLY 7 -10.475 -4.323 1.519 37 2HA GLY 7 1HA GLY 7 -9.202 -5.352 0.894 38 H GLY 8 H GLY 8 -7.892 -2.781 2.474 39 1HA GLY 8 2HA GLY 8 -6.965 -2.444 4.561 40 2HA GLY 8 1HA GLY 8 -8.070 -3.655 5.174 41 H THR 9 H THR 9 -5.867 -4.275 2.588 42 HA THR 9 HA THR 9 -4.000 -5.679 4.338 43 HB THR 9 HB THR 9 -4.053 -7.658 2.751 44 HG1 THR 9 HG1 THR 9 -5.355 -6.446 1.159 45 1HG2 THR 9 1HG2 THR 9 -5.021 -8.441 4.620 46 2HG2 THR 9 2HG2 THR 9 -6.541 -8.244 3.746 47 3HG2 THR 9 3HG2 THR 9 -5.984 -6.979 4.842 48 H CYS 10 H CYS 10 -1.936 -5.823 3.514 49 HA CYS 10 HA CYS 10 -1.476 -4.710 0.826 50 1HB CYS 10 2HB CYS 10 0.418 -4.334 3.132 51 2HB CYS 10 1HB CYS 10 0.458 -3.548 1.568 52 H ASN 11 H ASN 11 0.659 -5.292 -0.027 53 HA ASN 11 HA ASN 11 1.122 -8.144 0.360 54 1HB ASN 11 2HB ASN 11 0.955 -7.314 -1.929 55 2HB ASN 11 1HB ASN 11 2.252 -6.162 -1.634 56 1HD2 ASN 11 1HD2 ASN 11 4.151 -6.741 -2.363 57 2HD2 ASN 11 2HD2 ASN 11 4.703 -8.359 -2.605 58 H THR 12 H THR 12 2.662 -5.059 0.852 59 HA THR 12 HA THR 12 5.262 -6.045 1.471 60 HB THR 12 HB THR 12 4.037 -3.434 2.379 61 HG1 THR 12 HG1 THR 12 3.796 -3.572 0.142 62 1HG2 THR 12 1HG2 THR 12 6.904 -3.914 1.642 63 2HG2 THR 12 2HG2 THR 12 6.316 -4.285 3.263 64 3HG2 THR 12 3HG2 THR 12 6.212 -2.637 2.642 65 HA PRO 13 HA PRO 13 4.312 -7.631 5.531 66 1HB PRO 13 2HB PRO 13 6.898 -8.003 6.333 67 2HB PRO 13 1HB PRO 13 6.024 -9.127 5.287 68 1HG PRO 13 2HG PRO 13 8.001 -7.008 4.561 69 2HG PRO 13 1HG PRO 13 7.816 -8.645 3.914 70 1HD PRO 13 2HD PRO 13 6.913 -6.460 2.604 71 2HD PRO 13 1HD PRO 13 6.100 -8.035 2.502 72 H GLY 14 H GLY 14 3.852 -6.552 7.291 73 1HA GLY 14 2HA GLY 14 3.934 -5.035 9.017 74 2HA GLY 14 1HA GLY 14 5.636 -4.808 8.644 75 H ALA 15 H ALA 15 2.918 -4.257 6.469 76 HA ALA 15 HA ALA 15 3.813 -1.501 6.138 77 1HB ALA 15 1HB ALA 15 1.594 -2.603 4.505 78 2HB ALA 15 2HB ALA 15 3.209 -3.266 4.250 79 3HB ALA 15 3HB ALA 15 2.922 -1.538 4.044 80 H THR 16 H THR 16 2.495 0.258 6.431 81 HA THR 16 HA THR 16 0.282 -0.119 8.280 82 HB THR 16 HB THR 16 1.149 2.564 7.290 83 HG1 THR 16 HG1 THR 16 2.715 0.725 8.680 84 1HG2 THR 16 1HG2 THR 16 0.914 2.328 10.123 85 2HG2 THR 16 2HG2 THR 16 -0.481 1.550 9.375 86 3HG2 THR 16 3HG2 THR 16 -0.106 3.233 9.004 87 H CYS 17 H CYS 17 -1.803 0.693 7.860 88 HA CYS 17 HA CYS 17 -2.461 0.745 5.027 89 1HB CYS 17 2HB CYS 17 -3.713 -0.772 6.526 90 2HB CYS 17 1HB CYS 17 -4.312 0.627 7.413 91 H SER 18 H SER 18 -3.198 2.439 3.964 92 HA SER 18 HA SER 18 -4.067 4.836 5.381 93 1HB SER 18 2HB SER 18 -1.960 4.809 3.202 94 2HB SER 18 1HB SER 18 -2.650 6.254 3.940 95 HG SER 18 HG SER 18 -1.832 4.851 5.951 96 H TRP 19 H TRP 19 -5.906 3.419 4.545 97 HA TRP 19 HA TRP 19 -6.743 2.822 2.139 98 1HB TRP 19 2HB TRP 19 -8.066 3.012 4.395 99 2HB TRP 19 1HB TRP 19 -8.656 4.515 3.693 100 HD1 TRP 19 HD1 TRP 19 -8.937 0.744 3.361 101 HE1 TRP 19 HE1 TRP 19 -10.833 0.169 1.721 102 HE3 TRP 19 HE3 TRP 19 -9.926 5.435 1.602 103 HZ2 TRP 19 HZ2 TRP 19 -12.527 1.528 -0.080 104 HZ3 TRP 19 HZ3 TRP 19 -11.703 5.716 -0.078 105 HH2 TRP 19 HH2 TRP 19 -12.974 3.801 -0.902 106 HA PRO 20 HA PRO 20 -7.398 2.553 0.581 107 1HB PRO 20 2HB PRO 20 -7.639 2.692 -2.036 108 2HB PRO 20 1HB PRO 20 -8.920 3.296 -0.983 109 1HG PRO 20 2HG PRO 20 -6.927 4.811 -2.583 110 2HG PRO 20 1HG PRO 20 -8.587 5.249 -2.151 111 1HD PRO 20 2HD PRO 20 -6.172 6.049 -0.844 112 2HD PRO 20 1HD PRO 20 -7.840 6.412 -0.355 113 H VAL 21 H VAL 21 -4.711 3.904 0.910 114 HA VAL 21 HA VAL 21 -3.242 2.153 -0.965 115 HB VAL 21 HB VAL 21 -1.372 3.875 -0.899 116 1HG1 VAL 21 1HG1 VAL 21 -3.958 4.353 -2.359 117 2HG1 VAL 21 2HG1 VAL 21 -2.512 3.528 -2.941 118 3HG1 VAL 21 3HG1 VAL 21 -2.491 5.273 -2.691 119 1HG2 VAL 21 1HG2 VAL 21 -3.413 5.288 0.607 120 2HG2 VAL 21 2HG2 VAL 21 -2.796 6.225 -0.754 121 3HG2 VAL 21 3HG2 VAL 21 -1.684 5.605 0.467 122 H CYS 22 H CYS 22 -0.991 1.620 -0.255 123 HA CYS 22 HA CYS 22 -1.014 1.272 2.668 124 1HB CYS 22 2HB CYS 22 0.493 -0.170 0.502 125 2HB CYS 22 1HB CYS 22 0.694 -0.491 2.215 126 H THR 23 H THR 23 0.753 1.800 3.934 127 HA THR 23 HA THR 23 2.920 3.288 2.628 128 HB THR 23 HB THR 23 2.897 4.883 4.587 129 HG1 THR 23 HG1 THR 23 0.248 4.589 5.124 130 1HG2 THR 23 1HG2 THR 23 1.164 4.830 2.285 131 2HG2 THR 23 2HG2 THR 23 1.986 6.199 3.034 132 3HG2 THR 23 3HG2 THR 23 0.396 5.700 3.614 133 H ARG 24 H ARG 24 4.810 3.556 4.111 134 HA ARG 24 HA ARG 24 4.951 1.693 6.324 135 1HB ARG 24 2HB ARG 24 5.547 0.562 4.012 136 2HB ARG 24 1HB ARG 24 7.072 1.407 4.230 137 1HG ARG 24 2HG ARG 24 7.477 0.262 6.300 138 2HG ARG 24 1HG ARG 24 5.878 -0.484 6.244 139 1HD ARG 24 2HD ARG 24 6.585 -1.530 4.054 140 2HD ARG 24 1HD ARG 24 8.218 -0.977 4.416 141 HE ARG 24 HE ARG 24 6.892 -3.244 5.513 142 1HH1 ARG 24 1HH1 ARG 24 9.239 -0.759 6.291 143 2HH1 ARG 24 2HH1 ARG 24 10.001 -1.690 7.536 144 1HH2 ARG 24 1HH2 ARG 24 7.885 -4.472 7.134 145 2HH2 ARG 24 2HH2 ARG 24 9.228 -3.818 8.018 146 H ASN 25 H ASN 25 6.024 2.676 7.880 147 HA ASN 25 HA ASN 25 7.323 4.138 9.028 148 1HB ASN 25 2HB ASN 25 9.092 2.844 7.696 149 2HB ASN 25 1HB ASN 25 9.150 4.243 6.627 150 1HD2 ASN 25 1HD2 ASN 25 10.678 5.648 7.088 151 2HD2 ASN 25 2HD2 ASN 25 11.368 5.931 8.645 152 H GLY 26 H GLY 26 5.180 5.165 7.460 153 1HA GLY 26 2HA GLY 26 4.298 7.277 7.150 154 2HA GLY 26 1HA GLY 26 5.877 7.951 7.516 155 H LEU 27 H LEU 27 6.093 5.615 5.081 156 HA LEU 27 HA LEU 27 5.925 7.702 3.001 157 1HB LEU 27 2HB LEU 27 7.981 5.559 3.436 158 2HB LEU 27 1HB LEU 27 7.666 6.151 1.820 159 HG LEU 27 HG LEU 27 9.554 7.329 2.601 160 1HD1 LEU 27 1HD1 LEU 27 8.394 9.692 3.103 161 2HD1 LEU 27 2HD1 LEU 27 7.017 8.813 2.436 162 3HD1 LEU 27 3HD1 LEU 27 8.499 8.976 1.494 163 1HD2 LEU 27 1HD2 LEU 27 8.014 7.608 5.148 164 2HD2 LEU 27 2HD2 LEU 27 9.301 8.746 4.747 165 3HD2 LEU 27 3HD2 LEU 27 9.659 7.025 4.889 166 HA PRO 28 HA PRO 28 2.873 4.999 1.272 167 1HB PRO 28 2HB PRO 28 3.381 6.322 -1.282 168 2HB PRO 28 1HB PRO 28 1.910 6.287 -0.313 169 1HG PRO 28 2HG PRO 28 3.444 8.511 -0.565 170 2HG PRO 28 1HG PRO 28 2.485 8.156 0.881 171 1HD PRO 28 2HD PRO 28 5.421 7.889 0.440 172 2HD PRO 28 1HD PRO 28 4.532 8.335 1.909 173 H VAL 29 H VAL 29 2.863 3.132 0.195 174 HA VAL 29 HA VAL 29 5.389 2.252 -0.970 175 HB VAL 29 HB VAL 29 2.933 0.585 -0.341 176 1HG1 VAL 29 1HG1 VAL 29 4.340 -0.470 -1.990 177 2HG1 VAL 29 2HG1 VAL 29 4.571 -1.288 -0.445 178 3HG1 VAL 29 3HG1 VAL 29 5.782 -0.148 -1.028 179 1HG2 VAL 29 1HG2 VAL 29 3.725 1.475 1.722 180 2HG2 VAL 29 2HG2 VAL 29 5.404 1.153 1.289 181 3HG2 VAL 29 3HG2 VAL 29 4.305 -0.188 1.612 Start of MODEL 19 1 H ALA 1 H ALA 1 5.089 3.421 -3.420 2 HA ALA 1 HA ALA 1 2.717 4.054 -4.826 3 1HB ALA 1 1HB ALA 1 4.549 3.647 -6.794 4 2HB ALA 1 2HB ALA 1 5.587 3.965 -5.405 5 3HB ALA 1 3HB ALA 1 4.365 5.144 -5.881 6 H GLY 2 H GLY 2 1.299 2.761 -5.762 7 1HA GLY 2 2HA GLY 2 0.721 1.031 -7.283 8 2HA GLY 2 1HA GLY 2 2.202 0.196 -6.846 9 H GLU 3 H GLU 3 1.816 0.409 -3.976 10 HA GLU 3 HA GLU 3 0.025 -1.837 -3.719 11 1HB GLU 3 2HB GLU 3 2.273 -1.531 -2.500 12 2HB GLU 3 1HB GLU 3 1.388 -0.466 -1.418 13 1HG GLU 3 2HG GLU 3 -0.048 -2.217 -0.724 14 2HG GLU 3 1HG GLU 3 0.548 -3.291 -1.985 15 H THR 4 H THR 4 -2.031 -1.730 -3.252 16 HA THR 4 HA THR 4 -3.065 0.729 -2.040 17 HB THR 4 HB THR 4 -5.293 -0.036 -2.925 18 HG1 THR 4 HG1 THR 4 -3.923 -1.608 -4.805 19 1HG2 THR 4 1HG2 THR 4 -4.309 1.741 -4.093 20 2HG2 THR 4 2HG2 THR 4 -4.662 0.554 -5.350 21 3HG2 THR 4 3HG2 THR 4 -3.018 0.726 -4.736 22 H CYS 5 H CYS 5 -4.695 0.559 -0.448 23 HA CYS 5 HA CYS 5 -4.706 -2.039 0.945 24 1HB CYS 5 2HB CYS 5 -3.426 -0.143 2.089 25 2HB CYS 5 1HB CYS 5 -4.987 0.646 2.310 26 H VAL 6 H VAL 6 -6.531 -1.428 -1.022 27 HA VAL 6 HA VAL 6 -8.914 -0.236 -0.114 28 HB VAL 6 HB VAL 6 -8.706 -2.433 -2.176 29 1HG1 VAL 6 1HG1 VAL 6 -10.699 -0.187 -2.030 30 2HG1 VAL 6 2HG1 VAL 6 -10.982 -1.772 -1.312 31 3HG1 VAL 6 3HG1 VAL 6 -10.748 -1.623 -3.053 32 1HG2 VAL 6 1HG2 VAL 6 -8.392 0.546 -2.530 33 2HG2 VAL 6 2HG2 VAL 6 -8.485 -0.635 -3.836 34 3HG2 VAL 6 3HG2 VAL 6 -7.125 -0.667 -2.714 35 H GLY 7 H GLY 7 -7.735 -3.552 0.019 36 1HA GLY 7 2HA GLY 7 -10.170 -4.534 1.249 37 2HA GLY 7 1HA GLY 7 -8.718 -5.453 0.911 38 H GLY 8 H GLY 8 -8.041 -2.592 2.461 39 1HA GLY 8 2HA GLY 8 -7.454 -2.019 4.616 40 2HA GLY 8 1HA GLY 8 -8.507 -3.309 5.165 41 H THR 9 H THR 9 -6.097 -4.169 2.941 42 HA THR 9 HA THR 9 -4.126 -4.881 4.940 43 HB THR 9 HB THR 9 -4.163 -7.271 3.750 44 HG1 THR 9 HG1 THR 9 -6.893 -6.428 3.753 45 1HG2 THR 9 1HG2 THR 9 -5.907 -7.871 5.680 46 2HG2 THR 9 2HG2 THR 9 -5.505 -6.229 6.181 47 3HG2 THR 9 3HG2 THR 9 -4.232 -7.439 6.020 48 H CYS 10 H CYS 10 -2.092 -5.258 4.075 49 HA CYS 10 HA CYS 10 -1.796 -4.585 1.231 50 1HB CYS 10 2HB CYS 10 0.316 -4.394 3.376 51 2HB CYS 10 1HB CYS 10 0.414 -3.786 1.734 52 H ASN 11 H ASN 11 0.301 -5.499 0.320 53 HA ASN 11 HA ASN 11 0.261 -8.384 0.818 54 1HB ASN 11 2HB ASN 11 1.267 -6.735 -1.505 55 2HB ASN 11 1HB ASN 11 1.597 -8.457 -1.350 56 1HD2 ASN 11 1HD2 ASN 11 0.244 -9.739 -2.358 57 2HD2 ASN 11 2HD2 ASN 11 -1.392 -9.374 -2.773 58 H THR 12 H THR 12 2.268 -5.558 0.968 59 HA THR 12 HA THR 12 4.713 -7.048 1.358 60 HB THR 12 HB THR 12 4.311 -4.127 2.004 61 HG1 THR 12 HG1 THR 12 3.811 -3.926 -0.055 62 1HG2 THR 12 1HG2 THR 12 6.541 -4.061 2.186 63 2HG2 THR 12 2HG2 THR 12 6.759 -4.939 0.673 64 3HG2 THR 12 3HG2 THR 12 6.509 -5.824 2.178 65 HA PRO 13 HA PRO 13 3.953 -7.945 5.648 66 1HB PRO 13 2HB PRO 13 6.888 -8.323 5.716 67 2HB PRO 13 1HB PRO 13 5.596 -9.447 6.151 68 1HG PRO 13 2HG PRO 13 7.000 -9.760 3.906 69 2HG PRO 13 1HG PRO 13 5.267 -10.126 3.966 70 1HD PRO 13 2HD PRO 13 6.667 -7.744 2.817 71 2HD PRO 13 1HD PRO 13 5.254 -8.628 2.205 72 H GLY 14 H GLY 14 3.917 -6.744 7.413 73 1HA GLY 14 2HA GLY 14 4.387 -5.116 8.957 74 2HA GLY 14 1HA GLY 14 6.024 -5.092 8.326 75 H ALA 15 H ALA 15 3.170 -4.407 6.395 76 HA ALA 15 HA ALA 15 4.191 -1.680 5.998 77 1HB ALA 15 1HB ALA 15 1.968 -2.695 4.323 78 2HB ALA 15 2HB ALA 15 3.535 -3.477 4.116 79 3HB ALA 15 3HB ALA 15 3.380 -1.737 3.879 80 H THR 16 H THR 16 2.826 0.100 6.218 81 HA THR 16 HA THR 16 0.639 -0.278 8.098 82 HB THR 16 HB THR 16 1.479 2.396 7.055 83 HG1 THR 16 HG1 THR 16 3.040 0.590 8.492 84 1HG2 THR 16 1HG2 THR 16 0.641 1.393 9.777 85 2HG2 THR 16 2HG2 THR 16 -0.377 2.269 8.634 86 3HG2 THR 16 3HG2 THR 16 1.009 3.070 9.373 87 H CYS 17 H CYS 17 -1.464 0.548 7.710 88 HA CYS 17 HA CYS 17 -2.151 0.604 4.872 89 1HB CYS 17 2HB CYS 17 -3.345 -1.022 6.290 90 2HB CYS 17 1HB CYS 17 -3.969 0.302 7.270 91 H SER 18 H SER 18 -3.102 2.266 3.895 92 HA SER 18 HA SER 18 -3.990 4.590 5.404 93 1HB SER 18 2HB SER 18 -1.886 4.691 3.228 94 2HB SER 18 1HB SER 18 -2.647 6.102 3.960 95 HG SER 18 HG SER 18 -1.779 4.684 5.965 96 H TRP 19 H TRP 19 -5.806 3.168 4.540 97 HA TRP 19 HA TRP 19 -6.646 2.638 2.112 98 1HB TRP 19 2HB TRP 19 -7.949 2.711 4.397 99 2HB TRP 19 1HB TRP 19 -8.603 4.208 3.736 100 HD1 TRP 19 HD1 TRP 19 -8.731 0.436 3.304 101 HE1 TRP 19 HE1 TRP 19 -10.608 -0.172 1.653 102 HE3 TRP 19 HE3 TRP 19 -9.924 5.128 1.687 103 HZ2 TRP 19 HZ2 TRP 19 -12.366 1.165 -0.099 104 HZ3 TRP 19 HZ3 TRP 19 -11.721 5.383 0.021 105 HH2 TRP 19 HH2 TRP 19 -12.916 3.440 -0.853 106 HA PRO 20 HA PRO 20 -7.368 2.422 0.559 107 1HB PRO 20 2HB PRO 20 -7.616 2.656 -2.052 108 2HB PRO 20 1HB PRO 20 -8.900 3.204 -0.974 109 1HG PRO 20 2HG PRO 20 -6.919 4.803 -2.509 110 2HG PRO 20 1HG PRO 20 -8.591 5.199 -2.079 111 1HD PRO 20 2HD PRO 20 -6.215 6.010 -0.727 112 2HD PRO 20 1HD PRO 20 -7.893 6.292 -0.221 113 H VAL 21 H VAL 21 -4.693 3.792 0.923 114 HA VAL 21 HA VAL 21 -3.223 2.104 -1.001 115 HB VAL 21 HB VAL 21 -1.358 3.801 -0.945 116 1HG1 VAL 21 1HG1 VAL 21 -3.043 5.435 -2.394 117 2HG1 VAL 21 2HG1 VAL 21 -3.861 3.872 -2.425 118 3HG1 VAL 21 3HG1 VAL 21 -2.200 4.010 -3.003 119 1HG2 VAL 21 1HG2 VAL 21 -1.856 5.203 0.858 120 2HG2 VAL 21 2HG2 VAL 21 -3.526 5.429 0.338 121 3HG2 VAL 21 3HG2 VAL 21 -2.211 6.180 -0.566 122 H CYS 22 H CYS 22 -0.873 1.789 -0.305 123 HA CYS 22 HA CYS 22 -0.887 1.229 2.581 124 1HB CYS 22 2HB CYS 22 0.551 -0.119 0.292 125 2HB CYS 22 1HB CYS 22 0.928 -0.438 1.986 126 H THR 23 H THR 23 0.940 1.694 3.835 127 HA THR 23 HA THR 23 2.992 3.377 2.584 128 HB THR 23 HB THR 23 2.896 4.893 4.598 129 HG1 THR 23 HG1 THR 23 0.293 4.463 5.178 130 1HG2 THR 23 1HG2 THR 23 0.379 5.668 3.734 131 2HG2 THR 23 2HG2 THR 23 1.049 4.796 2.355 132 3HG2 THR 23 3HG2 THR 23 1.922 6.167 3.040 133 H ARG 24 H ARG 24 4.807 3.790 4.172 134 HA ARG 24 HA ARG 24 5.123 1.797 6.247 135 1HB ARG 24 2HB ARG 24 5.866 0.620 4.205 136 2HB ARG 24 1HB ARG 24 7.008 1.917 3.882 137 1HG ARG 24 2HG ARG 24 8.145 1.389 6.011 138 2HG ARG 24 1HG ARG 24 7.044 0.032 6.227 139 1HD ARG 24 2HD ARG 24 8.814 0.373 3.814 140 2HD ARG 24 1HD ARG 24 9.279 -0.554 5.240 141 HE ARG 24 HE ARG 24 7.462 -1.349 3.171 142 1HH1 ARG 24 1HH1 ARG 24 8.386 -1.831 6.511 143 2HH1 ARG 24 2HH1 ARG 24 7.547 -3.338 6.663 144 1HH2 ARG 24 1HH2 ARG 24 6.363 -3.348 3.367 145 2HH2 ARG 24 2HH2 ARG 24 6.420 -4.219 4.868 146 H ASN 25 H ASN 25 5.948 2.860 7.906 147 HA ASN 25 HA ASN 25 7.035 4.399 9.177 148 1HB ASN 25 2HB ASN 25 8.948 4.196 6.853 149 2HB ASN 25 1HB ASN 25 9.286 5.189 8.265 150 1HD2 ASN 25 1HD2 ASN 25 7.703 3.004 9.801 151 2HD2 ASN 25 2HD2 ASN 25 8.905 1.798 10.080 152 H GLY 26 H GLY 26 4.938 5.357 7.534 153 1HA GLY 26 2HA GLY 26 3.976 7.438 7.233 154 2HA GLY 26 1HA GLY 26 5.512 8.171 7.660 155 H LEU 27 H LEU 27 5.987 5.893 5.248 156 HA LEU 27 HA LEU 27 5.880 7.996 3.184 157 1HB LEU 27 2HB LEU 27 7.703 5.591 3.362 158 2HB LEU 27 1HB LEU 27 7.679 6.744 2.042 159 HG LEU 27 HG LEU 27 8.424 7.385 4.898 160 1HD1 LEU 27 1HD1 LEU 27 10.686 7.522 4.131 161 2HD1 LEU 27 2HD1 LEU 27 10.192 7.218 2.466 162 3HD1 LEU 27 3HD1 LEU 27 10.045 5.943 3.676 163 1HD2 LEU 27 1HD2 LEU 27 7.365 9.152 3.245 164 2HD2 LEU 27 2HD2 LEU 27 9.005 9.174 2.596 165 3HD2 LEU 27 3HD2 LEU 27 8.723 9.568 4.292 166 HA PRO 28 HA PRO 28 2.760 5.390 1.408 167 1HB PRO 28 2HB PRO 28 3.057 6.965 -1.020 168 2HB PRO 28 1HB PRO 28 1.675 6.832 0.064 169 1HG PRO 28 2HG PRO 28 3.198 9.078 -0.119 170 2HG PRO 28 1HG PRO 28 2.347 8.598 1.360 171 1HD PRO 28 2HD PRO 28 5.240 8.348 0.669 172 2HD PRO 28 1HD PRO 28 4.476 8.702 2.231 173 H VAL 29 H VAL 29 2.717 3.648 0.170 174 HA VAL 29 HA VAL 29 5.137 2.975 -1.332 175 HB VAL 29 HB VAL 29 2.832 1.178 -0.515 176 1HG1 VAL 29 1HG1 VAL 29 5.327 -0.147 -1.077 177 2HG1 VAL 29 2HG1 VAL 29 4.805 0.804 -2.467 178 3HG1 VAL 29 3HG1 VAL 29 3.733 -0.417 -1.779 179 1HG2 VAL 29 1HG2 VAL 29 4.012 1.930 1.447 180 2HG2 VAL 29 2HG2 VAL 29 5.567 1.554 0.704 181 3HG2 VAL 29 3HG2 VAL 29 4.451 0.253 1.121 Start of MODEL 20 1 H ALA 1 H ALA 1 5.891 1.994 -2.819 2 HA ALA 1 HA ALA 1 4.099 2.936 -4.770 3 1HB ALA 1 1HB ALA 1 5.873 2.903 -6.149 4 2HB ALA 1 2HB ALA 1 6.306 1.248 -5.723 5 3HB ALA 1 3HB ALA 1 6.778 2.582 -4.670 6 H GLY 2 H GLY 2 2.483 1.968 -5.741 7 1HA GLY 2 2HA GLY 2 1.174 0.361 -6.721 8 2HA GLY 2 1HA GLY 2 2.590 -0.678 -6.750 9 H GLU 3 H GLU 3 1.203 0.708 -3.828 10 HA GLU 3 HA GLU 3 0.203 -1.959 -3.102 11 1HB GLU 3 2HB GLU 3 2.406 -1.406 -2.012 12 2HB GLU 3 1HB GLU 3 1.603 -0.073 -1.206 13 1HG GLU 3 2HG GLU 3 1.805 -1.973 0.262 14 2HG GLU 3 1HG GLU 3 0.112 -1.633 -0.090 15 H THR 4 H THR 4 -1.898 -1.815 -2.867 16 HA THR 4 HA THR 4 -3.029 0.664 -1.773 17 HB THR 4 HB THR 4 -5.176 -0.038 -2.806 18 HG1 THR 4 HG1 THR 4 -3.772 -2.292 -3.273 19 1HG2 THR 4 1HG2 THR 4 -3.232 0.044 -5.057 20 2HG2 THR 4 2HG2 THR 4 -3.222 1.385 -3.909 21 3HG2 THR 4 3HG2 THR 4 -4.697 0.990 -4.792 22 H CYS 5 H CYS 5 -4.740 0.522 -0.285 23 HA CYS 5 HA CYS 5 -4.861 -2.067 1.117 24 1HB CYS 5 2HB CYS 5 -3.665 -0.186 2.343 25 2HB CYS 5 1HB CYS 5 -5.221 0.637 2.423 26 H VAL 6 H VAL 6 -6.553 -1.414 -0.987 27 HA VAL 6 HA VAL 6 -9.000 -0.267 -0.190 28 HB VAL 6 HB VAL 6 -8.645 -2.399 -2.299 29 1HG1 VAL 6 1HG1 VAL 6 -10.566 -0.342 -2.886 30 2HG1 VAL 6 2HG1 VAL 6 -10.934 -1.112 -1.342 31 3HG1 VAL 6 3HG1 VAL 6 -10.785 -2.091 -2.802 32 1HG2 VAL 6 1HG2 VAL 6 -7.207 -0.153 -2.311 33 2HG2 VAL 6 2HG2 VAL 6 -8.692 0.470 -3.030 34 3HG2 VAL 6 3HG2 VAL 6 -7.845 -0.880 -3.786 35 H GLY 7 H GLY 7 -7.800 -3.579 -0.117 36 1HA GLY 7 2HA GLY 7 -10.280 -4.606 0.977 37 2HA GLY 7 1HA GLY 7 -8.824 -5.522 0.643 38 H GLY 8 H GLY 8 -7.990 -2.825 2.296 39 1HA GLY 8 2HA GLY 8 -7.610 -2.312 4.524 40 2HA GLY 8 1HA GLY 8 -8.601 -3.689 4.965 41 H THR 9 H THR 9 -6.171 -4.458 2.762 42 HA THR 9 HA THR 9 -4.172 -5.086 4.783 43 HB THR 9 HB THR 9 -3.980 -7.441 3.836 44 HG1 THR 9 HG1 THR 9 -5.533 -6.850 2.070 45 1HG2 THR 9 1HG2 THR 9 -6.179 -8.155 5.149 46 2HG2 THR 9 2HG2 THR 9 -6.114 -6.469 5.662 47 3HG2 THR 9 3HG2 THR 9 -4.752 -7.541 5.983 48 H CYS 10 H CYS 10 -2.111 -5.209 3.971 49 HA CYS 10 HA CYS 10 -1.804 -4.619 1.103 50 1HB CYS 10 2HB CYS 10 0.368 -4.234 3.137 51 2HB CYS 10 1HB CYS 10 0.187 -3.472 1.571 52 H ASN 11 H ASN 11 0.162 -5.484 0.108 53 HA ASN 11 HA ASN 11 0.491 -8.300 0.784 54 1HB ASN 11 2HB ASN 11 0.120 -7.792 -1.552 55 2HB ASN 11 1HB ASN 11 1.426 -6.613 -1.553 56 1HD2 ASN 11 1HD2 ASN 11 3.237 -7.275 -2.413 57 2HD2 ASN 11 2HD2 ASN 11 3.783 -8.910 -2.519 58 H THR 12 H THR 12 2.241 -5.299 0.658 59 HA THR 12 HA THR 12 4.849 -6.285 1.112 60 HB THR 12 HB THR 12 3.724 -3.575 1.850 61 HG1 THR 12 HG1 THR 12 3.371 -4.051 -0.363 62 1HG2 THR 12 1HG2 THR 12 5.801 -3.432 2.761 63 2HG2 THR 12 2HG2 THR 12 6.257 -3.108 1.090 64 3HG2 THR 12 3HG2 THR 12 6.449 -4.729 1.758 65 HA PRO 13 HA PRO 13 4.388 -7.507 5.375 66 1HB PRO 13 2HB PRO 13 7.063 -7.785 5.900 67 2HB PRO 13 1HB PRO 13 6.082 -9.008 5.085 68 1HG PRO 13 2HG PRO 13 7.924 -6.965 3.916 69 2HG PRO 13 1HG PRO 13 7.688 -8.661 3.459 70 1HD PRO 13 2HD PRO 13 6.598 -6.634 2.054 71 2HD PRO 13 1HD PRO 13 5.785 -8.202 2.234 72 H GLY 14 H GLY 14 4.194 -6.366 7.150 73 1HA GLY 14 2HA GLY 14 4.475 -4.754 8.759 74 2HA GLY 14 1HA GLY 14 6.076 -4.466 8.097 75 H ALA 15 H ALA 15 3.179 -4.173 6.156 76 HA ALA 15 HA ALA 15 3.770 -1.330 5.835 77 1HB ALA 15 1HB ALA 15 1.617 -2.298 4.175 78 2HB ALA 15 2HB ALA 15 3.049 -3.318 4.024 79 3HB ALA 15 3HB ALA 15 3.163 -1.586 3.711 80 H THR 16 H THR 16 2.401 0.259 6.414 81 HA THR 16 HA THR 16 0.173 -0.461 8.140 82 HB THR 16 HB THR 16 0.951 2.362 7.519 83 HG1 THR 16 HG1 THR 16 2.573 0.444 8.608 84 1HG2 THR 16 1HG2 THR 16 0.178 2.814 9.712 85 2HG2 THR 16 2HG2 THR 16 0.206 1.106 10.151 86 3HG2 THR 16 3HG2 THR 16 -0.997 1.702 9.008 87 H CYS 17 H CYS 17 -1.933 0.309 7.790 88 HA CYS 17 HA CYS 17 -2.618 0.540 4.993 89 1HB CYS 17 2HB CYS 17 -3.874 -0.969 6.522 90 2HB CYS 17 1HB CYS 17 -4.458 0.449 7.386 91 H SER 18 H SER 18 -3.399 2.251 3.980 92 HA SER 18 HA SER 18 -4.206 4.641 5.432 93 1HB SER 18 2HB SER 18 -2.099 4.657 3.254 94 2HB SER 18 1HB SER 18 -2.762 6.080 4.058 95 HG SER 18 HG SER 18 -1.935 4.538 5.985 96 H TRP 19 H TRP 19 -6.017 3.183 4.519 97 HA TRP 19 HA TRP 19 -6.810 2.676 2.079 98 1HB TRP 19 2HB TRP 19 -8.168 2.775 4.340 99 2HB TRP 19 1HB TRP 19 -8.813 4.253 3.629 100 HD1 TRP 19 HD1 TRP 19 -8.876 0.470 3.247 101 HE1 TRP 19 HE1 TRP 19 -10.698 -0.186 1.553 102 HE3 TRP 19 HE3 TRP 19 -10.101 5.125 1.544 103 HZ2 TRP 19 HZ2 TRP 19 -12.426 1.102 -0.264 104 HZ3 TRP 19 HZ3 TRP 19 -11.853 5.331 -0.174 105 HH2 TRP 19 HH2 TRP 19 -12.992 3.359 -1.058 106 HA PRO 20 HA PRO 20 -7.531 2.457 0.523 107 1HB PRO 20 2HB PRO 20 -7.661 2.663 -2.099 108 2HB PRO 20 1HB PRO 20 -8.980 3.252 -1.087 109 1HG PRO 20 2HG PRO 20 -6.874 4.791 -2.525 110 2HG PRO 20 1HG PRO 20 -8.569 5.215 -2.229 111 1HD PRO 20 2HD PRO 20 -6.313 6.055 -0.730 112 2HD PRO 20 1HD PRO 20 -8.021 6.296 -0.313 113 H VAL 21 H VAL 21 -4.842 3.887 0.920 114 HA VAL 21 HA VAL 21 -3.324 2.110 -0.887 115 HB VAL 21 HB VAL 21 -1.449 3.793 -0.799 116 1HG1 VAL 21 1HG1 VAL 21 -2.267 5.026 -2.673 117 2HG1 VAL 21 2HG1 VAL 21 -3.942 4.779 -2.176 118 3HG1 VAL 21 3HG1 VAL 21 -2.980 3.414 -2.746 119 1HG2 VAL 21 1HG2 VAL 21 -1.748 5.427 0.709 120 2HG2 VAL 21 2HG2 VAL 21 -3.505 5.264 0.689 121 3HG2 VAL 21 3HG2 VAL 21 -2.690 6.194 -0.570 122 H CYS 22 H CYS 22 -0.886 2.077 -0.053 123 HA CYS 22 HA CYS 22 -1.028 1.524 2.844 124 1HB CYS 22 2HB CYS 22 0.413 -0.003 0.671 125 2HB CYS 22 1HB CYS 22 0.669 -0.274 2.394 126 H THR 23 H THR 23 0.717 2.056 4.119 127 HA THR 23 HA THR 23 2.952 3.461 2.825 128 HB THR 23 HB THR 23 2.907 5.125 4.721 129 HG1 THR 23 HG1 THR 23 0.204 4.722 5.166 130 1HG2 THR 23 1HG2 THR 23 2.145 6.005 2.692 131 2HG2 THR 23 2HG2 THR 23 0.826 6.356 3.809 132 3HG2 THR 23 3HG2 THR 23 0.696 5.000 2.688 133 H ARG 24 H ARG 24 4.870 3.575 4.144 134 HA ARG 24 HA ARG 24 4.920 1.996 6.575 135 1HB ARG 24 2HB ARG 24 5.313 0.384 4.671 136 2HB ARG 24 1HB ARG 24 6.768 1.293 4.285 137 1HG ARG 24 2HG ARG 24 7.766 0.727 6.376 138 2HG ARG 24 1HG ARG 24 6.262 0.016 6.962 139 1HD ARG 24 2HD ARG 24 7.757 -1.747 6.309 140 2HD ARG 24 1HD ARG 24 6.417 -1.681 5.167 141 HE ARG 24 HE ARG 24 8.528 -0.126 4.174 142 1HH1 ARG 24 1HH1 ARG 24 7.719 -3.474 4.793 143 2HH1 ARG 24 2HH1 ARG 24 8.760 -4.090 3.552 144 1HH2 ARG 24 1HH2 ARG 24 9.906 -0.931 2.525 145 2HH2 ARG 24 2HH2 ARG 24 10.008 -2.639 2.256 146 H ASN 25 H ASN 25 6.267 2.889 7.990 147 HA ASN 25 HA ASN 25 7.726 4.335 8.942 148 1HB ASN 25 2HB ASN 25 9.174 3.921 6.321 149 2HB ASN 25 1HB ASN 25 9.842 4.859 7.651 150 1HD2 ASN 25 1HD2 ASN 25 11.210 3.782 8.853 151 2HD2 ASN 25 2HD2 ASN 25 11.183 2.083 9.165 152 H GLY 26 H GLY 26 5.456 5.348 7.473 153 1HA GLY 26 2HA GLY 26 4.575 7.451 7.135 154 2HA GLY 26 1HA GLY 26 6.157 8.124 7.496 155 H LEU 27 H LEU 27 6.095 5.720 5.065 156 HA LEU 27 HA LEU 27 6.037 7.769 2.953 157 1HB LEU 27 2HB LEU 27 8.371 7.096 3.516 158 2HB LEU 27 1HB LEU 27 7.957 5.438 3.127 159 HG LEU 27 HG LEU 27 7.440 6.208 0.787 160 1HD1 LEU 27 1HD1 LEU 27 8.476 8.359 0.104 161 2HD1 LEU 27 2HD1 LEU 27 8.704 8.744 1.809 162 3HD1 LEU 27 3HD1 LEU 27 7.077 8.549 1.160 163 1HD2 LEU 27 1HD2 LEU 27 10.268 6.726 1.687 164 2HD2 LEU 27 2HD2 LEU 27 9.731 6.199 0.093 165 3HD2 LEU 27 3HD2 LEU 27 9.570 5.121 1.479 166 HA PRO 28 HA PRO 28 2.954 4.984 1.374 167 1HB PRO 28 2HB PRO 28 3.437 6.237 -1.228 168 2HB PRO 28 1HB PRO 28 1.961 6.188 -0.266 169 1HG PRO 28 2HG PRO 28 3.423 8.446 -0.562 170 2HG PRO 28 1HG PRO 28 2.491 8.090 0.902 171 1HD PRO 28 2HD PRO 28 5.428 7.903 0.428 172 2HD PRO 28 1HD PRO 28 4.545 8.351 1.902 173 H VAL 29 H VAL 29 2.945 3.083 0.337 174 HA VAL 29 HA VAL 29 5.487 2.156 -0.730 175 HB VAL 29 HB VAL 29 2.950 0.573 -0.207 176 1HG1 VAL 29 1HG1 VAL 29 5.067 -0.140 -1.776 177 2HG1 VAL 29 2HG1 VAL 29 4.023 -1.274 -0.918 178 3HG1 VAL 29 3HG1 VAL 29 5.559 -0.777 -0.207 179 1HG2 VAL 29 1HG2 VAL 29 4.842 1.668 1.617 180 2HG2 VAL 29 2HG2 VAL 29 5.041 -0.084 1.593 181 3HG2 VAL 29 3HG2 VAL 29 3.464 0.618 1.951
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