NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
9849 | 1orx | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H VAL 1 H VAL 1 3.407 7.106 -4.101 2 HA VAL 1 HA VAL 1 5.650 7.033 -4.545 3 HB VAL 1 HB VAL 1 5.802 6.447 -1.583 4 1HG1 VAL 1 1HG1 VAL 1 7.819 8.199 -2.734 5 2HG1 VAL 1 2HG1 VAL 1 7.845 6.578 -3.427 6 3HG1 VAL 1 3HG1 VAL 1 8.004 6.793 -1.684 7 1HG2 VAL 1 1HG2 VAL 1 4.355 8.416 -2.282 8 2HG2 VAL 1 2HG2 VAL 1 5.842 9.170 -2.853 9 3HG2 VAL 1 3HG2 VAL 1 5.662 8.756 -1.148 10 H CYS 2 H CYS 2 4.500 4.380 -2.618 11 HA CYS 2 HA CYS 2 6.689 2.625 -3.261 12 1HB CYS 2 2HB CYS 2 4.026 1.711 -2.175 13 2HB CYS 2 1HB CYS 2 5.642 1.076 -1.835 14 H GLY 3 H GLY 3 3.734 3.589 -4.641 15 1HA GLY 3 2HA GLY 3 2.667 3.040 -6.598 16 2HA GLY 3 1HA GLY 3 4.151 2.222 -7.066 17 H GLU 4 H GLU 4 2.578 1.331 -4.156 18 HA GLU 4 HA GLU 4 1.663 -1.167 -5.401 19 1HB GLU 4 2HB GLU 4 3.579 -1.441 -3.873 20 2HB GLU 4 1HB GLU 4 2.652 -0.685 -2.585 21 1HG GLU 4 2HG GLU 4 1.054 -2.498 -2.644 22 2HG GLU 4 1HG GLU 4 1.935 -3.241 -3.966 23 H THR 5 H THR 5 -0.266 -2.089 -4.586 24 HA THR 5 HA THR 5 -2.035 -0.169 -3.228 25 HB THR 5 HB THR 5 -3.938 -1.346 -4.174 26 HG1 THR 5 1HG THR 5 -2.253 -3.295 -4.562 27 1HG2 THR 5 1HG2 THR 5 -3.729 0.214 -5.765 28 2HG2 THR 5 2HG2 THR 5 -2.968 -1.030 -6.762 29 3HG2 THR 5 3HG2 THR 5 -1.970 0.059 -5.797 30 H CYS 6 H CYS 6 -3.216 -0.874 -1.491 31 HA CYS 6 HA CYS 6 -2.618 -3.608 -0.574 32 1HB CYS 6 2HB CYS 6 -3.032 -2.613 1.755 33 2HB CYS 6 1HB CYS 6 -1.506 -2.287 0.957 34 H VAL 7 H VAL 7 -4.682 -3.089 -2.221 35 HA VAL 7 HA VAL 7 -7.174 -2.507 -1.137 36 HB VAL 7 HB VAL 7 -6.641 -4.583 -3.273 37 1HG1 VAL 7 1HG1 VAL 7 -8.951 -4.476 -2.366 38 2HG1 VAL 7 2HG1 VAL 7 -8.845 -4.066 -4.078 39 3HG1 VAL 7 3HG1 VAL 7 -9.031 -2.789 -2.876 40 1HG2 VAL 7 1HG2 VAL 7 -7.351 -2.143 -4.457 41 2HG2 VAL 7 2HG2 VAL 7 -5.792 -2.963 -4.533 42 3HG2 VAL 7 3HG2 VAL 7 -6.098 -1.765 -3.276 43 H GLY 8 H GLY 8 -5.127 -5.245 -0.694 44 1HA GLY 8 2HA GLY 8 -7.326 -6.775 0.551 45 2HA GLY 8 1HA GLY 8 -5.784 -7.451 0.038 46 H GLY 9 H GLY 9 -5.871 -4.409 1.658 47 1HA GLY 9 2HA GLY 9 -5.063 -3.700 3.675 48 2HA GLY 9 1HA GLY 9 -5.722 -5.187 4.339 49 H THR 10 H THR 10 -3.177 -4.936 1.886 50 HA THR 10 HA THR 10 -1.154 -5.619 3.869 51 HB THR 10 HB THR 10 -0.528 -7.513 2.041 52 HG1 THR 10 1HG THR 10 -3.368 -7.635 2.285 53 1HG2 THR 10 1HG2 THR 10 -0.522 -8.656 3.948 54 2HG2 THR 10 2HG2 THR 10 -2.279 -8.786 3.864 55 3HG2 THR 10 3HG2 THR 10 -1.535 -7.428 4.709 56 H CYS 11 H CYS 11 0.877 -5.070 3.303 57 HA CYS 11 HA CYS 11 1.364 -4.126 0.567 58 1HB CYS 11 2HB CYS 11 2.184 -2.776 3.140 59 2HB CYS 11 1HB CYS 11 2.821 -2.343 1.560 60 H ASN 12 H ASN 12 3.212 -4.757 -0.313 61 HA ASN 12 HA ASN 12 4.838 -6.689 1.105 62 1HB ASN 12 2HB ASN 12 4.872 -5.642 -1.731 63 2HB ASN 12 1HB ASN 12 6.046 -6.805 -1.125 64 1HD2 ASN 12 1HD2 ASN 12 2.812 -6.274 -2.164 65 2HD2 ASN 12 2HD2 ASN 12 2.313 -7.936 -2.149 66 H THR 13 H THR 13 5.115 -3.424 -0.184 67 HA THR 13 HA THR 13 7.895 -3.117 0.294 68 HB THR 13 HB THR 13 5.955 -0.823 0.339 69 HG1 THR 13 1HG THR 13 5.357 -2.080 -1.470 70 1HG2 THR 13 1HG2 THR 13 8.502 -0.637 0.699 71 2HG2 THR 13 2HG2 THR 13 7.757 0.430 -0.492 72 3HG2 THR 13 3HG2 THR 13 8.630 -1.009 -1.021 73 HA PRO 14 HA PRO 14 7.505 -3.182 4.773 74 1HB PRO 14 2HB PRO 14 10.347 -2.362 4.629 75 2HB PRO 14 1HB PRO 14 9.611 -3.738 5.457 76 1HG PRO 14 2HG PRO 14 11.028 -4.082 3.223 77 2HG PRO 14 1HG PRO 14 9.571 -5.041 3.542 78 1HD PRO 14 2HD PRO 14 9.930 -2.684 1.732 79 2HD PRO 14 1HD PRO 14 8.996 -4.173 1.473 80 H GLY 15 H GLY 15 9.351 -0.561 3.222 81 1HA GLY 15 2HA GLY 15 8.810 1.217 5.438 82 2HA GLY 15 1HA GLY 15 9.667 1.616 3.963 83 H CYS 16 H CYS 16 6.463 0.221 4.242 84 HA CYS 16 HA CYS 16 5.269 2.756 3.398 85 1HB CYS 16 2HB CYS 16 5.031 0.155 1.879 86 2HB CYS 16 1HB CYS 16 4.004 1.559 1.577 87 H THR 17 H THR 17 3.375 3.144 4.302 88 HA THR 17 HA THR 17 2.175 1.064 5.956 89 HB THR 17 HB THR 17 2.532 3.277 6.979 90 HG1 THR 17 1HG THR 17 0.824 2.725 8.074 91 1HG2 THR 17 1HG2 THR 17 2.101 5.184 5.926 92 2HG2 THR 17 2HG2 THR 17 0.400 4.747 5.761 93 3HG2 THR 17 3HG2 THR 17 1.560 4.259 4.525 94 H CYS 18 H CYS 18 -0.564 2.291 5.693 95 HA CYS 18 HA CYS 18 -1.173 1.887 2.887 96 1HB CYS 18 2HB CYS 18 -1.114 -0.410 3.554 97 2HB CYS 18 1HB CYS 18 -2.053 -0.070 5.007 98 H SER 19 H SER 19 -2.863 3.006 2.250 99 HA SER 19 HA SER 19 -4.551 4.329 4.253 100 1HB SER 19 2HB SER 19 -4.622 4.700 1.245 101 2HB SER 19 1HB SER 19 -5.236 5.799 2.482 102 HG SER 19 HG SER 19 -2.703 5.463 3.032 103 H TRP 20 H TRP 20 -4.763 2.488 1.281 104 HA TRP 20 HA TRP 20 -6.403 0.502 2.085 105 1HB TRP 20 2HB TRP 20 -8.402 1.675 2.360 106 2HB TRP 20 1HB TRP 20 -8.068 2.758 1.003 107 HD1 TRP 20 HD TRP 20 -8.332 -1.131 1.226 108 HE1 TRP 20 1HE TRP 20 -9.713 -1.938 -0.783 109 HE3 TRP 20 3HE TRP 20 -9.525 3.399 -0.811 110 HZ2 TRP 20 2HZ TRP 20 -11.152 -0.800 -2.925 111 HZ3 TRP 20 3HZ TRP 20 -10.887 3.448 -2.845 112 HH2 TRP 20 HH TRP 20 -11.696 1.389 -3.876 113 HA PRO 21 HA PRO 21 -5.953 -0.056 -2.427 114 1HB PRO 21 2HB PRO 21 -6.498 1.739 -4.276 115 2HB PRO 21 1HB PRO 21 -7.796 1.134 -3.237 116 1HG PRO 21 2HG PRO 21 -6.382 3.747 -3.157 117 2HG PRO 21 1HG PRO 21 -8.065 3.373 -2.767 118 1HD PRO 21 2HD PRO 21 -5.894 3.632 -0.943 119 2HD PRO 21 1HD PRO 21 -7.543 3.096 -0.575 120 H VAL 22 H VAL 22 -4.087 2.062 -0.921 121 HA VAL 22 HA VAL 22 -1.933 1.760 -2.827 122 HB VAL 22 HB VAL 22 -1.343 4.247 -2.520 123 1HG1 VAL 22 1HG1 VAL 22 -3.665 3.342 -4.204 124 2HG1 VAL 22 2HG1 VAL 22 -1.969 3.468 -4.677 125 3HG1 VAL 22 3HG1 VAL 22 -2.911 4.928 -4.369 126 1HG2 VAL 22 1HG2 VAL 22 -4.099 4.120 -1.429 127 2HG2 VAL 22 2HG2 VAL 22 -3.655 5.529 -2.395 128 3HG2 VAL 22 3HG2 VAL 22 -2.736 5.129 -0.942 129 H CYS 23 H CYS 23 -0.095 1.387 -1.863 130 HA CYS 23 HA CYS 23 0.069 1.520 1.027 131 1HB CYS 23 2HB CYS 23 2.075 0.608 -1.068 132 2HB CYS 23 1HB CYS 23 2.317 0.476 0.666 133 H THR 24 H THR 24 0.556 3.389 1.960 134 HA THR 24 HA THR 24 1.741 5.553 0.523 135 HB THR 24 HB THR 24 1.481 5.516 3.509 136 HG1 THR 24 1HG THR 24 -0.704 6.009 1.746 137 1HG2 THR 24 1HG2 THR 24 1.001 7.614 1.387 138 2HG2 THR 24 2HG2 THR 24 2.394 7.516 2.464 139 3HG2 THR 24 3HG2 THR 24 0.793 7.855 3.122 Start of MODEL 2 1 H VAL 1 H VAL 1 5.301 5.169 -0.360 2 HA VAL 1 HA VAL 1 4.264 6.406 -2.808 3 HB VAL 1 HB VAL 1 6.488 7.455 -3.241 4 1HG1 VAL 1 1HG1 VAL 1 5.130 8.448 -0.738 5 2HG1 VAL 1 2HG1 VAL 1 4.566 8.742 -2.382 6 3HG1 VAL 1 3HG1 VAL 1 6.114 9.397 -1.850 7 1HG2 VAL 1 1HG2 VAL 1 7.279 5.958 -1.014 8 2HG2 VAL 1 2HG2 VAL 1 7.321 7.641 -0.486 9 3HG2 VAL 1 3HG2 VAL 1 8.242 7.138 -1.903 10 H CYS 2 H CYS 2 4.673 3.675 -1.858 11 HA CYS 2 HA CYS 2 6.915 2.643 -3.358 12 1HB CYS 2 2HB CYS 2 4.716 1.246 -1.800 13 2HB CYS 2 1HB CYS 2 6.097 0.425 -2.544 14 H GLY 3 H GLY 3 3.744 3.528 -3.998 15 1HA GLY 3 2HA GLY 3 2.508 3.434 -5.939 16 2HA GLY 3 1HA GLY 3 3.889 2.662 -6.700 17 H GLU 4 H GLU 4 2.916 1.143 -3.894 18 HA GLU 4 HA GLU 4 1.731 -1.062 -5.391 19 1HB GLU 4 2HB GLU 4 3.549 -1.762 -4.060 20 2HB GLU 4 1HB GLU 4 3.036 -0.791 -2.695 21 1HG GLU 4 2HG GLU 4 1.217 -2.287 -2.252 22 2HG GLU 4 1HG GLU 4 1.579 -3.210 -3.709 23 H THR 5 H THR 5 -0.235 -2.025 -4.655 24 HA THR 5 HA THR 5 -1.944 -0.148 -3.185 25 HB THR 5 HB THR 5 -3.881 -1.273 -4.131 26 HG1 THR 5 1HG THR 5 -2.094 -2.778 -5.772 27 1HG2 THR 5 1HG2 THR 5 -3.671 0.288 -5.714 28 2HG2 THR 5 2HG2 THR 5 -2.887 -0.933 -6.720 29 3HG2 THR 5 3HG2 THR 5 -1.911 0.145 -5.721 30 H CYS 6 H CYS 6 -3.159 -0.854 -1.468 31 HA CYS 6 HA CYS 6 -2.561 -3.584 -0.545 32 1HB CYS 6 2HB CYS 6 -2.924 -2.626 1.786 33 2HB CYS 6 1HB CYS 6 -1.429 -2.228 0.964 34 H VAL 7 H VAL 7 -4.621 -3.057 -2.190 35 HA VAL 7 HA VAL 7 -7.111 -2.459 -1.114 36 HB VAL 7 HB VAL 7 -6.587 -4.566 -3.223 37 1HG1 VAL 7 1HG1 VAL 7 -8.923 -2.768 -3.367 38 2HG1 VAL 7 2HG1 VAL 7 -8.947 -3.979 -2.086 39 3HG1 VAL 7 3HG1 VAL 7 -8.778 -4.479 -3.769 40 1HG2 VAL 7 1HG2 VAL 7 -6.903 -1.587 -3.585 41 2HG2 VAL 7 2HG2 VAL 7 -6.726 -2.782 -4.870 42 3HG2 VAL 7 3HG2 VAL 7 -5.395 -2.487 -3.752 43 H GLY 8 H GLY 8 -5.079 -5.201 -0.633 44 1HA GLY 8 2HA GLY 8 -7.287 -6.699 0.636 45 2HA GLY 8 1HA GLY 8 -5.758 -7.398 0.113 46 H GLY 9 H GLY 9 -5.800 -4.343 1.711 47 1HA GLY 9 2HA GLY 9 -4.974 -3.624 3.717 48 2HA GLY 9 1HA GLY 9 -5.624 -5.109 4.396 49 H THR 10 H THR 10 -3.116 -4.888 1.905 50 HA THR 10 HA THR 10 -1.064 -5.545 3.864 51 HB THR 10 HB THR 10 -0.483 -7.461 2.027 52 HG1 THR 10 1HG THR 10 -3.310 -7.584 2.407 53 1HG2 THR 10 1HG2 THR 10 -0.385 -8.591 3.936 54 2HG2 THR 10 2HG2 THR 10 -2.146 -8.695 3.968 55 3HG2 THR 10 3HG2 THR 10 -1.329 -7.336 4.739 56 H CYS 11 H CYS 11 0.953 -5.019 3.267 57 HA CYS 11 HA CYS 11 1.421 -4.115 0.512 58 1HB CYS 11 2HB CYS 11 2.399 -2.789 3.050 59 2HB CYS 11 1HB CYS 11 2.902 -2.333 1.427 60 H ASN 12 H ASN 12 3.214 -4.906 -0.388 61 HA ASN 12 HA ASN 12 4.766 -6.842 1.098 62 1HB ASN 12 2HB ASN 12 4.865 -5.925 -1.783 63 2HB ASN 12 1HB ASN 12 5.934 -7.155 -1.115 64 1HD2 ASN 12 1HD2 ASN 12 2.829 -6.437 -2.331 65 2HD2 ASN 12 2HD2 ASN 12 2.166 -8.035 -2.200 66 H THR 13 H THR 13 5.114 -3.632 -0.235 67 HA THR 13 HA THR 13 7.935 -3.462 0.268 68 HB THR 13 HB THR 13 6.282 -0.999 0.011 69 HG1 THR 13 1HG THR 13 5.336 -2.427 -1.531 70 1HG2 THR 13 1HG2 THR 13 8.398 -1.118 -1.832 71 2HG2 THR 13 2HG2 THR 13 9.013 -1.847 -0.348 72 3HG2 THR 13 3HG2 THR 13 8.348 -0.214 -0.318 73 HA PRO 14 HA PRO 14 7.327 -2.927 4.689 74 1HB PRO 14 2HB PRO 14 10.217 -2.295 4.561 75 2HB PRO 14 1HB PRO 14 9.369 -3.497 5.534 76 1HG PRO 14 2HG PRO 14 10.838 -4.238 3.443 77 2HG PRO 14 1HG PRO 14 9.298 -5.043 3.803 78 1HD PRO 14 2HD PRO 14 9.910 -2.954 1.743 79 2HD PRO 14 1HD PRO 14 8.901 -4.410 1.605 80 H GLY 15 H GLY 15 9.222 -0.651 2.765 81 1HA GLY 15 2HA GLY 15 9.068 1.436 4.723 82 2HA GLY 15 1HA GLY 15 9.663 1.587 3.086 83 H CYS 16 H CYS 16 6.460 0.436 3.918 84 HA CYS 16 HA CYS 16 5.276 3.012 3.310 85 1HB CYS 16 2HB CYS 16 5.099 0.668 1.457 86 2HB CYS 16 1HB CYS 16 3.713 1.746 1.612 87 H THR 17 H THR 17 3.304 3.314 4.141 88 HA THR 17 HA THR 17 2.288 1.228 5.906 89 HB THR 17 HB THR 17 2.563 3.497 6.837 90 HG1 THR 17 1HG THR 17 0.950 2.763 7.990 91 1HG2 THR 17 1HG2 THR 17 1.974 5.347 5.752 92 2HG2 THR 17 2HG2 THR 17 0.305 4.792 5.621 93 3HG2 THR 17 3HG2 THR 17 1.483 4.343 4.387 94 H CYS 18 H CYS 18 -0.508 2.427 5.649 95 HA CYS 18 HA CYS 18 -1.188 1.879 2.900 96 1HB CYS 18 2HB CYS 18 -1.048 -0.396 3.632 97 2HB CYS 18 1HB CYS 18 -1.976 -0.044 5.088 98 H SER 19 H SER 19 -2.852 3.016 2.306 99 HA SER 19 HA SER 19 -4.541 4.302 4.332 100 1HB SER 19 2HB SER 19 -4.551 4.735 1.328 101 2HB SER 19 1HB SER 19 -5.245 5.788 2.562 102 HG SER 19 HG SER 19 -2.901 5.784 3.347 103 H TRP 20 H TRP 20 -4.740 2.489 1.347 104 HA TRP 20 HA TRP 20 -6.392 0.508 2.125 105 1HB TRP 20 2HB TRP 20 -8.390 1.685 2.392 106 2HB TRP 20 1HB TRP 20 -8.044 2.772 1.040 107 HD1 TRP 20 HD TRP 20 -8.306 -1.117 1.244 108 HE1 TRP 20 1HE TRP 20 -9.675 -1.917 -0.776 109 HE3 TRP 20 3HE TRP 20 -9.501 3.421 -0.773 110 HZ2 TRP 20 2HZ TRP 20 -11.106 -0.772 -2.918 111 HZ3 TRP 20 3HZ TRP 20 -10.853 3.477 -2.814 112 HH2 TRP 20 HH TRP 20 -11.651 1.420 -3.860 113 HA PRO 21 HA PRO 21 -5.894 -0.024 -2.381 114 1HB PRO 21 2HB PRO 21 -6.430 1.779 -4.228 115 2HB PRO 21 1HB PRO 21 -7.735 1.159 -3.207 116 1HG PRO 21 2HG PRO 21 -6.344 3.783 -3.099 117 2HG PRO 21 1HG PRO 21 -8.025 3.391 -2.722 118 1HD PRO 21 2HD PRO 21 -5.866 3.658 -0.884 119 2HD PRO 21 1HD PRO 21 -7.515 3.114 -0.529 120 H VAL 22 H VAL 22 -4.052 2.107 -0.847 121 HA VAL 22 HA VAL 22 -1.885 1.821 -2.741 122 HB VAL 22 HB VAL 22 -1.314 4.313 -2.432 123 1HG1 VAL 22 1HG1 VAL 22 -2.868 4.975 -4.297 124 2HG1 VAL 22 2HG1 VAL 22 -3.613 3.384 -4.133 125 3HG1 VAL 22 3HG1 VAL 22 -1.914 3.521 -4.593 126 1HG2 VAL 22 1HG2 VAL 22 -2.722 5.201 -0.883 127 2HG2 VAL 22 2HG2 VAL 22 -4.064 4.154 -1.346 128 3HG2 VAL 22 3HG2 VAL 22 -3.656 5.557 -2.337 129 H CYS 23 H CYS 23 -0.062 1.470 -1.793 130 HA CYS 23 HA CYS 23 0.159 1.637 1.097 131 1HB CYS 23 2HB CYS 23 2.076 0.624 -1.029 132 2HB CYS 23 1HB CYS 23 2.353 0.496 0.702 133 H THR 24 H THR 24 0.046 3.946 1.196 134 HA THR 24 HA THR 24 1.950 5.613 -0.102 135 HB THR 24 HB THR 24 1.071 7.286 1.699 136 HG1 THR 24 1HG THR 24 -1.267 6.090 1.993 137 1HG2 THR 24 1HG2 THR 24 -1.235 7.206 0.368 138 2HG2 THR 24 2HG2 THR 24 -0.306 6.113 -0.659 139 3HG2 THR 24 3HG2 THR 24 0.260 7.760 -0.384 Start of MODEL 3 1 H VAL 1 H VAL 1 8.913 6.339 -3.043 2 HA VAL 1 HA VAL 1 6.642 5.974 -1.413 3 HB VAL 1 HB VAL 1 5.824 7.950 -2.649 4 1HG1 VAL 1 1HG1 VAL 1 5.579 6.405 -5.171 5 2HG1 VAL 1 2HG1 VAL 1 7.143 7.121 -4.784 6 3HG1 VAL 1 3HG1 VAL 1 5.713 8.145 -4.912 7 1HG2 VAL 1 1HG2 VAL 1 4.129 5.821 -3.778 8 2HG2 VAL 1 2HG2 VAL 1 3.710 7.171 -2.724 9 3HG2 VAL 1 3HG2 VAL 1 4.447 5.717 -2.048 10 H CYS 2 H CYS 2 5.772 3.955 -1.724 11 HA CYS 2 HA CYS 2 7.274 2.171 -3.393 12 1HB CYS 2 2HB CYS 2 4.810 1.510 -1.737 13 2HB CYS 2 1HB CYS 2 6.083 0.402 -2.280 14 H GLY 3 H GLY 3 4.205 3.782 -3.523 15 1HA GLY 3 2HA GLY 3 2.621 3.943 -5.183 16 2HA GLY 3 1HA GLY 3 3.848 3.312 -6.273 17 H GLU 4 H GLU 4 2.992 1.525 -3.507 18 HA GLU 4 HA GLU 4 1.880 -0.607 -5.139 19 1HB GLU 4 2HB GLU 4 3.719 -1.104 -3.590 20 2HB GLU 4 1HB GLU 4 2.760 -0.506 -2.246 21 1HG GLU 4 2HG GLU 4 1.190 -2.304 -2.514 22 2HG GLU 4 1HG GLU 4 2.040 -2.863 -3.944 23 H THR 5 H THR 5 -0.082 -1.683 -4.474 24 HA THR 5 HA THR 5 -1.941 0.106 -3.062 25 HB THR 5 HB THR 5 -3.776 -1.092 -4.127 26 HG1 THR 5 1HG THR 5 -2.022 -2.962 -4.545 27 1HG2 THR 5 1HG2 THR 5 -3.566 0.566 -5.619 28 2HG2 THR 5 2HG2 THR 5 -2.740 -0.600 -6.658 29 3HG2 THR 5 3HG2 THR 5 -1.804 0.463 -5.607 30 H CYS 6 H CYS 6 -3.163 -0.717 -1.392 31 HA CYS 6 HA CYS 6 -2.530 -3.482 -0.615 32 1HB CYS 6 2HB CYS 6 -2.932 -2.687 1.765 33 2HB CYS 6 1HB CYS 6 -1.438 -2.199 0.991 34 H VAL 7 H VAL 7 -4.571 -2.890 -2.259 35 HA VAL 7 HA VAL 7 -7.086 -2.393 -1.208 36 HB VAL 7 HB VAL 7 -6.481 -4.388 -3.401 37 1HG1 VAL 7 1HG1 VAL 7 -8.846 -4.141 -2.393 38 2HG1 VAL 7 2HG1 VAL 7 -8.662 -4.105 -4.147 39 3HG1 VAL 7 3HG1 VAL 7 -8.879 -2.601 -3.252 40 1HG2 VAL 7 1HG2 VAL 7 -6.265 -1.448 -3.323 41 2HG2 VAL 7 2HG2 VAL 7 -7.086 -2.128 -4.728 42 3HG2 VAL 7 3HG2 VAL 7 -5.437 -2.622 -4.345 43 H GLY 8 H GLY 8 -5.025 -5.129 -0.808 44 1HA GLY 8 2HA GLY 8 -7.240 -6.711 0.340 45 2HA GLY 8 1HA GLY 8 -5.689 -7.367 -0.176 46 H GLY 9 H GLY 9 -5.807 -4.386 1.550 47 1HA GLY 9 2HA GLY 9 -5.039 -3.742 3.602 48 2HA GLY 9 1HA GLY 9 -5.689 -5.261 4.203 49 H THR 10 H THR 10 -3.122 -4.919 1.785 50 HA THR 10 HA THR 10 -1.114 -5.629 3.773 51 HB THR 10 HB THR 10 -0.457 -7.481 1.911 52 HG1 THR 10 1HG THR 10 -3.299 -7.629 2.139 53 1HG2 THR 10 1HG2 THR 10 -0.359 -8.267 4.050 54 2HG2 THR 10 2HG2 THR 10 -1.846 -9.063 3.534 55 3HG2 THR 10 3HG2 THR 10 -1.924 -7.584 4.492 56 H CYS 11 H CYS 11 0.918 -5.063 3.247 57 HA CYS 11 HA CYS 11 1.438 -4.048 0.540 58 1HB CYS 11 2HB CYS 11 2.300 -2.814 3.160 59 2HB CYS 11 1HB CYS 11 2.923 -2.319 1.591 60 H ASN 12 H ASN 12 3.231 -4.777 -0.366 61 HA ASN 12 HA ASN 12 4.779 -6.789 1.011 62 1HB ASN 12 2HB ASN 12 4.900 -5.661 -1.791 63 2HB ASN 12 1HB ASN 12 5.997 -6.908 -1.206 64 1HD2 ASN 12 1HD2 ASN 12 2.829 -6.165 -2.297 65 2HD2 ASN 12 2HD2 ASN 12 2.230 -7.793 -2.327 66 H THR 13 H THR 13 5.244 -3.527 -0.234 67 HA THR 13 HA THR 13 8.026 -3.442 0.462 68 HB THR 13 HB THR 13 6.389 -0.967 0.062 69 HG1 THR 13 1HG THR 13 5.703 -2.342 -1.622 70 1HG2 THR 13 1HG2 THR 13 8.389 -0.087 -0.817 71 2HG2 THR 13 2HG2 THR 13 9.082 -1.689 -1.072 72 3HG2 THR 13 3HG2 THR 13 8.905 -1.056 0.564 73 HA PRO 14 HA PRO 14 7.200 -2.895 4.839 74 1HB PRO 14 2HB PRO 14 10.099 -2.286 4.857 75 2HB PRO 14 1HB PRO 14 9.195 -3.483 5.782 76 1HG PRO 14 2HG PRO 14 10.760 -4.232 3.765 77 2HG PRO 14 1HG PRO 14 9.198 -5.024 4.044 78 1HD PRO 14 2HD PRO 14 9.929 -2.935 2.024 79 2HD PRO 14 1HD PRO 14 8.916 -4.382 1.831 80 H GLY 15 H GLY 15 9.195 -0.636 3.002 81 1HA GLY 15 2HA GLY 15 8.988 1.457 4.947 82 2HA GLY 15 1HA GLY 15 9.636 1.601 3.329 83 H CYS 16 H CYS 16 6.406 0.492 4.116 84 HA CYS 16 HA CYS 16 5.250 3.059 3.429 85 1HB CYS 16 2HB CYS 16 5.121 0.686 1.617 86 2HB CYS 16 1HB CYS 16 3.703 1.725 1.742 87 H THR 17 H THR 17 3.245 3.379 4.227 88 HA THR 17 HA THR 17 2.257 1.371 6.086 89 HB THR 17 HB THR 17 0.860 3.982 5.677 90 HG1 THR 17 1HG THR 17 3.495 3.655 6.681 91 1HG2 THR 17 1HG2 THR 17 0.563 2.010 7.490 92 2HG2 THR 17 2HG2 THR 17 0.192 3.700 7.834 93 3HG2 THR 17 3HG2 THR 17 1.738 3.017 8.335 94 H CYS 18 H CYS 18 -0.556 2.562 5.700 95 HA CYS 18 HA CYS 18 -1.300 1.901 3.034 96 1HB CYS 18 2HB CYS 18 -0.956 -0.384 3.698 97 2HB CYS 18 1HB CYS 18 -1.838 -0.132 5.203 98 H SER 19 H SER 19 -3.165 2.789 2.532 99 HA SER 19 HA SER 19 -4.872 3.809 4.713 100 1HB SER 19 2HB SER 19 -5.845 5.164 2.674 101 2HB SER 19 1HB SER 19 -4.326 5.673 3.411 102 HG SER 19 HG SER 19 -3.258 5.075 1.680 103 H TRP 20 H TRP 20 -4.961 2.414 1.491 104 HA TRP 20 HA TRP 20 -6.524 0.265 2.057 105 1HB TRP 20 2HB TRP 20 -8.565 1.352 2.385 106 2HB TRP 20 1HB TRP 20 -8.236 2.555 1.131 107 HD1 TRP 20 HD TRP 20 -8.397 -1.343 1.051 108 HE1 TRP 20 1HE TRP 20 -9.678 -2.032 -1.065 109 HE3 TRP 20 3HE TRP 20 -9.623 3.296 -0.699 110 HZ2 TRP 20 2HZ TRP 20 -11.055 -0.770 -3.178 111 HZ3 TRP 20 3HZ TRP 20 -10.906 3.463 -2.780 112 HH2 TRP 20 HH TRP 20 -11.617 1.468 -3.989 113 HA PRO 21 HA PRO 21 -5.950 0.119 -2.455 114 1HB PRO 21 2HB PRO 21 -6.467 2.044 -4.166 115 2HB PRO 21 1HB PRO 21 -7.785 1.332 -3.227 116 1HG PRO 21 2HG PRO 21 -6.437 3.959 -2.884 117 2HG PRO 21 1HG PRO 21 -8.121 3.518 -2.583 118 1HD PRO 21 2HD PRO 21 -6.017 3.671 -0.669 119 2HD PRO 21 1HD PRO 21 -7.663 3.069 -0.403 120 H VAL 22 H VAL 22 -4.192 2.177 -0.737 121 HA VAL 22 HA VAL 22 -1.953 2.010 -2.555 122 HB VAL 22 HB VAL 22 -1.394 4.473 -2.083 123 1HG1 VAL 22 1HG1 VAL 22 -2.915 5.248 -3.949 124 2HG1 VAL 22 2HG1 VAL 22 -3.624 3.633 -3.913 125 3HG1 VAL 22 3HG1 VAL 22 -1.915 3.839 -4.304 126 1HG2 VAL 22 1HG2 VAL 22 -4.212 4.292 -1.155 127 2HG2 VAL 22 2HG2 VAL 22 -3.682 5.763 -1.976 128 3HG2 VAL 22 3HG2 VAL 22 -2.867 5.231 -0.504 129 H CYS 23 H CYS 23 -0.154 1.662 -1.556 130 HA CYS 23 HA CYS 23 -0.111 1.348 1.293 131 1HB CYS 23 2HB CYS 23 1.896 0.901 -0.928 132 2HB CYS 23 1HB CYS 23 2.335 0.671 0.761 133 H THR 24 H THR 24 -0.663 3.821 1.255 134 HA THR 24 HA THR 24 1.452 5.173 2.508 135 HB THR 24 HB THR 24 2.353 5.423 0.226 136 HG1 THR 24 1HG THR 24 3.000 7.261 1.036 137 1HG2 THR 24 1HG2 THR 24 -0.415 6.208 -0.343 138 2HG2 THR 24 2HG2 THR 24 0.822 5.554 -1.417 139 3HG2 THR 24 3HG2 THR 24 0.799 7.279 -1.046 Start of MODEL 4 1 H VAL 1 H VAL 1 3.067 7.194 -2.944 2 HA VAL 1 HA VAL 1 4.979 7.107 -4.302 3 HB VAL 1 HB VAL 1 6.954 7.469 -2.882 4 1HG1 VAL 1 1HG1 VAL 1 4.389 8.851 -2.482 5 2HG1 VAL 1 2HG1 VAL 1 5.957 9.484 -2.981 6 3HG1 VAL 1 3HG1 VAL 1 5.629 9.186 -1.275 7 1HG2 VAL 1 1HG2 VAL 1 5.268 6.109 -0.890 8 2HG2 VAL 1 2HG2 VAL 1 6.155 7.514 -0.297 9 3HG2 VAL 1 3HG2 VAL 1 7.024 6.171 -1.040 10 H CYS 2 H CYS 2 4.313 4.397 -2.390 11 HA CYS 2 HA CYS 2 6.638 2.855 -3.095 12 1HB CYS 2 2HB CYS 2 4.025 1.764 -2.028 13 2HB CYS 2 1HB CYS 2 5.648 1.091 -1.835 14 H GLY 3 H GLY 3 3.595 3.604 -4.458 15 1HA GLY 3 2HA GLY 3 2.670 3.084 -6.497 16 2HA GLY 3 1HA GLY 3 4.190 2.301 -6.906 17 H GLU 4 H GLU 4 2.540 1.376 -4.055 18 HA GLU 4 HA GLU 4 1.691 -1.133 -5.328 19 1HB GLU 4 2HB GLU 4 3.576 -1.427 -3.772 20 2HB GLU 4 1HB GLU 4 2.645 -0.656 -2.496 21 1HG GLU 4 2HG GLU 4 1.020 -2.458 -2.581 22 2HG GLU 4 1HG GLU 4 1.930 -3.217 -3.875 23 H THR 5 H THR 5 -0.246 -2.073 -4.542 24 HA THR 5 HA THR 5 -2.044 -0.157 -3.221 25 HB THR 5 HB THR 5 -3.924 -1.346 -4.174 26 HG1 THR 5 1HG THR 5 -2.236 -3.309 -4.488 27 1HG2 THR 5 1HG2 THR 5 -2.900 -1.106 -6.755 28 2HG2 THR 5 2HG2 THR 5 -1.933 0.017 -5.797 29 3HG2 THR 5 3HG2 THR 5 -3.693 0.159 -5.813 30 H CYS 6 H CYS 6 -3.225 -0.839 -1.480 31 HA CYS 6 HA CYS 6 -2.612 -3.554 -0.515 32 1HB CYS 6 2HB CYS 6 -3.057 -2.538 1.792 33 2HB CYS 6 1HB CYS 6 -1.535 -2.177 1.001 34 H VAL 7 H VAL 7 -4.659 -3.106 -2.196 35 HA VAL 7 HA VAL 7 -7.175 -2.532 -1.172 36 HB VAL 7 HB VAL 7 -6.578 -4.674 -3.225 37 1HG1 VAL 7 1HG1 VAL 7 -8.920 -3.016 -3.643 38 2HG1 VAL 7 2HG1 VAL 7 -8.988 -3.888 -2.112 39 3HG1 VAL 7 3HG1 VAL 7 -8.769 -4.773 -3.623 40 1HG2 VAL 7 1HG2 VAL 7 -5.664 -2.149 -3.427 41 2HG2 VAL 7 2HG2 VAL 7 -7.275 -1.951 -4.114 42 3HG2 VAL 7 3HG2 VAL 7 -6.158 -3.125 -4.811 43 H GLY 8 H GLY 8 -5.099 -5.229 -0.608 44 1HA GLY 8 2HA GLY 8 -7.296 -6.740 0.663 45 2HA GLY 8 1HA GLY 8 -5.745 -7.420 0.183 46 H GLY 9 H GLY 9 -5.877 -4.329 1.707 47 1HA GLY 9 2HA GLY 9 -5.089 -3.545 3.704 48 2HA GLY 9 1HA GLY 9 -5.744 -5.014 4.412 49 H THR 10 H THR 10 -3.174 -4.834 1.977 50 HA THR 10 HA THR 10 -1.168 -5.424 4.007 51 HB THR 10 HB THR 10 -0.497 -7.390 2.287 52 HG1 THR 10 1HG THR 10 -3.343 -7.521 2.439 53 1HG2 THR 10 1HG2 THR 10 -1.391 -7.206 4.918 54 2HG2 THR 10 2HG2 THR 10 -0.665 -8.615 4.144 55 3HG2 THR 10 3HG2 THR 10 -2.419 -8.434 4.181 56 H CYS 11 H CYS 11 0.866 -4.881 3.442 57 HA CYS 11 HA CYS 11 1.362 -4.013 0.681 58 1HB CYS 11 2HB CYS 11 2.225 -2.629 3.221 59 2HB CYS 11 1HB CYS 11 2.814 -2.212 1.619 60 H ASN 12 H ASN 12 3.193 -4.691 -0.198 61 HA ASN 12 HA ASN 12 4.817 -6.584 1.286 62 1HB ASN 12 2HB ASN 12 4.778 -5.751 -1.618 63 2HB ASN 12 1HB ASN 12 5.904 -6.935 -0.961 64 1HD2 ASN 12 1HD2 ASN 12 2.700 -6.307 -2.000 65 2HD2 ASN 12 2HD2 ASN 12 2.097 -7.923 -1.822 66 H THR 13 H THR 13 5.136 -3.414 -0.234 67 HA THR 13 HA THR 13 7.933 -3.175 -0.054 68 HB THR 13 HB THR 13 6.134 -0.807 0.313 69 HG1 THR 13 1HG THR 13 5.214 -2.046 -1.411 70 1HG2 THR 13 1HG2 THR 13 8.827 -1.025 0.068 71 2HG2 THR 13 2HG2 THR 13 7.905 0.391 -0.434 72 3HG2 THR 13 3HG2 THR 13 8.363 -0.829 -1.622 73 HA PRO 14 HA PRO 14 8.155 -3.048 4.418 74 1HB PRO 14 2HB PRO 14 11.016 -2.595 3.975 75 2HB PRO 14 1HB PRO 14 10.197 -3.927 4.792 76 1HG PRO 14 2HG PRO 14 11.402 -4.242 2.402 77 2HG PRO 14 1HG PRO 14 9.939 -5.140 2.849 78 1HD PRO 14 2HD PRO 14 10.218 -2.713 1.112 79 2HD PRO 14 1HD PRO 14 9.199 -4.151 0.883 80 H GLY 15 H GLY 15 7.471 -1.257 5.337 81 1HA GLY 15 2HA GLY 15 8.213 0.758 6.493 82 2HA GLY 15 1HA GLY 15 9.106 1.181 5.037 83 H CYS 16 H CYS 16 6.492 -0.058 3.766 84 HA CYS 16 HA CYS 16 5.266 2.551 3.422 85 1HB CYS 16 2HB CYS 16 4.865 -0.096 2.033 86 2HB CYS 16 1HB CYS 16 3.917 1.344 1.652 87 H THR 17 H THR 17 3.343 3.174 4.125 88 HA THR 17 HA THR 17 1.959 1.434 6.005 89 HB THR 17 HB THR 17 2.438 3.770 6.669 90 HG1 THR 17 1HG THR 17 0.701 3.446 7.813 91 1HG2 THR 17 1HG2 THR 17 0.383 5.114 5.196 92 2HG2 THR 17 2HG2 THR 17 1.531 4.384 4.073 93 3HG2 THR 17 3HG2 THR 17 2.100 5.500 5.315 94 H CYS 18 H CYS 18 -0.702 2.574 5.585 95 HA CYS 18 HA CYS 18 -1.323 2.019 2.815 96 1HB CYS 18 2HB CYS 18 -1.198 -0.249 3.581 97 2HB CYS 18 1HB CYS 18 -2.151 0.129 5.016 98 H SER 19 H SER 19 -3.041 3.070 2.154 99 HA SER 19 HA SER 19 -4.763 4.396 4.131 100 1HB SER 19 2HB SER 19 -3.796 5.785 2.298 101 2HB SER 19 1HB SER 19 -4.611 4.761 1.116 102 HG SER 19 HG SER 19 -6.197 5.863 3.112 103 H TRP 20 H TRP 20 -4.897 2.526 1.173 104 HA TRP 20 HA TRP 20 -6.514 0.523 1.984 105 1HB TRP 20 2HB TRP 20 -8.536 1.670 2.206 106 2HB TRP 20 1HB TRP 20 -8.193 2.736 0.837 107 HD1 TRP 20 HD TRP 20 -8.409 -1.151 1.121 108 HE1 TRP 20 1HE TRP 20 -9.744 -2.010 -0.897 109 HE3 TRP 20 3HE TRP 20 -9.621 3.328 -1.014 110 HZ2 TRP 20 2HZ TRP 20 -11.153 -0.928 -3.086 111 HZ3 TRP 20 3HZ TRP 20 -10.945 3.325 -3.074 112 HH2 TRP 20 HH TRP 20 -11.706 1.238 -4.085 113 HA PRO 21 HA PRO 21 -5.961 -0.092 -2.510 114 1HB PRO 21 2HB PRO 21 -6.503 1.662 -4.396 115 2HB PRO 21 1HB PRO 21 -7.810 1.051 -3.373 116 1HG PRO 21 2HG PRO 21 -6.445 3.691 -3.308 117 2HG PRO 21 1HG PRO 21 -8.129 3.291 -2.943 118 1HD PRO 21 2HD PRO 21 -5.994 3.617 -1.084 119 2HD PRO 21 1HD PRO 21 -7.641 3.062 -0.737 120 H VAL 22 H VAL 22 -4.164 2.063 -0.988 121 HA VAL 22 HA VAL 22 -1.967 1.795 -2.848 122 HB VAL 22 HB VAL 22 -1.427 4.293 -2.532 123 1HG1 VAL 22 1HG1 VAL 22 -2.944 4.946 -4.421 124 2HG1 VAL 22 2HG1 VAL 22 -3.706 3.361 -4.263 125 3HG1 VAL 22 3HG1 VAL 22 -2.000 3.482 -4.700 126 1HG2 VAL 22 1HG2 VAL 22 -2.871 5.146 -0.983 127 2HG2 VAL 22 2HG2 VAL 22 -4.206 4.119 -1.507 128 3HG2 VAL 22 3HG2 VAL 22 -3.759 5.536 -2.457 129 H CYS 23 H CYS 23 -0.134 1.478 -1.850 130 HA CYS 23 HA CYS 23 -0.045 1.603 1.042 131 1HB CYS 23 2HB CYS 23 1.989 0.682 -1.019 132 2HB CYS 23 1HB CYS 23 2.239 0.599 0.722 133 H THR 24 H THR 24 0.562 3.343 2.094 134 HA THR 24 HA THR 24 1.516 5.321 2.670 135 HB THR 24 HB THR 24 3.491 4.804 0.437 136 HG1 THR 24 1HG THR 24 4.598 3.621 1.846 137 1HG2 THR 24 1HG2 THR 24 3.127 7.141 1.727 138 2HG2 THR 24 2HG2 THR 24 4.701 6.578 1.166 139 3HG2 THR 24 3HG2 THR 24 4.229 6.343 2.849 Start of MODEL 5 1 H VAL 1 H VAL 1 3.643 6.724 -1.836 2 HA VAL 1 HA VAL 1 4.809 6.969 -4.419 3 HB VAL 1 HB VAL 1 6.912 7.462 -3.225 4 1HG1 VAL 1 1HG1 VAL 1 4.583 8.864 -1.928 5 2HG1 VAL 1 2HG1 VAL 1 5.136 9.181 -3.572 6 3HG1 VAL 1 3HG1 VAL 1 6.203 9.503 -2.204 7 1HG2 VAL 1 1HG2 VAL 1 7.309 6.977 -1.064 8 2HG2 VAL 1 2HG2 VAL 1 5.987 5.828 -1.261 9 3HG2 VAL 1 3HG2 VAL 1 5.677 7.416 -0.562 10 H CYS 2 H CYS 2 4.258 4.336 -2.482 11 HA CYS 2 HA CYS 2 6.610 2.805 -3.119 12 1HB CYS 2 2HB CYS 2 3.994 1.729 -2.036 13 2HB CYS 2 1HB CYS 2 5.624 1.080 -1.800 14 H GLY 3 H GLY 3 3.613 3.520 -4.564 15 1HA GLY 3 2HA GLY 3 2.729 2.957 -6.609 16 2HA GLY 3 1HA GLY 3 4.256 2.165 -6.966 17 H GLU 4 H GLU 4 2.554 1.268 -4.142 18 HA GLU 4 HA GLU 4 1.637 -1.208 -5.432 19 1HB GLU 4 2HB GLU 4 3.496 -1.788 -4.082 20 2HB GLU 4 1HB GLU 4 2.968 -0.749 -2.773 21 1HG GLU 4 2HG GLU 4 1.141 -2.235 -2.279 22 2HG GLU 4 1HG GLU 4 1.561 -3.247 -3.661 23 H THR 5 H THR 5 -0.310 -2.071 -4.675 24 HA THR 5 HA THR 5 -1.989 -0.165 -3.199 25 HB THR 5 HB THR 5 -3.933 -1.267 -4.125 26 HG1 THR 5 1HG THR 5 -2.321 -3.275 -4.539 27 1HG2 THR 5 1HG2 THR 5 -1.949 0.081 -5.766 28 2HG2 THR 5 2HG2 THR 5 -3.705 0.267 -5.737 29 3HG2 THR 5 3HG2 THR 5 -2.966 -0.993 -6.728 30 H CYS 6 H CYS 6 -3.158 -0.856 -1.453 31 HA CYS 6 HA CYS 6 -2.593 -3.602 -0.554 32 1HB CYS 6 2HB CYS 6 -3.002 -2.635 1.775 33 2HB CYS 6 1HB CYS 6 -1.485 -2.263 0.980 34 H VAL 7 H VAL 7 -4.650 -3.054 -2.216 35 HA VAL 7 HA VAL 7 -7.142 -2.467 -1.145 36 HB VAL 7 HB VAL 7 -6.619 -4.549 -3.276 37 1HG1 VAL 7 1HG1 VAL 7 -8.969 -4.081 -2.181 38 2HG1 VAL 7 2HG1 VAL 7 -8.806 -4.341 -3.917 39 3HG1 VAL 7 3HG1 VAL 7 -8.952 -2.703 -3.281 40 1HG2 VAL 7 1HG2 VAL 7 -5.404 -2.537 -3.848 41 2HG2 VAL 7 2HG2 VAL 7 -6.835 -1.553 -3.545 42 3HG2 VAL 7 3HG2 VAL 7 -6.818 -2.693 -4.890 43 H GLY 8 H GLY 8 -5.117 -5.215 -0.678 44 1HA GLY 8 2HA GLY 8 -7.336 -6.716 0.567 45 2HA GLY 8 1HA GLY 8 -5.816 -7.422 0.034 46 H GLY 9 H GLY 9 -5.849 -4.386 1.678 47 1HA GLY 9 2HA GLY 9 -5.021 -3.701 3.694 48 2HA GLY 9 1HA GLY 9 -5.665 -5.200 4.348 49 H THR 10 H THR 10 -3.160 -4.914 1.860 50 HA THR 10 HA THR 10 -1.104 -5.611 3.801 51 HB THR 10 HB THR 10 -0.513 -7.475 1.918 52 HG1 THR 10 1HG THR 10 -3.341 -7.621 2.281 53 1HG2 THR 10 1HG2 THR 10 -0.384 -8.586 3.840 54 2HG2 THR 10 2HG2 THR 10 -2.130 -8.828 3.775 55 3HG2 THR 10 3HG2 THR 10 -1.463 -7.435 4.626 56 H CYS 11 H CYS 11 0.908 -5.052 3.218 57 HA CYS 11 HA CYS 11 1.383 -4.103 0.480 58 1HB CYS 11 2HB CYS 11 2.333 -2.769 3.025 59 2HB CYS 11 1HB CYS 11 2.799 -2.294 1.399 60 H ASN 12 H ASN 12 3.232 -4.821 -0.398 61 HA ASN 12 HA ASN 12 4.811 -6.731 1.094 62 1HB ASN 12 2HB ASN 12 4.942 -5.757 -1.766 63 2HB ASN 12 1HB ASN 12 6.058 -6.943 -1.096 64 1HD2 ASN 12 1HD2 ASN 12 2.926 -6.350 -2.331 65 2HD2 ASN 12 2HD2 ASN 12 2.350 -7.985 -2.259 66 H THR 13 H THR 13 5.053 -3.472 -0.119 67 HA THR 13 HA THR 13 7.847 -3.137 0.324 68 HB THR 13 HB THR 13 5.959 -0.824 0.457 69 HG1 THR 13 1HG THR 13 5.125 -2.089 -1.258 70 1HG2 THR 13 1HG2 THR 13 7.715 0.348 -0.544 71 2HG2 THR 13 2HG2 THR 13 8.445 -1.117 -1.202 72 3HG2 THR 13 3HG2 THR 13 8.552 -0.778 0.526 73 HA PRO 14 HA PRO 14 7.422 -3.261 4.803 74 1HB PRO 14 2HB PRO 14 10.268 -2.457 4.700 75 2HB PRO 14 1HB PRO 14 9.518 -3.843 5.496 76 1HG PRO 14 2HG PRO 14 10.957 -4.150 3.269 77 2HG PRO 14 1HG PRO 14 9.495 -5.113 3.559 78 1HD PRO 14 2HD PRO 14 9.875 -2.724 1.794 79 2HD PRO 14 1HD PRO 14 8.945 -4.208 1.497 80 H GLY 15 H GLY 15 9.317 -0.628 3.326 81 1HA GLY 15 2HA GLY 15 8.744 1.115 5.561 82 2HA GLY 15 1HA GLY 15 9.627 1.536 4.106 83 H CYS 16 H CYS 16 6.401 0.174 4.372 84 HA CYS 16 HA CYS 16 5.259 2.718 3.472 85 1HB CYS 16 2HB CYS 16 4.934 0.078 2.040 86 2HB CYS 16 1HB CYS 16 3.970 1.512 1.692 87 H THR 17 H THR 17 3.358 3.175 4.336 88 HA THR 17 HA THR 17 2.097 1.185 6.057 89 HB THR 17 HB THR 17 2.489 3.493 6.934 90 HG1 THR 17 1HG THR 17 0.846 2.901 8.113 91 1HG2 THR 17 1HG2 THR 17 1.345 5.387 6.133 92 2HG2 THR 17 2HG2 THR 17 0.271 4.418 5.125 93 3HG2 THR 17 3HG2 THR 17 1.971 4.595 4.687 94 H CYS 18 H CYS 18 -0.614 2.166 5.799 95 HA CYS 18 HA CYS 18 -1.201 1.853 2.966 96 1HB CYS 18 2HB CYS 18 -1.122 -0.445 3.598 97 2HB CYS 18 1HB CYS 18 -2.054 -0.139 5.062 98 H SER 19 H SER 19 -2.849 3.018 2.348 99 HA SER 19 HA SER 19 -4.570 4.281 4.359 100 1HB SER 19 2HB SER 19 -4.566 4.703 1.354 101 2HB SER 19 1HB SER 19 -5.279 5.754 2.579 102 HG SER 19 HG SER 19 -2.931 5.760 3.373 103 H TRP 20 H TRP 20 -4.757 2.473 1.365 104 HA TRP 20 HA TRP 20 -6.409 0.487 2.138 105 1HB TRP 20 2HB TRP 20 -8.405 1.663 2.408 106 2HB TRP 20 1HB TRP 20 -8.056 2.759 1.065 107 HD1 TRP 20 HD TRP 20 -8.341 -1.131 1.244 108 HE1 TRP 20 1HE TRP 20 -9.719 -1.910 -0.778 109 HE3 TRP 20 3HE TRP 20 -9.493 3.426 -0.751 110 HZ2 TRP 20 2HZ TRP 20 -11.138 -0.741 -2.917 111 HZ3 TRP 20 3HZ TRP 20 -10.844 3.505 -2.792 112 HH2 TRP 20 HH TRP 20 -11.661 1.462 -3.849 113 HA PRO 21 HA PRO 21 -5.923 -0.029 -2.370 114 1HB PRO 21 2HB PRO 21 -6.447 1.790 -4.205 115 2HB PRO 21 1HB PRO 21 -7.753 1.173 -3.184 116 1HG PRO 21 2HG PRO 21 -6.344 3.787 -3.069 117 2HG PRO 21 1HG PRO 21 -8.027 3.402 -2.682 118 1HD PRO 21 2HD PRO 21 -5.850 3.644 -0.859 119 2HD PRO 21 1HD PRO 21 -7.501 3.117 -0.493 120 H VAL 22 H VAL 22 -4.045 2.125 -0.857 121 HA VAL 22 HA VAL 22 -1.901 1.791 -2.775 122 HB VAL 22 HB VAL 22 -1.319 4.283 -2.532 123 1HG1 VAL 22 1HG1 VAL 22 -3.661 3.330 -4.158 124 2HG1 VAL 22 2HG1 VAL 22 -1.975 3.458 -4.662 125 3HG1 VAL 22 3HG1 VAL 22 -2.921 4.918 -4.368 126 1HG2 VAL 22 1HG2 VAL 22 -2.687 5.200 -0.958 127 2HG2 VAL 22 2HG2 VAL 22 -4.050 4.164 -1.386 128 3HG2 VAL 22 3HG2 VAL 22 -3.641 5.549 -2.399 129 H CYS 23 H CYS 23 -0.038 1.499 -1.871 130 HA CYS 23 HA CYS 23 0.251 1.874 1.025 131 1HB CYS 23 2HB CYS 23 2.132 0.539 -0.955 132 2HB CYS 23 1HB CYS 23 2.260 0.482 0.792 133 H THR 24 H THR 24 1.667 3.423 1.852 134 HA THR 24 HA THR 24 3.670 4.653 0.211 135 HB THR 24 HB THR 24 1.649 5.782 -0.662 136 HG1 THR 24 1HG THR 24 2.467 8.011 0.062 137 1HG2 THR 24 1HG2 THR 24 1.089 7.565 1.474 138 2HG2 THR 24 2HG2 THR 24 0.960 5.920 2.099 139 3HG2 THR 24 3HG2 THR 24 0.004 6.409 0.700 Start of MODEL 6 1 H VAL 1 H VAL 1 5.907 6.590 -1.221 2 HA VAL 1 HA VAL 1 5.042 6.850 -4.023 3 HB VAL 1 HB VAL 1 7.472 7.142 -4.548 4 1HG1 VAL 1 1HG1 VAL 1 7.373 9.404 -2.914 5 2HG1 VAL 1 2HG1 VAL 1 5.690 8.995 -3.249 6 3HG1 VAL 1 3HG1 VAL 1 6.814 9.266 -4.581 7 1HG2 VAL 1 1HG2 VAL 1 8.652 8.023 -2.278 8 2HG2 VAL 1 2HG2 VAL 1 8.844 6.391 -2.919 9 3HG2 VAL 1 3HG2 VAL 1 7.670 6.704 -1.641 10 H CYS 2 H CYS 2 4.665 4.520 -2.369 11 HA CYS 2 HA CYS 2 6.615 2.551 -3.134 12 1HB CYS 2 2HB CYS 2 3.910 1.748 -2.149 13 2HB CYS 2 1HB CYS 2 5.504 1.133 -1.690 14 H GLY 3 H GLY 3 3.533 3.709 -4.279 15 1HA GLY 3 2HA GLY 3 2.389 3.336 -6.238 16 2HA GLY 3 1HA GLY 3 3.861 2.595 -6.857 17 H GLU 4 H GLU 4 2.456 1.447 -3.956 18 HA GLU 4 HA GLU 4 1.615 -1.020 -5.306 19 1HB GLU 4 2HB GLU 4 3.503 -1.214 -3.701 20 2HB GLU 4 1HB GLU 4 2.461 -0.583 -2.434 21 1HG GLU 4 2HG GLU 4 1.005 -2.499 -2.644 22 2HG GLU 4 1HG GLU 4 1.999 -3.118 -3.951 23 H THR 5 H THR 5 -0.301 -2.063 -4.493 24 HA THR 5 HA THR 5 -2.151 -0.199 -3.170 25 HB THR 5 HB THR 5 -4.017 -1.401 -4.172 26 HG1 THR 5 1HG THR 5 -2.242 -2.766 -5.908 27 1HG2 THR 5 1HG2 THR 5 -3.006 -0.981 -6.732 28 2HG2 THR 5 2HG2 THR 5 -2.065 0.108 -5.712 29 3HG2 THR 5 3HG2 THR 5 -3.829 0.205 -5.715 30 H CYS 6 H CYS 6 -3.382 -0.967 -1.490 31 HA CYS 6 HA CYS 6 -2.738 -3.694 -0.593 32 1HB CYS 6 2HB CYS 6 -3.083 -2.748 1.758 33 2HB CYS 6 1HB CYS 6 -1.586 -2.373 0.925 34 H VAL 7 H VAL 7 -4.820 -3.173 -2.197 35 HA VAL 7 HA VAL 7 -7.292 -2.553 -1.119 36 HB VAL 7 HB VAL 7 -6.798 -4.713 -3.178 37 1HG1 VAL 7 1HG1 VAL 7 -9.171 -3.683 -2.040 38 2HG1 VAL 7 2HG1 VAL 7 -9.005 -4.818 -3.380 39 3HG1 VAL 7 3HG1 VAL 7 -9.080 -3.084 -3.696 40 1HG2 VAL 7 1HG2 VAL 7 -5.698 -2.368 -3.500 41 2HG2 VAL 7 2HG2 VAL 7 -7.343 -1.867 -3.894 42 3HG2 VAL 7 3HG2 VAL 7 -6.557 -3.133 -4.837 43 H GLY 8 H GLY 8 -5.295 -5.313 -0.563 44 1HA GLY 8 2HA GLY 8 -7.534 -6.705 0.780 45 2HA GLY 8 1HA GLY 8 -6.066 -7.490 0.209 46 H GLY 9 H GLY 9 -5.825 -4.419 1.739 47 1HA GLY 9 2HA GLY 9 -4.929 -3.726 3.725 48 2HA GLY 9 1HA GLY 9 -5.590 -5.193 4.433 49 H THR 10 H THR 10 -3.202 -5.052 1.823 50 HA THR 10 HA THR 10 -1.127 -5.908 3.716 51 HB THR 10 HB THR 10 -0.428 -7.671 2.025 52 HG1 THR 10 1HG THR 10 -1.816 -6.930 0.329 53 1HG2 THR 10 1HG2 THR 10 -1.933 -9.360 2.910 54 2HG2 THR 10 2HG2 THR 10 -3.069 -8.112 3.422 55 3HG2 THR 10 3HG2 THR 10 -1.482 -8.226 4.183 56 H CYS 11 H CYS 11 0.832 -5.140 3.277 57 HA CYS 11 HA CYS 11 1.378 -4.059 0.605 58 1HB CYS 11 2HB CYS 11 2.037 -2.799 3.263 59 2HB CYS 11 1HB CYS 11 2.786 -2.305 1.753 60 H ASN 12 H ASN 12 3.223 -4.661 -0.253 61 HA ASN 12 HA ASN 12 4.866 -6.588 1.152 62 1HB ASN 12 2HB ASN 12 4.894 -5.518 -1.674 63 2HB ASN 12 1HB ASN 12 6.082 -6.670 -1.074 64 1HD2 ASN 12 1HD2 ASN 12 2.826 -6.171 -2.087 65 2HD2 ASN 12 2HD2 ASN 12 2.358 -7.841 -2.097 66 H THR 13 H THR 13 5.099 -3.305 -0.091 67 HA THR 13 HA THR 13 7.874 -2.967 0.402 68 HB THR 13 HB THR 13 5.892 -0.707 0.461 69 HG1 THR 13 1HG THR 13 5.334 -1.947 -1.371 70 1HG2 THR 13 1HG2 THR 13 8.514 -0.605 0.785 71 2HG2 THR 13 2HG2 THR 13 7.669 0.616 -0.168 72 3HG2 THR 13 3HG2 THR 13 8.507 -0.709 -0.975 73 HA PRO 14 HA PRO 14 7.469 -3.091 4.877 74 1HB PRO 14 2HB PRO 14 10.086 -2.342 5.358 75 2HB PRO 14 1HB PRO 14 9.536 -3.992 5.074 76 1HG PRO 14 2HG PRO 14 10.790 -2.061 3.176 77 2HG PRO 14 1HG PRO 14 11.042 -3.811 3.327 78 1HD PRO 14 2HD PRO 14 9.519 -2.767 1.377 79 2HD PRO 14 1HD PRO 14 9.116 -4.316 2.145 80 H GLY 15 H GLY 15 9.308 -0.420 3.417 81 1HA GLY 15 2HA GLY 15 8.654 1.336 5.613 82 2HA GLY 15 1HA GLY 15 9.532 1.765 4.157 83 H CYS 16 H CYS 16 6.357 0.291 4.380 84 HA CYS 16 HA CYS 16 5.136 2.798 3.490 85 1HB CYS 16 2HB CYS 16 5.034 0.188 1.984 86 2HB CYS 16 1HB CYS 16 3.882 1.496 1.696 87 H THR 17 H THR 17 3.205 3.181 4.288 88 HA THR 17 HA THR 17 2.012 1.188 6.047 89 HB THR 17 HB THR 17 2.316 3.479 6.911 90 HG1 THR 17 1HG THR 17 0.595 3.020 8.028 91 1HG2 THR 17 1HG2 THR 17 1.605 4.346 4.431 92 2HG2 THR 17 2HG2 THR 17 1.651 5.360 5.873 93 3HG2 THR 17 3HG2 THR 17 0.126 4.648 5.344 94 H CYS 18 H CYS 18 -0.737 2.300 5.697 95 HA CYS 18 HA CYS 18 -1.345 1.797 2.915 96 1HB CYS 18 2HB CYS 18 -1.194 -0.489 3.613 97 2HB CYS 18 1HB CYS 18 -2.139 -0.166 5.067 98 H SER 19 H SER 19 -3.042 2.902 2.298 99 HA SER 19 HA SER 19 -4.759 4.168 4.308 100 1HB SER 19 2HB SER 19 -4.725 4.578 1.299 101 2HB SER 19 1HB SER 19 -5.508 5.607 2.498 102 HG SER 19 HG SER 19 -2.821 5.415 1.792 103 H TRP 20 H TRP 20 -4.946 2.365 1.312 104 HA TRP 20 HA TRP 20 -6.570 0.356 2.090 105 1HB TRP 20 2HB TRP 20 -8.582 1.503 2.371 106 2HB TRP 20 1HB TRP 20 -8.253 2.610 1.031 107 HD1 TRP 20 HD TRP 20 -8.478 -1.283 1.196 108 HE1 TRP 20 1HE TRP 20 -9.833 -2.078 -0.835 109 HE3 TRP 20 3HE TRP 20 -9.710 3.262 -0.785 110 HZ2 TRP 20 2HZ TRP 20 -11.271 -0.927 -2.970 111 HZ3 TRP 20 3HZ TRP 20 -11.057 3.323 -2.829 112 HH2 TRP 20 HH TRP 20 -11.834 1.270 -3.896 113 HA PRO 21 HA PRO 21 -6.099 -0.143 -2.424 114 1HB PRO 21 2HB PRO 21 -6.645 1.666 -4.256 115 2HB PRO 21 1HB PRO 21 -7.946 1.044 -3.230 116 1HG PRO 21 2HG PRO 21 -6.540 3.662 -3.111 117 2HG PRO 21 1HG PRO 21 -8.227 3.280 -2.747 118 1HD PRO 21 2HD PRO 21 -6.086 3.528 -0.890 119 2HD PRO 21 1HD PRO 21 -7.735 2.969 -0.552 120 H VAL 22 H VAL 22 -4.271 1.968 -0.873 121 HA VAL 22 HA VAL 22 -2.089 1.707 -2.749 122 HB VAL 22 HB VAL 22 -1.523 4.195 -2.411 123 1HG1 VAL 22 1HG1 VAL 22 -3.810 3.287 -4.139 124 2HG1 VAL 22 2HG1 VAL 22 -2.109 3.442 -4.585 125 3HG1 VAL 22 3HG1 VAL 22 -3.075 4.885 -4.272 126 1HG2 VAL 22 1HG2 VAL 22 -3.862 5.449 -2.310 127 2HG2 VAL 22 2HG2 VAL 22 -2.936 5.074 -0.856 128 3HG2 VAL 22 3HG2 VAL 22 -4.281 4.037 -1.338 129 H CYS 23 H CYS 23 -0.248 1.369 -1.761 130 HA CYS 23 HA CYS 23 -0.136 1.385 1.119 131 1HB CYS 23 2HB CYS 23 1.944 0.731 -0.998 132 2HB CYS 23 1HB CYS 23 2.228 0.583 0.730 133 H THR 24 H THR 24 0.405 3.068 2.301 134 HA THR 24 HA THR 24 1.265 5.054 3.002 135 HB THR 24 HB THR 24 3.049 4.864 0.564 136 HG1 THR 24 1HG THR 24 4.434 3.849 1.864 137 1HG2 THR 24 1HG2 THR 24 2.649 6.976 2.542 138 2HG2 THR 24 2HG2 THR 24 3.489 7.023 0.992 139 3HG2 THR 24 3HG2 THR 24 4.325 6.436 2.430 Start of MODEL 7 1 H VAL 1 H VAL 1 8.284 6.637 -2.561 2 HA VAL 1 HA VAL 1 5.759 6.097 -1.400 3 HB VAL 1 HB VAL 1 5.650 7.130 -4.242 4 1HG1 VAL 1 1HG1 VAL 1 4.008 5.314 -3.086 5 2HG1 VAL 1 2HG1 VAL 1 3.513 6.434 -4.355 6 3HG1 VAL 1 3HG1 VAL 1 3.188 6.818 -2.664 7 1HG2 VAL 1 1HG2 VAL 1 4.161 8.908 -3.122 8 2HG2 VAL 1 2HG2 VAL 1 5.912 9.073 -2.988 9 3HG2 VAL 1 3HG2 VAL 1 4.980 8.441 -1.632 10 H CYS 2 H CYS 2 5.292 3.986 -1.725 11 HA CYS 2 HA CYS 2 7.125 2.413 -3.278 12 1HB CYS 2 2HB CYS 2 4.677 1.516 -1.708 13 2HB CYS 2 1HB CYS 2 5.991 0.484 -2.298 14 H GLY 3 H GLY 3 3.942 3.695 -3.656 15 1HA GLY 3 2HA GLY 3 2.533 3.750 -5.472 16 2HA GLY 3 1HA GLY 3 3.862 3.099 -6.419 17 H GLU 4 H GLU 4 2.888 1.394 -3.654 18 HA GLU 4 HA GLU 4 1.845 -0.791 -5.282 19 1HB GLU 4 2HB GLU 4 3.698 -1.214 -3.686 20 2HB GLU 4 1HB GLU 4 2.666 -0.679 -2.369 21 1HG GLU 4 2HG GLU 4 1.142 -2.534 -2.829 22 2HG GLU 4 1HG GLU 4 2.210 -3.073 -4.117 23 H THR 5 H THR 5 -0.109 -1.931 -4.457 24 HA THR 5 HA THR 5 -1.935 -0.061 -3.103 25 HB THR 5 HB THR 5 -3.810 -1.210 -4.122 26 HG1 THR 5 1HG THR 5 -2.122 -3.144 -4.538 27 1HG2 THR 5 1HG2 THR 5 -3.577 0.406 -5.652 28 2HG2 THR 5 2HG2 THR 5 -2.798 -0.800 -6.679 29 3HG2 THR 5 3HG2 THR 5 -1.818 0.255 -5.661 30 H CYS 6 H CYS 6 -3.131 -0.808 -1.410 31 HA CYS 6 HA CYS 6 -2.554 -3.568 -0.559 32 1HB CYS 6 2HB CYS 6 -2.991 -2.671 1.787 33 2HB CYS 6 1HB CYS 6 -1.474 -2.249 1.017 34 H VAL 7 H VAL 7 -4.585 -3.032 -2.234 35 HA VAL 7 HA VAL 7 -7.101 -2.479 -1.198 36 HB VAL 7 HB VAL 7 -6.531 -4.550 -3.328 37 1HG1 VAL 7 1HG1 VAL 7 -8.837 -2.760 -3.587 38 2HG1 VAL 7 2HG1 VAL 7 -8.918 -3.866 -2.216 39 3HG1 VAL 7 3HG1 VAL 7 -8.713 -4.500 -3.849 40 1HG2 VAL 7 1HG2 VAL 7 -5.882 -1.775 -3.322 41 2HG2 VAL 7 2HG2 VAL 7 -7.187 -2.050 -4.476 42 3HG2 VAL 7 3HG2 VAL 7 -5.680 -2.956 -4.617 43 H GLY 8 H GLY 8 -5.051 -5.211 -0.725 44 1HA GLY 8 2HA GLY 8 -7.271 -6.744 0.478 45 2HA GLY 8 1HA GLY 8 -5.735 -7.429 -0.039 46 H GLY 9 H GLY 9 -5.831 -4.407 1.630 47 1HA GLY 9 2HA GLY 9 -5.032 -3.727 3.661 48 2HA GLY 9 1HA GLY 9 -5.680 -5.232 4.297 49 H THR 10 H THR 10 -3.138 -4.925 1.851 50 HA THR 10 HA THR 10 -1.106 -5.619 3.821 51 HB THR 10 HB THR 10 -0.469 -7.484 1.968 52 HG1 THR 10 1HG THR 10 -3.310 -7.618 2.201 53 1HG2 THR 10 1HG2 THR 10 -2.056 -7.652 4.501 54 2HG2 THR 10 2HG2 THR 10 -0.388 -8.134 4.193 55 3HG2 THR 10 3HG2 THR 10 -1.716 -9.109 3.566 56 H CYS 11 H CYS 11 0.924 -5.059 3.254 57 HA CYS 11 HA CYS 11 1.393 -4.057 0.532 58 1HB CYS 11 2HB CYS 11 2.375 -2.807 3.107 59 2HB CYS 11 1HB CYS 11 2.847 -2.292 1.495 60 H ASN 12 H ASN 12 3.171 -4.829 -0.392 61 HA ASN 12 HA ASN 12 4.743 -6.801 1.010 62 1HB ASN 12 2HB ASN 12 4.832 -5.719 -1.813 63 2HB ASN 12 1HB ASN 12 5.959 -6.934 -1.216 64 1HD2 ASN 12 1HD2 ASN 12 2.771 -6.277 -2.298 65 2HD2 ASN 12 2HD2 ASN 12 2.203 -7.916 -2.291 66 H THR 13 H THR 13 5.154 -3.539 -0.236 67 HA THR 13 HA THR 13 7.947 -3.409 0.398 68 HB THR 13 HB THR 13 6.256 -0.960 0.088 69 HG1 THR 13 1HG THR 13 5.547 -2.329 -1.599 70 1HG2 THR 13 1HG2 THR 13 8.209 0.001 -0.734 71 2HG2 THR 13 2HG2 THR 13 8.892 -1.554 -1.209 72 3HG2 THR 13 3HG2 THR 13 8.824 -1.102 0.495 73 HA PRO 14 HA PRO 14 7.199 -2.982 4.804 74 1HB PRO 14 2HB PRO 14 10.085 -2.308 4.774 75 2HB PRO 14 1HB PRO 14 9.225 -3.538 5.700 76 1HG PRO 14 2HG PRO 14 10.758 -4.226 3.639 77 2HG PRO 14 1HG PRO 14 9.216 -5.050 3.938 78 1HD PRO 14 2HD PRO 14 9.869 -2.922 1.935 79 2HD PRO 14 1HD PRO 14 8.873 -4.381 1.744 80 H GLY 15 H GLY 15 9.129 -0.627 3.006 81 1HA GLY 15 2HA GLY 15 8.870 1.403 5.013 82 2HA GLY 15 1HA GLY 15 9.521 1.609 3.403 83 H CYS 16 H CYS 16 6.315 0.396 4.130 84 HA CYS 16 HA CYS 16 5.104 2.958 3.504 85 1HB CYS 16 2HB CYS 16 5.071 0.638 1.629 86 2HB CYS 16 1HB CYS 16 3.607 1.606 1.770 87 H THR 17 H THR 17 3.182 3.246 4.433 88 HA THR 17 HA THR 17 2.116 1.051 6.030 89 HB THR 17 HB THR 17 2.408 3.286 7.098 90 HG1 THR 17 1HG THR 17 0.847 2.451 8.248 91 1HG2 THR 17 1HG2 THR 17 1.505 5.211 6.338 92 2HG2 THR 17 2HG2 THR 17 0.026 4.423 5.788 93 3HG2 THR 17 3HG2 THR 17 1.481 4.363 4.793 94 H CYS 18 H CYS 18 -0.675 2.035 5.909 95 HA CYS 18 HA CYS 18 -1.277 1.743 3.072 96 1HB CYS 18 2HB CYS 18 -1.210 -0.547 3.742 97 2HB CYS 18 1HB CYS 18 -2.184 -0.217 5.174 98 H SER 19 H SER 19 -2.875 2.942 2.449 99 HA SER 19 HA SER 19 -4.615 4.216 4.442 100 1HB SER 19 2HB SER 19 -4.548 4.657 1.439 101 2HB SER 19 1HB SER 19 -5.289 5.703 2.652 102 HG SER 19 HG SER 19 -2.973 5.718 3.508 103 H TRP 20 H TRP 20 -4.768 2.440 1.434 104 HA TRP 20 HA TRP 20 -6.434 0.449 2.154 105 1HB TRP 20 2HB TRP 20 -8.437 1.619 2.406 106 2HB TRP 20 1HB TRP 20 -8.069 2.732 1.082 107 HD1 TRP 20 HD TRP 20 -8.324 -1.161 1.201 108 HE1 TRP 20 1HE TRP 20 -9.658 -1.923 -0.855 109 HE3 TRP 20 3HE TRP 20 -9.498 3.414 -0.740 110 HZ2 TRP 20 2HZ TRP 20 -11.060 -0.737 -2.996 111 HZ3 TRP 20 3HZ TRP 20 -10.817 3.510 -2.800 112 HH2 TRP 20 HH TRP 20 -11.594 1.474 -3.902 113 HA PRO 21 HA PRO 21 -5.854 0.001 -2.355 114 1HB PRO 21 2HB PRO 21 -6.387 1.832 -4.173 115 2HB PRO 21 1HB PRO 21 -7.699 1.193 -3.172 116 1HG PRO 21 2HG PRO 21 -6.308 3.817 -3.010 117 2HG PRO 21 1HG PRO 21 -7.994 3.418 -2.656 118 1HD PRO 21 2HD PRO 21 -5.850 3.651 -0.794 119 2HD PRO 21 1HD PRO 21 -7.503 3.106 -0.462 120 H VAL 22 H VAL 22 -4.024 2.095 -0.759 121 HA VAL 22 HA VAL 22 -1.866 1.891 -2.677 122 HB VAL 22 HB VAL 22 -1.313 4.374 -2.281 123 1HG1 VAL 22 1HG1 VAL 22 -2.878 5.093 -4.109 124 2HG1 VAL 22 2HG1 VAL 22 -3.626 3.499 -3.994 125 3HG1 VAL 22 3HG1 VAL 22 -1.932 3.647 -4.463 126 1HG2 VAL 22 1HG2 VAL 22 -3.660 5.598 -2.115 127 2HG2 VAL 22 2HG2 VAL 22 -2.716 5.187 -0.682 128 3HG2 VAL 22 3HG2 VAL 22 -4.057 4.154 -1.182 129 H CYS 23 H CYS 23 -0.004 1.591 -1.795 130 HA CYS 23 HA CYS 23 0.292 1.822 1.118 131 1HB CYS 23 2HB CYS 23 2.060 0.486 -0.970 132 2HB CYS 23 1HB CYS 23 2.330 0.429 0.763 133 H THR 24 H THR 24 1.435 3.538 1.913 134 HA THR 24 HA THR 24 3.671 4.646 0.497 135 HB THR 24 HB THR 24 1.850 5.727 -0.751 136 HG1 THR 24 1HG THR 24 2.521 7.956 -0.206 137 1HG2 THR 24 1HG2 THR 24 0.900 6.375 1.990 138 2HG2 THR 24 2HG2 THR 24 -0.018 5.965 0.542 139 3HG2 THR 24 3HG2 THR 24 0.655 7.584 0.730 Start of MODEL 8 1 H VAL 1 H VAL 1 3.688 6.690 -1.771 2 HA VAL 1 HA VAL 1 4.602 6.870 -4.479 3 HB VAL 1 HB VAL 1 6.771 7.534 -3.495 4 1HG1 VAL 1 1HG1 VAL 1 4.912 9.155 -3.828 5 2HG1 VAL 1 2HG1 VAL 1 6.041 9.612 -2.553 6 3HG1 VAL 1 3HG1 VAL 1 4.471 8.926 -2.136 7 1HG2 VAL 1 1HG2 VAL 1 6.347 5.985 -1.443 8 2HG2 VAL 1 2HG2 VAL 1 5.560 7.411 -0.765 9 3HG2 VAL 1 3HG2 VAL 1 7.258 7.481 -1.237 10 H CYS 2 H CYS 2 4.187 4.303 -2.531 11 HA CYS 2 HA CYS 2 6.604 2.840 -3.097 12 1HB CYS 2 2HB CYS 2 3.999 1.726 -2.016 13 2HB CYS 2 1HB CYS 2 5.634 1.085 -1.787 14 H GLY 3 H GLY 3 3.648 3.475 -4.625 15 1HA GLY 3 2HA GLY 3 2.832 2.866 -6.685 16 2HA GLY 3 1HA GLY 3 4.362 2.048 -6.969 17 H GLU 4 H GLU 4 2.591 1.245 -4.167 18 HA GLU 4 HA GLU 4 1.656 -1.246 -5.414 19 1HB GLU 4 2HB GLU 4 3.515 -1.808 -4.046 20 2HB GLU 4 1HB GLU 4 2.973 -0.760 -2.750 21 1HG GLU 4 2HG GLU 4 1.147 -2.242 -2.258 22 2HG GLU 4 1HG GLU 4 1.567 -3.260 -3.634 23 H THR 5 H THR 5 -0.288 -2.093 -4.611 24 HA THR 5 HA THR 5 -1.945 -0.150 -3.161 25 HB THR 5 HB THR 5 -3.917 -1.196 -4.117 26 HG1 THR 5 1HG THR 5 -2.195 -2.763 -5.767 27 1HG2 THR 5 1HG2 THR 5 -3.667 0.345 -5.710 28 2HG2 THR 5 2HG2 THR 5 -2.900 -0.894 -6.707 29 3HG2 THR 5 3HG2 THR 5 -1.911 0.163 -5.701 30 H CYS 6 H CYS 6 -3.176 -0.857 -1.448 31 HA CYS 6 HA CYS 6 -2.607 -3.604 -0.557 32 1HB CYS 6 2HB CYS 6 -3.035 -2.644 1.776 33 2HB CYS 6 1HB CYS 6 -1.509 -2.283 0.992 34 H VAL 7 H VAL 7 -4.654 -3.058 -2.226 35 HA VAL 7 HA VAL 7 -7.155 -2.485 -1.158 36 HB VAL 7 HB VAL 7 -6.616 -4.551 -3.303 37 1HG1 VAL 7 1HG1 VAL 7 -8.944 -4.340 -2.349 38 2HG1 VAL 7 2HG1 VAL 7 -8.802 -4.104 -4.091 39 3HG1 VAL 7 3HG1 VAL 7 -8.980 -2.711 -3.024 40 1HG2 VAL 7 1HG2 VAL 7 -5.940 -2.966 -4.708 41 2HG2 VAL 7 2HG2 VAL 7 -5.822 -1.880 -3.324 42 3HG2 VAL 7 3HG2 VAL 7 -7.300 -1.927 -4.285 43 H GLY 8 H GLY 8 -5.116 -5.228 -0.719 44 1HA GLY 8 2HA GLY 8 -7.326 -6.758 0.508 45 2HA GLY 8 1HA GLY 8 -5.792 -7.442 -0.018 46 H GLY 9 H GLY 9 -5.869 -4.418 1.643 47 1HA GLY 9 2HA GLY 9 -5.063 -3.733 3.668 48 2HA GLY 9 1HA GLY 9 -5.704 -5.238 4.311 49 H THR 10 H THR 10 -3.176 -4.941 1.847 50 HA THR 10 HA THR 10 -1.133 -5.616 3.812 51 HB THR 10 HB THR 10 -0.515 -7.490 1.946 52 HG1 THR 10 1HG THR 10 -3.348 -7.629 2.285 53 1HG2 THR 10 1HG2 THR 10 -1.730 -9.091 3.625 54 2HG2 THR 10 2HG2 THR 10 -1.955 -7.612 4.559 55 3HG2 THR 10 3HG2 THR 10 -0.329 -8.155 4.143 56 H CYS 11 H CYS 11 0.889 -5.061 3.237 57 HA CYS 11 HA CYS 11 1.373 -4.116 0.498 58 1HB CYS 11 2HB CYS 11 2.311 -2.775 3.046 59 2HB CYS 11 1HB CYS 11 2.785 -2.304 1.421 60 H ASN 12 H ASN 12 3.227 -4.832 -0.370 61 HA ASN 12 HA ASN 12 4.804 -6.737 1.134 62 1HB ASN 12 2HB ASN 12 4.939 -5.776 -1.732 63 2HB ASN 12 1HB ASN 12 6.051 -6.962 -1.054 64 1HD2 ASN 12 1HD2 ASN 12 2.916 -6.364 -2.288 65 2HD2 ASN 12 2HD2 ASN 12 2.338 -7.998 -2.213 66 H THR 13 H THR 13 5.042 -3.481 -0.094 67 HA THR 13 HA THR 13 7.835 -3.141 0.343 68 HB THR 13 HB THR 13 5.943 -0.831 0.479 69 HG1 THR 13 1HG THR 13 5.111 -2.102 -1.237 70 1HG2 THR 13 1HG2 THR 13 7.692 0.304 -0.678 71 2HG2 THR 13 2HG2 THR 13 8.501 -1.213 -1.076 72 3HG2 THR 13 3HG2 THR 13 8.465 -0.645 0.593 73 HA PRO 14 HA PRO 14 7.426 -3.258 4.824 74 1HB PRO 14 2HB PRO 14 10.270 -2.453 4.712 75 2HB PRO 14 1HB PRO 14 9.523 -3.841 5.509 76 1HG PRO 14 2HG PRO 14 10.959 -4.144 3.278 77 2HG PRO 14 1HG PRO 14 9.500 -5.110 3.571 78 1HD PRO 14 2HD PRO 14 9.870 -2.718 1.807 79 2HD PRO 14 1HD PRO 14 8.942 -4.204 1.511 80 H GLY 15 H GLY 15 9.319 -0.629 3.336 81 1HA GLY 15 2HA GLY 15 8.753 1.120 5.568 82 2HA GLY 15 1HA GLY 15 9.630 1.537 4.109 83 H CYS 16 H CYS 16 6.407 0.174 4.383 84 HA CYS 16 HA CYS 16 5.257 2.718 3.492 85 1HB CYS 16 2HB CYS 16 4.937 0.084 2.045 86 2HB CYS 16 1HB CYS 16 3.976 1.523 1.703 87 H THR 17 H THR 17 3.357 3.161 4.364 88 HA THR 17 HA THR 17 2.103 1.154 6.067 89 HB THR 17 HB THR 17 2.489 3.452 6.968 90 HG1 THR 17 1HG THR 17 0.844 2.848 8.139 91 1HG2 THR 17 1HG2 THR 17 0.259 4.415 5.204 92 2HG2 THR 17 2HG2 THR 17 1.945 4.551 4.707 93 3HG2 THR 17 3HG2 THR 17 1.390 5.357 6.174 94 H CYS 18 H CYS 18 -0.612 2.150 5.815 95 HA CYS 18 HA CYS 18 -1.197 1.846 2.980 96 1HB CYS 18 2HB CYS 18 -1.124 -0.453 3.598 97 2HB CYS 18 1HB CYS 18 -2.051 -0.153 5.067 98 H SER 19 H SER 19 -2.846 3.012 2.365 99 HA SER 19 HA SER 19 -4.565 4.271 4.380 100 1HB SER 19 2HB SER 19 -4.564 4.701 1.376 101 2HB SER 19 1HB SER 19 -5.274 5.750 2.604 102 HG SER 19 HG SER 19 -2.929 5.757 3.396 103 H TRP 20 H TRP 20 -4.756 2.471 1.384 104 HA TRP 20 HA TRP 20 -6.408 0.483 2.154 105 1HB TRP 20 2HB TRP 20 -8.407 1.652 2.425 106 2HB TRP 20 1HB TRP 20 -8.057 2.757 1.090 107 HD1 TRP 20 HD TRP 20 -8.339 -1.133 1.242 108 HE1 TRP 20 1HE TRP 20 -9.710 -1.900 -0.789 109 HE3 TRP 20 3HE TRP 20 -9.492 3.436 -0.726 110 HZ2 TRP 20 2HZ TRP 20 -11.126 -0.720 -2.923 111 HZ3 TRP 20 3HZ TRP 20 -10.837 3.526 -2.771 112 HH2 TRP 20 HH TRP 20 -11.649 1.488 -3.843 113 HA PRO 21 HA PRO 21 -5.921 -0.018 -2.358 114 1HB PRO 21 2HB PRO 21 -6.451 1.803 -4.185 115 2HB PRO 21 1HB PRO 21 -7.756 1.192 -3.159 116 1HG PRO 21 2HG PRO 21 -6.328 3.797 -3.042 117 2HG PRO 21 1HG PRO 21 -8.014 3.425 -2.660 118 1HD PRO 21 2HD PRO 21 -5.845 3.649 -0.830 119 2HD PRO 21 1HD PRO 21 -7.499 3.122 -0.471 120 H VAL 22 H VAL 22 -4.034 2.101 -0.830 121 HA VAL 22 HA VAL 22 -1.898 1.795 -2.759 122 HB VAL 22 HB VAL 22 -1.311 4.283 -2.481 123 1HG1 VAL 22 1HG1 VAL 22 -3.659 3.364 -4.119 124 2HG1 VAL 22 2HG1 VAL 22 -1.971 3.484 -4.623 125 3HG1 VAL 22 3HG1 VAL 22 -2.906 4.949 -4.310 126 1HG2 VAL 22 1HG2 VAL 22 -3.640 5.546 -2.331 127 2HG2 VAL 22 2HG2 VAL 22 -2.673 5.188 -0.900 128 3HG2 VAL 22 3HG2 VAL 22 -4.034 4.149 -1.327 129 H CYS 23 H CYS 23 -0.014 1.526 -1.867 130 HA CYS 23 HA CYS 23 0.261 1.871 1.038 131 1HB CYS 23 2HB CYS 23 2.143 0.529 -0.935 132 2HB CYS 23 1HB CYS 23 2.262 0.469 0.811 133 H THR 24 H THR 24 1.684 3.411 1.871 134 HA THR 24 HA THR 24 3.697 4.634 0.237 135 HB THR 24 HB THR 24 1.691 5.780 -0.639 136 HG1 THR 24 1HG THR 24 2.509 8.000 0.098 137 1HG2 THR 24 1HG2 THR 24 0.713 7.536 1.011 138 2HG2 THR 24 2HG2 THR 24 1.299 6.436 2.258 139 3HG2 THR 24 3HG2 THR 24 0.123 5.876 1.070 Start of MODEL 9 1 H VAL 1 H VAL 1 3.473 7.122 -3.286 2 HA VAL 1 HA VAL 1 5.456 7.033 -4.406 3 HB VAL 1 HB VAL 1 7.482 7.185 -3.034 4 1HG1 VAL 1 1HG1 VAL 1 7.029 9.296 -2.424 5 2HG1 VAL 1 2HG1 VAL 1 5.673 8.819 -1.403 6 3HG1 VAL 1 3HG1 VAL 1 5.451 8.980 -3.144 7 1HG2 VAL 1 1HG2 VAL 1 6.863 5.482 -1.355 8 2HG2 VAL 1 2HG2 VAL 1 5.698 6.613 -0.669 9 3HG2 VAL 1 3HG2 VAL 1 7.421 6.987 -0.625 10 H CYS 2 H CYS 2 4.548 4.401 -2.469 11 HA CYS 2 HA CYS 2 6.677 2.628 -3.236 12 1HB CYS 2 2HB CYS 2 3.996 1.813 -2.087 13 2HB CYS 2 1HB CYS 2 5.550 0.977 -1.933 14 H GLY 3 H GLY 3 3.633 3.631 -4.489 15 1HA GLY 3 2HA GLY 3 2.556 3.177 -6.466 16 2HA GLY 3 1HA GLY 3 4.052 2.423 -7.000 17 H GLU 4 H GLU 4 2.432 1.391 -4.151 18 HA GLU 4 HA GLU 4 1.551 -1.064 -5.500 19 1HB GLU 4 2HB GLU 4 3.445 -1.618 -4.193 20 2HB GLU 4 1HB GLU 4 2.907 -0.628 -2.851 21 1HG GLU 4 2HG GLU 4 1.116 -2.201 -2.397 22 2HG GLU 4 1HG GLU 4 1.632 -3.187 -3.765 23 H THR 5 H THR 5 -0.370 -2.003 -4.708 24 HA THR 5 HA THR 5 -2.079 -0.144 -3.200 25 HB THR 5 HB THR 5 -4.011 -1.278 -4.137 26 HG1 THR 5 1HG THR 5 -2.349 -3.227 -4.619 27 1HG2 THR 5 1HG2 THR 5 -3.069 -0.895 -6.736 28 2HG2 THR 5 2HG2 THR 5 -2.080 0.180 -5.745 29 3HG2 THR 5 3HG2 THR 5 -3.841 0.310 -5.701 30 H CYS 6 H CYS 6 -3.253 -0.894 -1.469 31 HA CYS 6 HA CYS 6 -2.648 -3.653 -0.644 32 1HB CYS 6 2HB CYS 6 -3.020 -2.785 1.715 33 2HB CYS 6 1HB CYS 6 -1.533 -2.334 0.908 34 H VAL 7 H VAL 7 -4.733 -3.055 -2.272 35 HA VAL 7 HA VAL 7 -7.214 -2.531 -1.144 36 HB VAL 7 HB VAL 7 -6.700 -4.527 -3.360 37 1HG1 VAL 7 1HG1 VAL 7 -8.909 -3.893 -4.150 38 2HG1 VAL 7 2HG1 VAL 7 -9.085 -2.766 -2.806 39 3HG1 VAL 7 3HG1 VAL 7 -8.996 -4.499 -2.496 40 1HG2 VAL 7 1HG2 VAL 7 -6.967 -2.595 -4.892 41 2HG2 VAL 7 2HG2 VAL 7 -5.514 -2.503 -3.897 42 3HG2 VAL 7 3HG2 VAL 7 -6.923 -1.524 -3.492 43 H GLY 8 H GLY 8 -5.163 -5.277 -0.788 44 1HA GLY 8 2HA GLY 8 -7.368 -6.835 0.417 45 2HA GLY 8 1HA GLY 8 -5.850 -7.517 -0.158 46 H GLY 9 H GLY 9 -5.857 -4.546 1.597 47 1HA GLY 9 2HA GLY 9 -5.037 -3.945 3.645 48 2HA GLY 9 1HA GLY 9 -5.630 -5.493 4.230 49 H THR 10 H THR 10 -3.183 -5.021 1.712 50 HA THR 10 HA THR 10 -1.071 -5.749 3.581 51 HB THR 10 HB THR 10 -0.571 -7.462 1.446 52 HG1 THR 10 1HG THR 10 -3.286 -7.702 2.312 53 1HG2 THR 10 1HG2 THR 10 0.045 -8.601 3.251 54 2HG2 THR 10 2HG2 THR 10 -1.650 -9.016 3.513 55 3HG2 THR 10 3HG2 THR 10 -0.961 -7.591 4.291 56 H CYS 11 H CYS 11 0.925 -5.187 2.963 57 HA CYS 11 HA CYS 11 1.368 -4.130 0.265 58 1HB CYS 11 2HB CYS 11 2.278 -2.807 2.832 59 2HB CYS 11 1HB CYS 11 2.756 -2.311 1.220 60 H ASN 12 H ASN 12 3.210 -4.906 -0.598 61 HA ASN 12 HA ASN 12 4.787 -6.730 0.984 62 1HB ASN 12 2HB ASN 12 4.956 -5.865 -1.906 63 2HB ASN 12 1HB ASN 12 6.124 -6.959 -1.169 64 1HD2 ASN 12 1HD2 ASN 12 5.670 -9.051 -1.154 65 2HD2 ASN 12 2HD2 ASN 12 4.139 -9.752 -1.524 66 H THR 13 H THR 13 4.960 -3.477 -0.193 67 HA THR 13 HA THR 13 7.747 -3.107 0.443 68 HB THR 13 HB THR 13 5.882 -0.795 0.203 69 HG1 THR 13 1HG THR 13 5.142 -2.133 -1.469 70 1HG2 THR 13 1HG2 THR 13 7.862 -0.120 -1.334 71 2HG2 THR 13 2HG2 THR 13 8.698 -1.476 -0.578 72 3HG2 THR 13 3HG2 THR 13 8.113 -0.139 0.412 73 HA PRO 14 HA PRO 14 6.726 -2.941 4.824 74 1HB PRO 14 2HB PRO 14 9.576 -2.206 5.081 75 2HB PRO 14 1HB PRO 14 8.687 -3.542 5.816 76 1HG PRO 14 2HG PRO 14 10.421 -3.968 3.829 77 2HG PRO 14 1HG PRO 14 8.914 -4.895 3.949 78 1HD PRO 14 2HD PRO 14 9.580 -2.580 2.166 79 2HD PRO 14 1HD PRO 14 8.686 -4.070 1.793 80 H GLY 15 H GLY 15 8.854 -0.422 3.473 81 1HA GLY 15 2HA GLY 15 8.142 1.429 5.556 82 2HA GLY 15 1HA GLY 15 9.103 1.779 4.135 83 H CYS 16 H CYS 16 5.804 0.551 4.415 84 HA CYS 16 HA CYS 16 4.867 3.040 3.162 85 1HB CYS 16 2HB CYS 16 4.101 0.275 2.220 86 2HB CYS 16 1HB CYS 16 3.541 1.803 1.542 87 H THR 17 H THR 17 3.139 3.870 4.054 88 HA THR 17 HA THR 17 1.668 2.347 6.056 89 HB THR 17 HB THR 17 0.510 4.609 6.389 90 HG1 THR 17 1HG THR 17 1.281 5.388 4.270 91 1HG2 THR 17 1HG2 THR 17 1.960 4.378 8.099 92 2HG2 THR 17 2HG2 THR 17 2.921 5.561 7.213 93 3HG2 THR 17 3HG2 THR 17 3.269 3.841 7.046 94 H CYS 18 H CYS 18 -0.030 1.207 5.381 95 HA CYS 18 HA CYS 18 -1.234 1.687 2.840 96 1HB CYS 18 2HB CYS 18 -1.032 -0.583 3.541 97 2HB CYS 18 1HB CYS 18 -1.876 -0.254 5.054 98 H SER 19 H SER 19 -2.927 2.840 2.337 99 HA SER 19 HA SER 19 -4.563 4.042 4.457 100 1HB SER 19 2HB SER 19 -4.648 4.583 1.471 101 2HB SER 19 1HB SER 19 -5.344 5.575 2.755 102 HG SER 19 HG SER 19 -2.844 5.368 3.386 103 H TRP 20 H TRP 20 -4.828 2.342 1.406 104 HA TRP 20 HA TRP 20 -6.438 0.313 2.163 105 1HB TRP 20 2HB TRP 20 -8.442 1.454 2.521 106 2HB TRP 20 1HB TRP 20 -8.139 2.597 1.205 107 HD1 TRP 20 HD TRP 20 -8.382 -1.298 1.279 108 HE1 TRP 20 1HE TRP 20 -9.777 -2.036 -0.746 109 HE3 TRP 20 3HE TRP 20 -9.611 3.298 -0.578 110 HZ2 TRP 20 2HZ TRP 20 -11.240 -0.826 -2.831 111 HZ3 TRP 20 3HZ TRP 20 -10.991 3.417 -2.598 112 HH2 TRP 20 HH TRP 20 -11.802 1.394 -3.697 113 HA PRO 21 HA PRO 21 -6.086 -0.057 -2.372 114 1HB PRO 21 2HB PRO 21 -6.657 1.814 -4.135 115 2HB PRO 21 1HB PRO 21 -7.937 1.173 -3.096 116 1HG PRO 21 2HG PRO 21 -6.505 3.774 -2.933 117 2HG PRO 21 1HG PRO 21 -8.184 3.394 -2.532 118 1HD PRO 21 2HD PRO 21 -5.986 3.566 -0.733 119 2HD PRO 21 1HD PRO 21 -7.630 3.017 -0.363 120 H VAL 22 H VAL 22 -4.205 2.084 -0.843 121 HA VAL 22 HA VAL 22 -2.076 1.792 -2.781 122 HB VAL 22 HB VAL 22 -1.496 4.272 -2.514 123 1HG1 VAL 22 1HG1 VAL 22 -2.204 3.513 -4.645 124 2HG1 VAL 22 2HG1 VAL 22 -3.161 4.953 -4.288 125 3HG1 VAL 22 3HG1 VAL 22 -3.876 3.349 -4.102 126 1HG2 VAL 22 1HG2 VAL 22 -2.812 5.179 -0.896 127 2HG2 VAL 22 2HG2 VAL 22 -4.186 4.143 -1.285 128 3HG2 VAL 22 3HG2 VAL 22 -3.819 5.541 -2.299 129 H CYS 23 H CYS 23 -0.183 1.565 -1.904 130 HA CYS 23 HA CYS 23 0.079 1.746 0.999 131 1HB CYS 23 2HB CYS 23 1.987 0.683 -1.111 132 2HB CYS 23 1HB CYS 23 2.203 0.532 0.628 133 H THR 24 H THR 24 0.346 3.841 1.535 134 HA THR 24 HA THR 24 1.349 5.854 1.846 135 HB THR 24 HB THR 24 3.629 4.766 0.180 136 HG1 THR 24 1HG THR 24 4.572 4.303 2.172 137 1HG2 THR 24 1HG2 THR 24 3.086 7.379 1.280 138 2HG2 THR 24 2HG2 THR 24 4.412 6.854 0.242 139 3HG2 THR 24 3HG2 THR 24 4.543 6.686 1.993 Start of MODEL 10 1 H VAL 1 H VAL 1 3.176 7.104 -3.365 2 HA VAL 1 HA VAL 1 5.339 7.221 -4.075 3 HB VAL 1 HB VAL 1 5.569 8.196 -1.860 4 1HG1 VAL 1 1HG1 VAL 1 6.542 6.654 -0.036 5 2HG1 VAL 1 2HG1 VAL 1 5.821 5.348 -0.976 6 3HG1 VAL 1 3HG1 VAL 1 4.803 6.635 -0.328 7 1HG2 VAL 1 1HG2 VAL 1 7.717 8.407 -2.365 8 2HG2 VAL 1 2HG2 VAL 1 7.675 6.906 -3.291 9 3HG2 VAL 1 3HG2 VAL 1 8.039 6.867 -1.566 10 H CYS 2 H CYS 2 4.559 4.348 -2.284 11 HA CYS 2 HA CYS 2 6.793 2.826 -3.275 12 1HB CYS 2 2HB CYS 2 4.296 1.784 -1.891 13 2HB CYS 2 1HB CYS 2 5.878 0.991 -1.999 14 H GLY 3 H GLY 3 3.702 3.705 -4.340 15 1HA GLY 3 2HA GLY 3 2.561 3.283 -6.284 16 2HA GLY 3 1HA GLY 3 4.023 2.508 -6.873 17 H GLU 4 H GLU 4 2.609 1.394 -3.958 18 HA GLU 4 HA GLU 4 1.657 -1.016 -5.342 19 1HB GLU 4 2HB GLU 4 3.600 -1.328 -3.817 20 2HB GLU 4 1HB GLU 4 2.619 -0.726 -2.490 21 1HG GLU 4 2HG GLU 4 1.073 -2.591 -2.799 22 2HG GLU 4 1HG GLU 4 2.087 -3.197 -4.100 23 H THR 5 H THR 5 -0.267 -2.005 -4.503 24 HA THR 5 HA THR 5 -2.012 -0.123 -3.060 25 HB THR 5 HB THR 5 -3.936 -1.217 -4.050 26 HG1 THR 5 1HG THR 5 -2.274 -3.181 -4.530 27 1HG2 THR 5 1HG2 THR 5 -1.964 0.233 -5.603 28 2HG2 THR 5 2HG2 THR 5 -3.724 0.360 -5.619 29 3HG2 THR 5 3HG2 THR 5 -2.916 -0.840 -6.630 30 H CYS 6 H CYS 6 -3.196 -0.894 -1.350 31 HA CYS 6 HA CYS 6 -2.631 -3.681 -0.580 32 1HB CYS 6 2HB CYS 6 -2.923 -2.889 1.799 33 2HB CYS 6 1HB CYS 6 -1.463 -2.381 0.975 34 H VAL 7 H VAL 7 -4.706 -3.098 -2.166 35 HA VAL 7 HA VAL 7 -7.172 -2.474 -1.088 36 HB VAL 7 HB VAL 7 -6.701 -4.617 -3.170 37 1HG1 VAL 7 1HG1 VAL 7 -9.051 -2.854 -2.518 38 2HG1 VAL 7 2HG1 VAL 7 -8.980 -4.616 -2.528 39 3HG1 VAL 7 3HG1 VAL 7 -8.894 -3.721 -4.046 40 1HG2 VAL 7 1HG2 VAL 7 -6.684 -2.915 -4.844 41 2HG2 VAL 7 2HG2 VAL 7 -5.473 -2.488 -3.633 42 3HG2 VAL 7 3HG2 VAL 7 -7.031 -1.662 -3.651 43 H GLY 8 H GLY 8 -5.212 -5.260 -0.537 44 1HA GLY 8 2HA GLY 8 -7.477 -6.608 0.811 45 2HA GLY 8 1HA GLY 8 -6.065 -7.445 0.177 46 H GLY 9 H GLY 9 -5.694 -4.416 1.788 47 1HA GLY 9 2HA GLY 9 -4.717 -3.807 3.764 48 2HA GLY 9 1HA GLY 9 -5.383 -5.285 4.444 49 H THR 10 H THR 10 -3.085 -5.111 1.763 50 HA THR 10 HA THR 10 -0.971 -6.083 3.555 51 HB THR 10 HB THR 10 -0.355 -7.779 1.773 52 HG1 THR 10 1HG THR 10 -1.725 -6.930 0.126 53 1HG2 THR 10 1HG2 THR 10 -1.175 -8.840 3.630 54 2HG2 THR 10 2HG2 THR 10 -2.416 -9.290 2.462 55 3HG2 THR 10 3HG2 THR 10 -2.706 -7.965 3.589 56 H CYS 11 H CYS 11 1.002 -5.346 3.092 57 HA CYS 11 HA CYS 11 1.505 -4.154 0.458 58 1HB CYS 11 2HB CYS 11 2.301 -2.985 3.127 59 2HB CYS 11 1HB CYS 11 2.893 -2.410 1.578 60 H ASN 12 H ASN 12 3.306 -4.823 -0.448 61 HA ASN 12 HA ASN 12 4.960 -6.767 0.908 62 1HB ASN 12 2HB ASN 12 4.976 -5.625 -1.892 63 2HB ASN 12 1HB ASN 12 6.172 -6.789 -1.328 64 1HD2 ASN 12 1HD2 ASN 12 2.910 -6.279 -2.317 65 2HD2 ASN 12 2HD2 ASN 12 2.449 -7.951 -2.364 66 H THR 13 H THR 13 5.224 -3.486 -0.328 67 HA THR 13 HA THR 13 7.991 -3.187 0.330 68 HB THR 13 HB THR 13 6.174 -0.831 0.089 69 HG1 THR 13 1HG THR 13 5.439 -2.185 -1.589 70 1HG2 THR 13 1HG2 THR 13 8.245 -0.340 -1.518 71 2HG2 THR 13 2HG2 THR 13 9.005 -1.547 -0.482 72 3HG2 THR 13 3HG2 THR 13 8.333 -0.076 0.223 73 HA PRO 14 HA PRO 14 7.143 -2.986 4.729 74 1HB PRO 14 2HB PRO 14 9.983 -2.184 4.874 75 2HB PRO 14 1HB PRO 14 9.151 -3.533 5.652 76 1HG PRO 14 2HG PRO 14 10.812 -3.940 3.602 77 2HG PRO 14 1HG PRO 14 9.326 -4.891 3.782 78 1HD PRO 14 2HD PRO 14 9.887 -2.576 1.966 79 2HD PRO 14 1HD PRO 14 9.002 -4.081 1.634 80 H GLY 15 H GLY 15 9.170 -0.403 3.330 81 1HA GLY 15 2HA GLY 15 8.459 1.411 5.452 82 2HA GLY 15 1HA GLY 15 9.390 1.797 4.019 83 H CYS 16 H CYS 16 6.138 0.477 4.321 84 HA CYS 16 HA CYS 16 5.066 2.953 3.145 85 1HB CYS 16 2HB CYS 16 4.356 0.198 2.136 86 2HB CYS 16 1HB CYS 16 3.880 1.743 1.433 87 H THR 17 H THR 17 3.234 3.607 4.064 88 HA THR 17 HA THR 17 1.914 1.795 5.934 89 HB THR 17 HB THR 17 2.314 3.854 6.979 90 HG1 THR 17 1HG THR 17 0.285 4.398 7.581 91 1HG2 THR 17 1HG2 THR 17 0.882 5.777 5.448 92 2HG2 THR 17 2HG2 THR 17 2.035 4.966 4.387 93 3HG2 THR 17 3HG2 THR 17 2.597 5.758 5.860 94 H CYS 18 H CYS 18 -0.176 1.202 5.733 95 HA CYS 18 HA CYS 18 -1.231 1.461 3.032 96 1HB CYS 18 2HB CYS 18 -1.062 -0.793 3.830 97 2HB CYS 18 1HB CYS 18 -1.975 -0.399 5.286 98 H SER 19 H SER 19 -2.835 2.679 2.498 99 HA SER 19 HA SER 19 -4.482 3.955 4.574 100 1HB SER 19 2HB SER 19 -4.509 4.493 1.588 101 2HB SER 19 1HB SER 19 -5.138 5.528 2.873 102 HG SER 19 HG SER 19 -2.652 5.171 3.496 103 H TRP 20 H TRP 20 -4.732 2.279 1.514 104 HA TRP 20 HA TRP 20 -6.420 0.298 2.211 105 1HB TRP 20 2HB TRP 20 -8.392 1.511 2.541 106 2HB TRP 20 1HB TRP 20 -8.035 2.637 1.225 107 HD1 TRP 20 HD TRP 20 -8.355 -1.250 1.295 108 HE1 TRP 20 1HE TRP 20 -9.747 -1.959 -0.743 109 HE3 TRP 20 3HE TRP 20 -9.500 3.372 -0.551 110 HZ2 TRP 20 2HZ TRP 20 -11.175 -0.720 -2.834 111 HZ3 TRP 20 3HZ TRP 20 -10.864 3.519 -2.581 112 HH2 TRP 20 HH TRP 20 -11.694 1.512 -3.694 113 HA PRO 21 HA PRO 21 -5.925 -0.045 -2.313 114 1HB PRO 21 2HB PRO 21 -6.479 1.822 -4.083 115 2HB PRO 21 1HB PRO 21 -7.778 1.174 -3.072 116 1HG PRO 21 2HG PRO 21 -6.365 3.784 -2.883 117 2HG PRO 21 1HG PRO 21 -8.048 3.392 -2.508 118 1HD PRO 21 2HD PRO 21 -5.872 3.573 -0.676 119 2HD PRO 21 1HD PRO 21 -7.524 3.031 -0.329 120 H VAL 22 H VAL 22 -4.065 1.974 -0.690 121 HA VAL 22 HA VAL 22 -1.925 1.817 -2.627 122 HB VAL 22 HB VAL 22 -1.344 4.281 -2.147 123 1HG1 VAL 22 1HG1 VAL 22 -3.673 3.496 -3.882 124 2HG1 VAL 22 2HG1 VAL 22 -1.979 3.639 -4.353 125 3HG1 VAL 22 3HG1 VAL 22 -2.904 5.083 -3.943 126 1HG2 VAL 22 1HG2 VAL 22 -2.725 5.078 -0.530 127 2HG2 VAL 22 2HG2 VAL 22 -4.069 4.044 -1.020 128 3HG2 VAL 22 3HG2 VAL 22 -3.700 5.508 -1.937 129 H CYS 23 H CYS 23 -0.056 1.472 -1.750 130 HA CYS 23 HA CYS 23 0.198 1.474 1.160 131 1HB CYS 23 2HB CYS 23 2.017 0.426 -1.033 132 2HB CYS 23 1HB CYS 23 2.358 0.285 0.683 133 H THR 24 H THR 24 -0.008 3.976 0.584 134 HA THR 24 HA THR 24 2.476 5.205 -0.216 135 HB THR 24 HB THR 24 0.030 6.543 0.948 136 HG1 THR 24 1HG THR 24 -0.648 6.755 -1.202 137 1HG2 THR 24 1HG2 THR 24 1.443 8.301 0.878 138 2HG2 THR 24 2HG2 THR 24 1.139 8.258 -0.859 139 3HG2 THR 24 3HG2 THR 24 2.573 7.475 -0.195 Start of MODEL 11 1 H VAL 1 H VAL 1 5.872 6.827 -1.227 2 HA VAL 1 HA VAL 1 4.756 6.809 -3.955 3 HB VAL 1 HB VAL 1 7.095 7.287 -4.740 4 1HG1 VAL 1 1HG1 VAL 1 6.757 9.699 -3.294 5 2HG1 VAL 1 2HG1 VAL 1 5.154 9.048 -3.636 6 3HG1 VAL 1 3HG1 VAL 1 6.286 9.342 -4.956 7 1HG2 VAL 1 1HG2 VAL 1 8.746 8.113 -3.230 8 2HG2 VAL 1 2HG2 VAL 1 8.179 6.574 -2.586 9 3HG2 VAL 1 3HG2 VAL 1 7.613 8.087 -1.880 10 H CYS 2 H CYS 2 4.598 4.593 -2.288 11 HA CYS 2 HA CYS 2 6.774 2.799 -2.852 12 1HB CYS 2 2HB CYS 2 4.041 2.115 -1.708 13 2HB CYS 2 1HB CYS 2 5.520 1.153 -1.604 14 H GLY 3 H GLY 3 3.788 3.695 -4.315 15 1HA GLY 3 2HA GLY 3 2.807 3.082 -6.302 16 2HA GLY 3 1HA GLY 3 4.353 2.360 -6.725 17 H GLU 4 H GLU 4 2.490 1.500 -3.949 18 HA GLU 4 HA GLU 4 1.816 -1.097 -5.143 19 1HB GLU 4 2HB GLU 4 3.611 -1.576 -3.720 20 2HB GLU 4 1HB GLU 4 3.103 -0.399 -2.524 21 1HG GLU 4 2HG GLU 4 2.715 -2.467 -1.557 22 2HG GLU 4 1HG GLU 4 1.132 -1.912 -2.080 23 H THR 5 H THR 5 -0.085 -2.074 -4.328 24 HA THR 5 HA THR 5 -1.927 -0.189 -3.002 25 HB THR 5 HB THR 5 -3.794 -1.368 -4.015 26 HG1 THR 5 1HG THR 5 -1.840 -3.180 -4.637 27 1HG2 THR 5 1HG2 THR 5 -1.809 0.094 -5.548 28 2HG2 THR 5 2HG2 THR 5 -3.572 0.199 -5.590 29 3HG2 THR 5 3HG2 THR 5 -2.734 -1.009 -6.569 30 H CYS 6 H CYS 6 -3.199 -0.946 -1.339 31 HA CYS 6 HA CYS 6 -2.560 -3.669 -0.424 32 1HB CYS 6 2HB CYS 6 -3.063 -2.743 1.900 33 2HB CYS 6 1HB CYS 6 -1.537 -2.313 1.152 34 H VAL 7 H VAL 7 -4.580 -3.126 -2.153 35 HA VAL 7 HA VAL 7 -7.120 -2.650 -1.125 36 HB VAL 7 HB VAL 7 -6.471 -4.626 -3.324 37 1HG1 VAL 7 1HG1 VAL 7 -8.680 -3.803 -4.216 38 2HG1 VAL 7 2HG1 VAL 7 -8.931 -3.027 -2.652 39 3HG1 VAL 7 3HG1 VAL 7 -8.766 -4.780 -2.750 40 1HG2 VAL 7 1HG2 VAL 7 -5.395 -2.310 -3.510 41 2HG2 VAL 7 2HG2 VAL 7 -7.037 -1.708 -3.745 42 3HG2 VAL 7 3HG2 VAL 7 -6.356 -2.878 -4.875 43 H GLY 8 H GLY 8 -5.013 -5.340 -0.708 44 1HA GLY 8 2HA GLY 8 -7.213 -6.968 0.409 45 2HA GLY 8 1HA GLY 8 -5.654 -7.599 -0.110 46 H GLY 9 H GLY 9 -5.850 -4.640 1.666 47 1HA GLY 9 2HA GLY 9 -5.104 -4.019 3.736 48 2HA GLY 9 1HA GLY 9 -5.704 -5.570 4.300 49 H THR 10 H THR 10 -3.153 -5.089 1.896 50 HA THR 10 HA THR 10 -1.113 -5.778 3.859 51 HB THR 10 HB THR 10 -0.416 -7.533 1.896 52 HG1 THR 10 1HG THR 10 -3.240 -7.801 2.239 53 1HG2 THR 10 1HG2 THR 10 -1.208 -7.628 4.601 54 2HG2 THR 10 2HG2 THR 10 -0.302 -8.837 3.690 55 3HG2 THR 10 3HG2 THR 10 -2.062 -8.930 3.772 56 H CYS 11 H CYS 11 0.901 -5.119 3.322 57 HA CYS 11 HA CYS 11 1.301 -3.969 0.645 58 1HB CYS 11 2HB CYS 11 2.238 -2.867 3.287 59 2HB CYS 11 1HB CYS 11 2.806 -2.290 1.733 60 H ASN 12 H ASN 12 2.911 -4.846 -0.382 61 HA ASN 12 HA ASN 12 4.658 -6.745 0.834 62 1HB ASN 12 2HB ASN 12 4.525 -5.569 -1.945 63 2HB ASN 12 1HB ASN 12 5.727 -6.765 -1.470 64 1HD2 ASN 12 1HD2 ASN 12 2.592 -6.235 -2.596 65 2HD2 ASN 12 2HD2 ASN 12 2.024 -7.871 -2.485 66 H THR 13 H THR 13 4.893 -3.402 -0.201 67 HA THR 13 HA THR 13 7.714 -3.173 0.069 68 HB THR 13 HB THR 13 5.991 -0.791 0.468 69 HG1 THR 13 1HG THR 13 6.146 -2.245 -1.994 70 1HG2 THR 13 1HG2 THR 13 7.645 0.300 -0.774 71 2HG2 THR 13 2HG2 THR 13 8.160 -1.185 -1.576 72 3HG2 THR 13 3HG2 THR 13 8.561 -0.913 0.120 73 HA PRO 14 HA PRO 14 7.495 -3.100 4.563 74 1HB PRO 14 2HB PRO 14 10.393 -2.882 4.509 75 2HB PRO 14 1HB PRO 14 9.381 -4.207 5.079 76 1HG PRO 14 2HG PRO 14 10.919 -4.381 2.846 77 2HG PRO 14 1HG PRO 14 9.401 -5.275 3.047 78 1HD PRO 14 2HD PRO 14 9.923 -2.744 1.530 79 2HD PRO 14 1HD PRO 14 8.919 -4.140 1.081 80 H GLY 15 H GLY 15 6.964 -1.301 5.564 81 1HA GLY 15 2HA GLY 15 7.787 0.642 6.772 82 2HA GLY 15 1HA GLY 15 8.776 1.017 5.367 83 H CYS 16 H CYS 16 6.119 0.021 3.966 84 HA CYS 16 HA CYS 16 5.131 2.727 3.601 85 1HB CYS 16 2HB CYS 16 4.453 0.131 2.212 86 2HB CYS 16 1HB CYS 16 3.816 1.708 1.747 87 H THR 17 H THR 17 3.287 3.518 4.384 88 HA THR 17 HA THR 17 1.681 1.806 6.093 89 HB THR 17 HB THR 17 2.133 3.844 7.148 90 HG1 THR 17 1HG THR 17 -0.175 4.932 6.676 91 1HG2 THR 17 1HG2 THR 17 2.898 5.418 5.692 92 2HG2 THR 17 2HG2 THR 17 1.249 6.016 5.876 93 3HG2 THR 17 3HG2 THR 17 1.681 5.036 4.474 94 H CYS 18 H CYS 18 -0.476 1.437 5.811 95 HA CYS 18 HA CYS 18 -1.358 1.711 3.035 96 1HB CYS 18 2HB CYS 18 -1.245 -0.565 3.785 97 2HB CYS 18 1HB CYS 18 -2.190 -0.188 5.225 98 H SER 19 H SER 19 -3.077 2.789 2.426 99 HA SER 19 HA SER 19 -4.766 4.088 4.451 100 1HB SER 19 2HB SER 19 -4.783 4.558 1.455 101 2HB SER 19 1HB SER 19 -5.441 5.606 2.712 102 HG SER 19 HG SER 19 -2.998 5.424 3.394 103 H TRP 20 H TRP 20 -4.888 2.329 1.427 104 HA TRP 20 HA TRP 20 -6.514 0.301 2.141 105 1HB TRP 20 2HB TRP 20 -8.541 1.431 2.394 106 2HB TRP 20 1HB TRP 20 -8.196 2.549 1.068 107 HD1 TRP 20 HD TRP 20 -8.392 -1.347 1.216 108 HE1 TRP 20 1HE TRP 20 -9.687 -2.147 -0.852 109 HE3 TRP 20 3HE TRP 20 -9.604 3.193 -0.787 110 HZ2 TRP 20 2HZ TRP 20 -11.075 -1.002 -3.022 111 HZ3 TRP 20 3HZ TRP 20 -10.897 3.248 -2.868 112 HH2 TRP 20 HH TRP 20 -11.628 1.191 -3.957 113 HA PRO 21 HA PRO 21 -5.961 -0.143 -2.375 114 1HB PRO 21 2HB PRO 21 -6.493 1.683 -4.192 115 2HB PRO 21 1HB PRO 21 -7.804 1.045 -3.188 116 1HG PRO 21 2HG PRO 21 -6.409 3.667 -3.023 117 2HG PRO 21 1HG PRO 21 -8.099 3.275 -2.683 118 1HD PRO 21 2HD PRO 21 -5.982 3.509 -0.797 119 2HD PRO 21 1HD PRO 21 -7.633 2.942 -0.486 120 H VAL 22 H VAL 22 -4.169 2.004 -0.796 121 HA VAL 22 HA VAL 22 -1.961 1.746 -2.645 122 HB VAL 22 HB VAL 22 -1.415 4.233 -2.339 123 1HG1 VAL 22 1HG1 VAL 22 -3.717 3.308 -4.037 124 2HG1 VAL 22 2HG1 VAL 22 -2.023 3.473 -4.502 125 3HG1 VAL 22 3HG1 VAL 22 -2.994 4.911 -4.185 126 1HG2 VAL 22 1HG2 VAL 22 -3.733 5.498 -2.212 127 2HG2 VAL 22 2HG2 VAL 22 -2.818 5.093 -0.759 128 3HG2 VAL 22 3HG2 VAL 22 -4.173 4.080 -1.258 129 H CYS 23 H CYS 23 -0.094 1.542 -1.665 130 HA CYS 23 HA CYS 23 -0.030 1.647 1.251 131 1HB CYS 23 2HB CYS 23 1.948 0.623 -0.790 132 2HB CYS 23 1HB CYS 23 2.203 0.549 0.944 133 H THR 24 H THR 24 -0.217 4.132 -0.070 134 HA THR 24 HA THR 24 0.670 6.220 -0.086 135 HB THR 24 HB THR 24 2.638 5.127 1.932 136 HG1 THR 24 1HG THR 24 0.577 4.694 2.684 137 1HG2 THR 24 1HG2 THR 24 1.584 7.921 1.466 138 2HG2 THR 24 2HG2 THR 24 3.208 7.352 1.080 139 3HG2 THR 24 3HG2 THR 24 2.678 7.437 2.761 Start of MODEL 12 1 H VAL 1 H VAL 1 7.873 6.868 -2.986 2 HA VAL 1 HA VAL 1 5.687 6.054 -1.417 3 HB VAL 1 HB VAL 1 3.925 5.981 -3.153 4 1HG1 VAL 1 1HG1 VAL 1 3.342 8.389 -3.067 5 2HG1 VAL 1 2HG1 VAL 1 4.956 8.722 -2.438 6 3HG1 VAL 1 3HG1 VAL 1 3.834 7.732 -1.505 7 1HG2 VAL 1 1HG2 VAL 1 5.914 7.606 -4.724 8 2HG2 VAL 1 2HG2 VAL 1 4.189 7.587 -5.092 9 3HG2 VAL 1 3HG2 VAL 1 5.128 6.097 -5.189 10 H CYS 2 H CYS 2 5.142 3.895 -1.779 11 HA CYS 2 HA CYS 2 7.133 2.399 -3.206 12 1HB CYS 2 2HB CYS 2 4.716 1.464 -1.616 13 2HB CYS 2 1HB CYS 2 5.999 0.416 -2.240 14 H GLY 3 H GLY 3 3.977 3.563 -3.823 15 1HA GLY 3 2HA GLY 3 2.647 3.461 -5.692 16 2HA GLY 3 1HA GLY 3 4.038 2.794 -6.530 17 H GLU 4 H GLU 4 2.729 1.319 -3.716 18 HA GLU 4 HA GLU 4 1.765 -0.941 -5.321 19 1HB GLU 4 2HB GLU 4 3.562 -1.695 -4.013 20 2HB GLU 4 1HB GLU 4 3.080 -0.737 -2.629 21 1HG GLU 4 2HG GLU 4 1.213 -2.221 -2.224 22 2HG GLU 4 1HG GLU 4 1.630 -3.161 -3.657 23 H THR 5 H THR 5 -0.223 -1.877 -4.741 24 HA THR 5 HA THR 5 -1.959 -0.096 -3.191 25 HB THR 5 HB THR 5 -3.859 -1.246 -4.170 26 HG1 THR 5 1HG THR 5 -2.171 -3.175 -4.630 27 1HG2 THR 5 1HG2 THR 5 -1.895 0.226 -5.737 28 2HG2 THR 5 2HG2 THR 5 -3.654 0.375 -5.701 29 3HG2 THR 5 3HG2 THR 5 -2.889 -0.828 -6.744 30 H CYS 6 H CYS 6 -3.144 -0.835 -1.486 31 HA CYS 6 HA CYS 6 -2.585 -3.598 -0.635 32 1HB CYS 6 2HB CYS 6 -2.936 -2.695 1.719 33 2HB CYS 6 1HB CYS 6 -1.436 -2.289 0.909 34 H VAL 7 H VAL 7 -4.645 -2.998 -2.264 35 HA VAL 7 HA VAL 7 -7.114 -2.347 -1.220 36 HB VAL 7 HB VAL 7 -6.635 -4.506 -3.283 37 1HG1 VAL 7 1HG1 VAL 7 -8.910 -2.658 -3.529 38 2HG1 VAL 7 2HG1 VAL 7 -8.992 -3.782 -2.173 39 3HG1 VAL 7 3HG1 VAL 7 -8.819 -4.396 -3.818 40 1HG2 VAL 7 1HG2 VAL 7 -5.372 -2.535 -3.897 41 2HG2 VAL 7 2HG2 VAL 7 -6.789 -1.515 -3.642 42 3HG2 VAL 7 3HG2 VAL 7 -6.778 -2.697 -4.951 43 H GLY 8 H GLY 8 -5.197 -5.153 -0.625 44 1HA GLY 8 2HA GLY 8 -7.498 -6.478 0.682 45 2HA GLY 8 1HA GLY 8 -6.061 -7.317 0.110 46 H GLY 9 H GLY 9 -5.747 -4.265 1.680 47 1HA GLY 9 2HA GLY 9 -4.840 -3.620 3.677 48 2HA GLY 9 1HA GLY 9 -5.524 -5.087 4.361 49 H THR 10 H THR 10 -3.140 -4.944 1.750 50 HA THR 10 HA THR 10 -1.080 -5.875 3.621 51 HB THR 10 HB THR 10 -0.420 -7.621 1.895 52 HG1 THR 10 1HG THR 10 -1.774 -6.853 0.206 53 1HG2 THR 10 1HG2 THR 10 -2.422 -9.152 2.622 54 2HG2 THR 10 2HG2 THR 10 -2.818 -7.785 3.664 55 3HG2 THR 10 3HG2 THR 10 -1.252 -8.582 3.813 56 H CYS 11 H CYS 11 0.887 -5.142 3.203 57 HA CYS 11 HA CYS 11 1.485 -4.035 0.549 58 1HB CYS 11 2HB CYS 11 2.295 -2.866 3.219 59 2HB CYS 11 1HB CYS 11 2.894 -2.305 1.665 60 H ASN 12 H ASN 12 3.268 -4.836 -0.310 61 HA ASN 12 HA ASN 12 4.794 -6.797 1.166 62 1HB ASN 12 2HB ASN 12 4.939 -5.810 -1.688 63 2HB ASN 12 1HB ASN 12 6.030 -7.028 -1.032 64 1HD2 ASN 12 1HD2 ASN 12 2.914 -6.359 -2.264 65 2HD2 ASN 12 2HD2 ASN 12 2.298 -7.980 -2.188 66 H THR 13 H THR 13 5.156 -3.555 -0.064 67 HA THR 13 HA THR 13 7.960 -3.391 0.540 68 HB THR 13 HB THR 13 6.319 -0.925 0.251 69 HG1 THR 13 1HG THR 13 5.407 -2.310 -1.336 70 1HG2 THR 13 1HG2 THR 13 8.236 -0.104 -0.826 71 2HG2 THR 13 2HG2 THR 13 8.827 -1.722 -1.204 72 3HG2 THR 13 3HG2 THR 13 8.881 -1.129 0.456 73 HA PRO 14 HA PRO 14 7.191 -2.889 4.930 74 1HB PRO 14 2HB PRO 14 9.801 -2.315 5.567 75 2HB PRO 14 1HB PRO 14 9.155 -3.939 5.357 76 1HG PRO 14 2HG PRO 14 10.691 -2.255 3.429 77 2HG PRO 14 1HG PRO 14 10.841 -3.991 3.767 78 1HD PRO 14 2HD PRO 14 9.544 -3.082 1.599 79 2HD PRO 14 1HD PRO 14 8.998 -4.528 2.473 80 H GLY 15 H GLY 15 9.166 -0.577 3.139 81 1HA GLY 15 2HA GLY 15 8.894 1.493 5.097 82 2HA GLY 15 1HA GLY 15 9.556 1.666 3.487 83 H CYS 16 H CYS 16 6.338 0.468 4.164 84 HA CYS 16 HA CYS 16 5.139 3.034 3.535 85 1HB CYS 16 2HB CYS 16 5.081 0.701 1.659 86 2HB CYS 16 1HB CYS 16 3.676 1.759 1.753 87 H THR 17 H THR 17 3.208 3.314 4.455 88 HA THR 17 HA THR 17 2.126 1.100 6.014 89 HB THR 17 HB THR 17 2.405 3.316 7.114 90 HG1 THR 17 1HG THR 17 0.761 2.706 8.275 91 1HG2 THR 17 1HG2 THR 17 1.009 5.195 6.551 92 2HG2 THR 17 2HG2 THR 17 0.196 4.267 5.289 93 3HG2 THR 17 3HG2 THR 17 1.896 4.701 5.109 94 H CYS 18 H CYS 18 -0.659 1.961 5.917 95 HA CYS 18 HA CYS 18 -1.269 1.767 3.067 96 1HB CYS 18 2HB CYS 18 -1.154 -0.548 3.686 97 2HB CYS 18 1HB CYS 18 -2.144 -0.266 5.117 98 H SER 19 H SER 19 -2.954 2.883 2.469 99 HA SER 19 HA SER 19 -4.686 4.089 4.513 100 1HB SER 19 2HB SER 19 -3.679 5.586 2.790 101 2HB SER 19 1HB SER 19 -4.494 4.658 1.533 102 HG SER 19 HG SER 19 -6.142 5.576 3.542 103 H TRP 20 H TRP 20 -4.811 2.422 1.433 104 HA TRP 20 HA TRP 20 -6.470 0.400 2.095 105 1HB TRP 20 2HB TRP 20 -8.470 1.572 2.376 106 2HB TRP 20 1HB TRP 20 -8.101 2.709 1.072 107 HD1 TRP 20 HD TRP 20 -8.382 -1.184 1.130 108 HE1 TRP 20 1HE TRP 20 -9.721 -1.903 -0.939 109 HE3 TRP 20 3HE TRP 20 -9.517 3.430 -0.744 110 HZ2 TRP 20 2HZ TRP 20 -11.110 -0.673 -3.064 111 HZ3 TRP 20 3HZ TRP 20 -10.836 3.567 -2.802 112 HH2 TRP 20 HH TRP 20 -11.630 1.556 -3.936 113 HA PRO 21 HA PRO 21 -5.898 0.040 -2.413 114 1HB PRO 21 2HB PRO 21 -6.390 1.912 -4.202 115 2HB PRO 21 1HB PRO 21 -7.715 1.256 -3.232 116 1HG PRO 21 2HG PRO 21 -6.327 3.873 -3.001 117 2HG PRO 21 1HG PRO 21 -8.016 3.467 -2.667 118 1HD PRO 21 2HD PRO 21 -5.887 3.666 -0.784 119 2HD PRO 21 1HD PRO 21 -7.542 3.112 -0.477 120 H VAL 22 H VAL 22 -4.081 2.156 -0.793 121 HA VAL 22 HA VAL 22 -1.878 1.888 -2.654 122 HB VAL 22 HB VAL 22 -1.310 4.372 -2.296 123 1HG1 VAL 22 1HG1 VAL 22 -3.586 3.465 -4.038 124 2HG1 VAL 22 2HG1 VAL 22 -1.884 3.629 -4.477 125 3HG1 VAL 22 3HG1 VAL 22 -2.857 5.066 -4.162 126 1HG2 VAL 22 1HG2 VAL 22 -4.073 4.199 -1.246 127 2HG2 VAL 22 2HG2 VAL 22 -3.650 5.620 -2.205 128 3HG2 VAL 22 3HG2 VAL 22 -2.735 5.235 -0.745 129 H CYS 23 H CYS 23 -0.095 1.470 -1.677 130 HA CYS 23 HA CYS 23 0.091 1.586 1.214 131 1HB CYS 23 2HB CYS 23 2.018 0.597 -0.912 132 2HB CYS 23 1HB CYS 23 2.314 0.474 0.814 133 H THR 24 H THR 24 -0.095 3.978 1.114 134 HA THR 24 HA THR 24 0.820 6.037 1.456 135 HB THR 24 HB THR 24 3.546 4.753 1.246 136 HG1 THR 24 1HG THR 24 1.980 3.736 2.771 137 1HG2 THR 24 1HG2 THR 24 3.922 6.568 3.073 138 2HG2 THR 24 2HG2 THR 24 2.458 7.293 2.410 139 3HG2 THR 24 3HG2 THR 24 3.868 7.053 1.379 Start of MODEL 13 1 H VAL 1 H VAL 1 7.713 7.182 -3.115 2 HA VAL 1 HA VAL 1 5.131 6.699 -2.053 3 HB VAL 1 HB VAL 1 3.963 6.200 -4.186 4 1HG1 VAL 1 1HG1 VAL 1 3.348 8.484 -4.692 5 2HG1 VAL 1 2HG1 VAL 1 4.826 9.079 -3.935 6 3HG1 VAL 1 3HG1 VAL 1 3.583 8.302 -2.954 7 1HG2 VAL 1 1HG2 VAL 1 4.837 7.330 -6.251 8 2HG2 VAL 1 2HG2 VAL 1 5.770 5.931 -5.719 9 3HG2 VAL 1 3HG2 VAL 1 6.364 7.561 -5.398 10 H CYS 2 H CYS 2 4.621 4.519 -2.035 11 HA CYS 2 HA CYS 2 6.845 2.751 -2.468 12 1HB CYS 2 2HB CYS 2 4.036 2.033 -1.591 13 2HB CYS 2 1HB CYS 2 5.505 1.087 -1.350 14 H GLY 3 H GLY 3 3.908 3.595 -4.075 15 1HA GLY 3 2HA GLY 3 3.128 3.081 -6.171 16 2HA GLY 3 1HA GLY 3 4.677 2.318 -6.476 17 H GLU 4 H GLU 4 2.589 1.373 -3.864 18 HA GLU 4 HA GLU 4 1.785 -1.030 -5.343 19 1HB GLU 4 2HB GLU 4 3.731 -1.561 -3.888 20 2HB GLU 4 1HB GLU 4 2.820 -0.996 -2.501 21 1HG GLU 4 2HG GLU 4 2.888 -3.461 -2.775 22 2HG GLU 4 1HG GLU 4 1.268 -2.779 -2.677 23 H THR 5 H THR 5 -0.142 -2.024 -4.539 24 HA THR 5 HA THR 5 -1.861 -0.129 -3.080 25 HB THR 5 HB THR 5 -3.778 -1.286 -4.030 26 HG1 THR 5 1HG THR 5 -1.775 -3.044 -4.934 27 1HG2 THR 5 1HG2 THR 5 -2.809 -0.974 -6.610 28 2HG2 THR 5 2HG2 THR 5 -1.785 0.091 -5.646 29 3HG2 THR 5 3HG2 THR 5 -3.541 0.280 -5.606 30 H CYS 6 H CYS 6 -3.182 -0.879 -1.410 31 HA CYS 6 HA CYS 6 -2.539 -3.584 -0.452 32 1HB CYS 6 2HB CYS 6 -2.974 -2.635 1.867 33 2HB CYS 6 1HB CYS 6 -1.465 -2.210 1.083 34 H VAL 7 H VAL 7 -4.575 -2.967 -2.160 35 HA VAL 7 HA VAL 7 -7.093 -2.459 -1.080 36 HB VAL 7 HB VAL 7 -6.515 -4.387 -3.341 37 1HG1 VAL 7 1HG1 VAL 7 -8.827 -4.413 -2.571 38 2HG1 VAL 7 2HG1 VAL 7 -8.708 -3.687 -4.175 39 3HG1 VAL 7 3HG1 VAL 7 -8.919 -2.660 -2.754 40 1HG2 VAL 7 1HG2 VAL 7 -6.297 -2.635 -4.833 41 2HG2 VAL 7 2HG2 VAL 7 -5.433 -2.027 -3.420 42 3HG2 VAL 7 3HG2 VAL 7 -7.075 -1.479 -3.751 43 H GLY 8 H GLY 8 -5.020 -5.183 -0.757 44 1HA GLY 8 2HA GLY 8 -7.230 -6.821 0.327 45 2HA GLY 8 1HA GLY 8 -5.679 -7.450 -0.215 46 H GLY 9 H GLY 9 -5.835 -4.540 1.641 47 1HA GLY 9 2HA GLY 9 -5.076 -3.989 3.726 48 2HA GLY 9 1HA GLY 9 -5.687 -5.553 4.246 49 H THR 10 H THR 10 -3.128 -4.948 1.866 50 HA THR 10 HA THR 10 -1.104 -5.783 3.792 51 HB THR 10 HB THR 10 -0.428 -7.360 1.648 52 HG1 THR 10 1HG THR 10 -3.224 -7.703 2.136 53 1HG2 THR 10 1HG2 THR 10 -1.829 -9.025 3.421 54 2HG2 THR 10 2HG2 THR 10 -1.203 -7.689 4.390 55 3HG2 THR 10 3HG2 THR 10 -0.102 -8.662 3.413 56 H CYS 11 H CYS 11 0.901 -5.085 3.338 57 HA CYS 11 HA CYS 11 1.342 -3.765 0.752 58 1HB CYS 11 2HB CYS 11 2.203 -2.832 3.483 59 2HB CYS 11 1HB CYS 11 2.888 -2.200 1.998 60 H ASN 12 H ASN 12 3.001 -4.475 -0.297 61 HA ASN 12 HA ASN 12 4.652 -6.558 0.761 62 1HB ASN 12 2HB ASN 12 4.514 -5.193 -1.924 63 2HB ASN 12 1HB ASN 12 5.743 -6.398 -1.550 64 1HD2 ASN 12 1HD2 ASN 12 2.741 -5.938 -2.847 65 2HD2 ASN 12 2HD2 ASN 12 2.143 -7.553 -2.734 66 H THR 13 H THR 13 5.076 -3.175 -0.120 67 HA THR 13 HA THR 13 7.890 -3.122 0.240 68 HB THR 13 HB THR 13 6.283 -0.667 0.696 69 HG1 THR 13 1HG THR 13 6.579 -1.450 -1.974 70 1HG2 THR 13 1HG2 THR 13 8.073 0.394 -0.264 71 2HG2 THR 13 2HG2 THR 13 8.406 -0.935 -1.374 72 3HG2 THR 13 3HG2 THR 13 8.896 -1.055 0.316 73 HA PRO 14 HA PRO 14 7.607 -3.266 4.720 74 1HB PRO 14 2HB PRO 14 10.510 -2.969 4.679 75 2HB PRO 14 1HB PRO 14 9.527 -4.320 5.243 76 1HG PRO 14 2HG PRO 14 11.043 -4.462 3.006 77 2HG PRO 14 1HG PRO 14 9.517 -5.348 3.186 78 1HD PRO 14 2HD PRO 14 10.065 -2.795 1.717 79 2HD PRO 14 1HD PRO 14 9.046 -4.172 1.243 80 H GLY 15 H GLY 15 7.003 -1.528 5.783 81 1HA GLY 15 2HA GLY 15 7.713 0.377 7.099 82 2HA GLY 15 1HA GLY 15 8.775 0.825 5.771 83 H CYS 16 H CYS 16 6.129 -0.180 4.263 84 HA CYS 16 HA CYS 16 5.189 2.540 3.881 85 1HB CYS 16 2HB CYS 16 4.584 -0.054 2.467 86 2HB CYS 16 1HB CYS 16 3.805 1.471 2.049 87 H THR 17 H THR 17 3.362 3.372 4.590 88 HA THR 17 HA THR 17 1.662 1.769 6.334 89 HB THR 17 HB THR 17 1.096 4.641 5.736 90 HG1 THR 17 1HG THR 17 3.500 3.707 6.636 91 1HG2 THR 17 1HG2 THR 17 1.051 4.295 8.438 92 2HG2 THR 17 2HG2 THR 17 0.607 2.686 7.870 93 3HG2 THR 17 3HG2 THR 17 -0.341 4.089 7.378 94 H CYS 18 H CYS 18 -0.495 1.359 5.906 95 HA CYS 18 HA CYS 18 -1.244 1.729 3.106 96 1HB CYS 18 2HB CYS 18 -1.235 -0.565 3.773 97 2HB CYS 18 1HB CYS 18 -2.202 -0.211 5.204 98 H SER 19 H SER 19 -2.873 2.928 2.479 99 HA SER 19 HA SER 19 -4.571 4.232 4.487 100 1HB SER 19 2HB SER 19 -4.526 4.682 1.486 101 2HB SER 19 1HB SER 19 -5.230 5.737 2.714 102 HG SER 19 HG SER 19 -2.844 5.611 3.506 103 H TRP 20 H TRP 20 -4.736 2.455 1.480 104 HA TRP 20 HA TRP 20 -6.411 0.477 2.201 105 1HB TRP 20 2HB TRP 20 -8.412 1.648 2.455 106 2HB TRP 20 1HB TRP 20 -8.037 2.767 1.138 107 HD1 TRP 20 HD TRP 20 -8.342 -1.123 1.258 108 HE1 TRP 20 1HE TRP 20 -9.659 -1.870 -0.815 109 HE3 TRP 20 3HE TRP 20 -9.413 3.462 -0.717 110 HZ2 TRP 20 2HZ TRP 20 -11.007 -0.670 -2.980 111 HZ3 TRP 20 3HZ TRP 20 -10.701 3.572 -2.796 112 HH2 TRP 20 HH TRP 20 -11.494 1.543 -3.900 113 HA PRO 21 HA PRO 21 -5.888 0.026 -2.309 114 1HB PRO 21 2HB PRO 21 -6.329 1.898 -4.116 115 2HB PRO 21 1HB PRO 21 -7.668 1.287 -3.133 116 1HG PRO 21 2HG PRO 21 -6.208 3.865 -2.935 117 2HG PRO 21 1HG PRO 21 -7.903 3.508 -2.587 118 1HD PRO 21 2HD PRO 21 -5.760 3.668 -0.721 119 2HD PRO 21 1HD PRO 21 -7.427 3.163 -0.397 120 H VAL 22 H VAL 22 -3.995 2.197 -0.765 121 HA VAL 22 HA VAL 22 -1.815 1.755 -2.623 122 HB VAL 22 HB VAL 22 -1.180 4.230 -2.472 123 1HG1 VAL 22 1HG1 VAL 22 -3.541 3.271 -4.064 124 2HG1 VAL 22 2HG1 VAL 22 -1.855 3.388 -4.577 125 3HG1 VAL 22 3HG1 VAL 22 -2.801 4.854 -4.313 126 1HG2 VAL 22 1HG2 VAL 22 -3.930 4.249 -1.346 127 2HG2 VAL 22 2HG2 VAL 22 -3.430 5.598 -2.368 128 3HG2 VAL 22 3HG2 VAL 22 -2.523 5.218 -0.905 129 H CYS 23 H CYS 23 0.046 1.500 -1.676 130 HA CYS 23 HA CYS 23 0.251 1.925 1.221 131 1HB CYS 23 2HB CYS 23 2.146 0.531 -0.699 132 2HB CYS 23 1HB CYS 23 2.313 0.572 1.045 133 H THR 24 H THR 24 1.472 3.576 2.047 134 HA THR 24 HA THR 24 3.674 4.724 0.634 135 HB THR 24 HB THR 24 1.842 5.745 -0.662 136 HG1 THR 24 1HG THR 24 2.482 8.028 -0.038 137 1HG2 THR 24 1HG2 THR 24 0.042 5.832 0.888 138 2HG2 THR 24 2HG2 THR 24 0.456 7.504 0.510 139 3HG2 THR 24 3HG2 THR 24 0.984 6.788 2.033 Start of MODEL 14 1 H VAL 1 H VAL 1 4.139 6.811 -4.194 2 HA VAL 1 HA VAL 1 6.419 6.821 -4.385 3 HB VAL 1 HB VAL 1 6.528 6.200 -1.429 4 1HG1 VAL 1 1HG1 VAL 1 8.541 5.883 -3.168 5 2HG1 VAL 1 2HG1 VAL 1 8.781 6.411 -1.502 6 3HG1 VAL 1 3HG1 VAL 1 8.739 7.598 -2.805 7 1HG2 VAL 1 1HG2 VAL 1 6.062 8.323 -0.981 8 2HG2 VAL 1 2HG2 VAL 1 5.692 8.569 -2.688 9 3HG2 VAL 1 3HG2 VAL 1 7.321 8.874 -2.087 10 H CYS 2 H CYS 2 4.931 4.347 -2.438 11 HA CYS 2 HA CYS 2 6.834 2.314 -3.168 12 1HB CYS 2 2HB CYS 2 4.104 1.815 -1.967 13 2HB CYS 2 1HB CYS 2 5.582 0.863 -1.773 14 H GLY 3 H GLY 3 3.966 3.672 -4.414 15 1HA GLY 3 2HA GLY 3 2.718 3.281 -6.295 16 2HA GLY 3 1HA GLY 3 4.141 2.464 -6.914 17 H GLU 4 H GLU 4 2.497 1.371 -4.054 18 HA GLU 4 HA GLU 4 1.414 -0.899 -5.580 19 1HB GLU 4 2HB GLU 4 3.433 -1.501 -4.260 20 2HB GLU 4 1HB GLU 4 2.605 -0.985 -2.805 21 1HG GLU 4 2HG GLU 4 2.641 -3.435 -3.156 22 2HG GLU 4 1HG GLU 4 1.031 -2.754 -2.967 23 H THR 5 H THR 5 -0.461 -1.867 -4.739 24 HA THR 5 HA THR 5 -2.099 -0.043 -3.107 25 HB THR 5 HB THR 5 -4.057 -1.135 -4.018 26 HG1 THR 5 1HG THR 5 -2.122 -2.883 -5.137 27 1HG2 THR 5 1HG2 THR 5 -3.900 0.373 -5.653 28 2HG2 THR 5 2HG2 THR 5 -3.093 -0.848 -6.640 29 3HG2 THR 5 3HG2 THR 5 -2.139 0.267 -5.660 30 H CYS 6 H CYS 6 -3.301 -0.874 -1.382 31 HA CYS 6 HA CYS 6 -2.551 -3.607 -0.582 32 1HB CYS 6 2HB CYS 6 -2.976 -2.767 1.795 33 2HB CYS 6 1HB CYS 6 -1.486 -2.299 0.999 34 H VAL 7 H VAL 7 -4.643 -3.110 -2.194 35 HA VAL 7 HA VAL 7 -7.157 -2.715 -1.061 36 HB VAL 7 HB VAL 7 -6.530 -4.622 -3.327 37 1HG1 VAL 7 1HG1 VAL 7 -8.750 -4.368 -4.022 38 2HG1 VAL 7 2HG1 VAL 7 -9.006 -2.960 -2.992 39 3HG1 VAL 7 3HG1 VAL 7 -8.861 -4.563 -2.272 40 1HG2 VAL 7 1HG2 VAL 7 -6.426 -2.873 -4.821 41 2HG2 VAL 7 2HG2 VAL 7 -5.614 -2.178 -3.418 42 3HG2 VAL 7 3HG2 VAL 7 -7.295 -1.769 -3.756 43 H GLY 8 H GLY 8 -4.964 -5.361 -0.812 44 1HA GLY 8 2HA GLY 8 -7.060 -7.094 0.334 45 2HA GLY 8 1HA GLY 8 -5.474 -7.635 -0.203 46 H GLY 9 H GLY 9 -5.762 -4.708 1.590 47 1HA GLY 9 2HA GLY 9 -5.018 -4.069 3.654 48 2HA GLY 9 1HA GLY 9 -5.583 -5.632 4.224 49 H THR 10 H THR 10 -3.085 -5.189 1.776 50 HA THR 10 HA THR 10 -0.988 -5.752 3.720 51 HB THR 10 HB THR 10 -0.247 -7.623 1.958 52 HG1 THR 10 1HG THR 10 -3.084 -7.899 2.023 53 1HG2 THR 10 1HG2 THR 10 -0.329 -8.144 4.259 54 2HG2 THR 10 2HG2 THR 10 -1.407 -9.304 3.480 55 3HG2 THR 10 3HG2 THR 10 -2.076 -7.912 4.331 56 H CYS 11 H CYS 11 0.995 -5.066 3.106 57 HA CYS 11 HA CYS 11 1.283 -3.987 0.381 58 1HB CYS 11 2HB CYS 11 2.297 -2.847 2.987 59 2HB CYS 11 1HB CYS 11 2.827 -2.286 1.409 60 H ASN 12 H ASN 12 3.148 -4.463 -0.680 61 HA ASN 12 HA ASN 12 4.766 -6.590 0.352 62 1HB ASN 12 2HB ASN 12 4.858 -4.984 -2.197 63 2HB ASN 12 1HB ASN 12 6.126 -6.133 -1.791 64 1HD2 ASN 12 1HD2 ASN 12 3.162 -7.129 -0.563 65 2HD2 ASN 12 2HD2 ASN 12 2.728 -8.230 -1.821 66 H THR 13 H THR 13 5.269 -3.169 -0.399 67 HA THR 13 HA THR 13 7.947 -3.142 0.607 68 HB THR 13 HB THR 13 6.354 -0.641 0.332 69 HG1 THR 13 1HG THR 13 7.391 -1.410 -2.053 70 1HG2 THR 13 1HG2 THR 13 8.768 -0.555 -1.096 71 2HG2 THR 13 2HG2 THR 13 9.123 -1.451 0.380 72 3HG2 THR 13 3HG2 THR 13 8.433 0.170 0.477 73 HA PRO 14 HA PRO 14 6.537 -3.070 4.869 74 1HB PRO 14 2HB PRO 14 9.373 -2.484 5.442 75 2HB PRO 14 1HB PRO 14 8.365 -3.820 6.002 76 1HG PRO 14 2HG PRO 14 10.281 -4.203 4.177 77 2HG PRO 14 1HG PRO 14 8.740 -5.079 4.096 78 1HD PRO 14 2HD PRO 14 9.653 -2.696 2.524 79 2HD PRO 14 1HD PRO 14 8.760 -4.131 1.976 80 H GLY 15 H GLY 15 8.883 -0.618 3.805 81 1HA GLY 15 2HA GLY 15 8.081 1.211 5.877 82 2HA GLY 15 1HA GLY 15 9.180 1.549 4.556 83 H CYS 16 H CYS 16 5.823 0.480 4.544 84 HA CYS 16 HA CYS 16 5.087 3.010 3.232 85 1HB CYS 16 2HB CYS 16 4.329 0.244 2.278 86 2HB CYS 16 1HB CYS 16 3.745 1.755 1.578 87 H THR 17 H THR 17 3.261 3.891 3.922 88 HA THR 17 HA THR 17 1.723 2.513 5.963 89 HB THR 17 HB THR 17 0.496 4.862 5.838 90 HG1 THR 17 1HG THR 17 1.502 5.803 4.117 91 1HG2 THR 17 1HG2 THR 17 1.608 4.248 7.824 92 2HG2 THR 17 2HG2 THR 17 2.343 5.779 7.346 93 3HG2 THR 17 3HG2 THR 17 3.188 4.260 7.040 94 H CYS 18 H CYS 18 -0.191 1.559 5.569 95 HA CYS 18 HA CYS 18 -1.277 1.787 2.882 96 1HB CYS 18 2HB CYS 18 -0.985 -0.462 3.627 97 2HB CYS 18 1HB CYS 18 -1.837 -0.136 5.135 98 H SER 19 H SER 19 -3.021 2.858 2.369 99 HA SER 19 HA SER 19 -4.679 4.047 4.484 100 1HB SER 19 2HB SER 19 -4.878 4.523 1.497 101 2HB SER 19 1HB SER 19 -5.504 5.542 2.794 102 HG SER 19 HG SER 19 -3.130 5.626 3.406 103 H TRP 20 H TRP 20 -4.910 2.299 1.467 104 HA TRP 20 HA TRP 20 -6.436 0.217 2.252 105 1HB TRP 20 2HB TRP 20 -8.477 1.290 2.613 106 2HB TRP 20 1HB TRP 20 -8.219 2.439 1.293 107 HD1 TRP 20 HD TRP 20 -8.338 -1.462 1.374 108 HE1 TRP 20 1HE TRP 20 -9.732 -2.242 -0.636 109 HE3 TRP 20 3HE TRP 20 -9.721 3.095 -0.471 110 HZ2 TRP 20 2HZ TRP 20 -11.243 -1.078 -2.712 111 HZ3 TRP 20 3HZ TRP 20 -11.120 3.172 -2.479 112 HH2 TRP 20 HH TRP 20 -11.876 1.125 -3.571 113 HA PRO 21 HA PRO 21 -6.037 -0.137 -2.292 114 1HB PRO 21 2HB PRO 21 -6.704 1.705 -4.051 115 2HB PRO 21 1HB PRO 21 -7.953 0.998 -3.015 116 1HG PRO 21 2HG PRO 21 -6.663 3.671 -2.853 117 2HG PRO 21 1HG PRO 21 -8.315 3.198 -2.440 118 1HD PRO 21 2HD PRO 21 -6.103 3.481 -0.661 119 2HD PRO 21 1HD PRO 21 -7.722 2.872 -0.274 120 H VAL 22 H VAL 22 -4.230 1.957 -0.707 121 HA VAL 22 HA VAL 22 -2.109 1.872 -2.668 122 HB VAL 22 HB VAL 22 -1.618 4.362 -2.226 123 1HG1 VAL 22 1HG1 VAL 22 -3.945 3.480 -3.918 124 2HG1 VAL 22 2HG1 VAL 22 -2.260 3.660 -4.415 125 3HG1 VAL 22 3HG1 VAL 22 -3.220 5.086 -4.014 126 1HG2 VAL 22 1HG2 VAL 22 -4.365 4.062 -1.130 127 2HG2 VAL 22 2HG2 VAL 22 -3.951 5.554 -1.978 128 3HG2 VAL 22 3HG2 VAL 22 -3.025 5.059 -0.561 129 H CYS 23 H CYS 23 -0.195 1.636 -1.787 130 HA CYS 23 HA CYS 23 0.025 1.658 1.130 131 1HB CYS 23 2HB CYS 23 1.932 0.686 -1.025 132 2HB CYS 23 1HB CYS 23 2.217 0.542 0.703 133 H THR 24 H THR 24 -0.191 4.172 -0.243 134 HA THR 24 HA THR 24 0.731 6.247 -0.302 135 HB THR 24 HB THR 24 2.674 5.105 1.717 136 HG1 THR 24 1HG THR 24 0.498 4.966 2.408 137 1HG2 THR 24 1HG2 THR 24 2.004 7.936 0.923 138 2HG2 THR 24 2HG2 THR 24 3.580 7.147 0.894 139 3HG2 THR 24 3HG2 THR 24 2.811 7.524 2.436 Start of MODEL 15 1 H VAL 1 H VAL 1 8.610 6.477 -2.684 2 HA VAL 1 HA VAL 1 6.225 5.979 -1.254 3 HB VAL 1 HB VAL 1 5.399 7.884 -2.575 4 1HG1 VAL 1 1HG1 VAL 1 6.437 8.085 -4.573 5 2HG1 VAL 1 2HG1 VAL 1 5.036 7.165 -5.122 6 3HG1 VAL 1 3HG1 VAL 1 6.566 6.343 -4.810 7 1HG2 VAL 1 1HG2 VAL 1 3.369 6.913 -3.271 8 2HG2 VAL 1 2HG2 VAL 1 3.962 5.889 -1.964 9 3HG2 VAL 1 3HG2 VAL 1 4.140 5.370 -3.640 10 H CYS 2 H CYS 2 5.521 3.905 -1.605 11 HA CYS 2 HA CYS 2 7.267 2.216 -3.132 12 1HB CYS 2 2HB CYS 2 4.783 1.501 -1.527 13 2HB CYS 2 1HB CYS 2 5.990 0.362 -2.146 14 H GLY 3 H GLY 3 4.145 3.649 -3.547 15 1HA GLY 3 2HA GLY 3 2.718 3.709 -5.349 16 2HA GLY 3 1HA GLY 3 4.049 3.068 -6.301 17 H GLU 4 H GLU 4 2.908 1.414 -3.542 18 HA GLU 4 HA GLU 4 1.897 -0.782 -5.189 19 1HB GLU 4 2HB GLU 4 3.619 -1.556 -3.813 20 2HB GLU 4 1HB GLU 4 3.139 -0.537 -2.471 21 1HG GLU 4 2HG GLU 4 2.627 -2.675 -1.790 22 2HG GLU 4 1HG GLU 4 1.081 -2.017 -2.304 23 H THR 5 H THR 5 -0.057 -1.862 -4.495 24 HA THR 5 HA THR 5 -1.892 -0.038 -3.085 25 HB THR 5 HB THR 5 -3.749 -1.255 -4.094 26 HG1 THR 5 1HG THR 5 -1.735 -2.979 -4.819 27 1HG2 THR 5 1HG2 THR 5 -3.543 0.415 -5.572 28 2HG2 THR 5 2HG2 THR 5 -2.798 -0.778 -6.642 29 3HG2 THR 5 3HG2 THR 5 -1.784 0.261 -5.639 30 H CYS 6 H CYS 6 -3.151 -0.815 -1.411 31 HA CYS 6 HA CYS 6 -2.504 -3.547 -0.539 32 1HB CYS 6 2HB CYS 6 -2.914 -2.673 1.813 33 2HB CYS 6 1HB CYS 6 -1.416 -2.223 1.026 34 H VAL 7 H VAL 7 -4.562 -2.901 -2.205 35 HA VAL 7 HA VAL 7 -7.070 -2.438 -1.094 36 HB VAL 7 HB VAL 7 -6.514 -4.350 -3.372 37 1HG1 VAL 7 1HG1 VAL 7 -8.710 -3.767 -4.155 38 2HG1 VAL 7 2HG1 VAL 7 -8.900 -2.577 -2.868 39 3HG1 VAL 7 3HG1 VAL 7 -8.830 -4.295 -2.476 40 1HG2 VAL 7 1HG2 VAL 7 -7.180 -1.550 -3.984 41 2HG2 VAL 7 2HG2 VAL 7 -6.059 -2.654 -4.782 42 3HG2 VAL 7 3HG2 VAL 7 -5.573 -1.818 -3.308 43 H GLY 8 H GLY 8 -4.980 -5.162 -0.843 44 1HA GLY 8 2HA GLY 8 -7.156 -6.835 0.249 45 2HA GLY 8 1HA GLY 8 -5.590 -7.430 -0.288 46 H GLY 9 H GLY 9 -5.786 -4.528 1.564 47 1HA GLY 9 2HA GLY 9 -5.041 -3.960 3.649 48 2HA GLY 9 1HA GLY 9 -5.643 -5.525 4.176 49 H THR 10 H THR 10 -3.094 -4.996 1.776 50 HA THR 10 HA THR 10 -1.058 -5.733 3.729 51 HB THR 10 HB THR 10 -0.370 -7.448 1.727 52 HG1 THR 10 1HG THR 10 -3.193 -7.713 2.082 53 1HG2 THR 10 1HG2 THR 10 -0.184 -8.679 3.565 54 2HG2 THR 10 2HG2 THR 10 -1.923 -8.971 3.512 55 3HG2 THR 10 3HG2 THR 10 -1.284 -7.611 4.437 56 H CYS 11 H CYS 11 0.948 -5.064 3.226 57 HA CYS 11 HA CYS 11 1.399 -3.914 0.561 58 1HB CYS 11 2HB CYS 11 2.326 -2.823 3.211 59 2HB CYS 11 1HB CYS 11 2.906 -2.247 1.661 60 H ASN 12 H ASN 12 2.948 -4.899 -0.435 61 HA ASN 12 HA ASN 12 4.603 -6.861 0.739 62 1HB ASN 12 2HB ASN 12 4.602 -5.538 -1.974 63 2HB ASN 12 1HB ASN 12 5.770 -6.779 -1.532 64 1HD2 ASN 12 1HD2 ASN 12 2.708 -6.162 -2.777 65 2HD2 ASN 12 2HD2 ASN 12 2.102 -7.786 -2.729 66 H THR 13 H THR 13 5.114 -3.497 -0.199 67 HA THR 13 HA THR 13 7.911 -3.582 0.512 68 HB THR 13 HB THR 13 6.433 -1.012 0.144 69 HG1 THR 13 1HG THR 13 6.687 -3.068 -1.718 70 1HG2 THR 13 1HG2 THR 13 8.676 -0.828 -1.309 71 2HG2 THR 13 2HG2 THR 13 9.186 -2.075 -0.171 72 3HG2 THR 13 3HG2 THR 13 8.641 -0.507 0.424 73 HA PRO 14 HA PRO 14 6.955 -3.032 4.853 74 1HB PRO 14 2HB PRO 14 9.537 -2.647 5.665 75 2HB PRO 14 1HB PRO 14 8.826 -4.223 5.340 76 1HG PRO 14 2HG PRO 14 10.563 -2.542 3.587 77 2HG PRO 14 1HG PRO 14 10.622 -4.292 3.873 78 1HD PRO 14 2HD PRO 14 9.504 -3.254 1.660 79 2HD PRO 14 1HD PRO 14 8.858 -4.713 2.438 80 H GLY 15 H GLY 15 9.127 -0.822 3.172 81 1HA GLY 15 2HA GLY 15 8.957 1.233 5.148 82 2HA GLY 15 1HA GLY 15 9.631 1.392 3.542 83 H CYS 16 H CYS 16 6.345 0.401 4.227 84 HA CYS 16 HA CYS 16 5.299 3.040 3.637 85 1HB CYS 16 2HB CYS 16 5.049 0.731 1.742 86 2HB CYS 16 1HB CYS 16 3.745 1.908 1.857 87 H THR 17 H THR 17 3.267 3.377 4.392 88 HA THR 17 HA THR 17 2.190 1.291 6.117 89 HB THR 17 HB THR 17 2.446 3.598 7.012 90 HG1 THR 17 1HG THR 17 0.863 2.874 8.202 91 1HG2 THR 17 1HG2 THR 17 1.901 4.750 4.843 92 2HG2 THR 17 2HG2 THR 17 1.107 5.423 6.267 93 3HG2 THR 17 3HG2 THR 17 0.204 4.389 5.159 94 H CYS 18 H CYS 18 -0.595 2.270 5.886 95 HA CYS 18 HA CYS 18 -1.246 1.856 3.095 96 1HB CYS 18 2HB CYS 18 -1.034 -0.442 3.725 97 2HB CYS 18 1HB CYS 18 -1.959 -0.179 5.204 98 H SER 19 H SER 19 -2.965 2.933 2.539 99 HA SER 19 HA SER 19 -4.696 4.076 4.615 100 1HB SER 19 2HB SER 19 -5.618 5.356 2.570 101 2HB SER 19 1HB SER 19 -3.972 5.742 3.071 102 HG SER 19 HG SER 19 -3.180 4.743 1.335 103 H TRP 20 H TRP 20 -4.823 2.431 1.536 104 HA TRP 20 HA TRP 20 -6.398 0.341 2.202 105 1HB TRP 20 2HB TRP 20 -8.442 1.416 2.512 106 2HB TRP 20 1HB TRP 20 -8.112 2.616 1.257 107 HD1 TRP 20 HD TRP 20 -8.331 -1.281 1.196 108 HE1 TRP 20 1HE TRP 20 -9.626 -1.960 -0.916 109 HE3 TRP 20 3HE TRP 20 -9.464 3.368 -0.589 110 HZ2 TRP 20 2HZ TRP 20 -10.978 -0.688 -3.037 111 HZ3 TRP 20 3HZ TRP 20 -10.743 3.546 -2.670 112 HH2 TRP 20 HH TRP 20 -11.498 1.555 -3.865 113 HA PRO 21 HA PRO 21 -5.906 0.098 -2.316 114 1HB PRO 21 2HB PRO 21 -6.355 2.038 -4.042 115 2HB PRO 21 1HB PRO 21 -7.691 1.370 -3.093 116 1HG PRO 21 2HG PRO 21 -6.263 3.954 -2.774 117 2HG PRO 21 1HG PRO 21 -7.956 3.563 -2.451 118 1HD PRO 21 2HD PRO 21 -5.824 3.668 -0.567 119 2HD PRO 21 1HD PRO 21 -7.485 3.120 -0.276 120 H VAL 22 H VAL 22 -4.055 2.323 -0.722 121 HA VAL 22 HA VAL 22 -1.852 1.878 -2.552 122 HB VAL 22 HB VAL 22 -1.235 4.358 -2.421 123 1HG1 VAL 22 1HG1 VAL 22 -1.862 3.505 -4.525 124 2HG1 VAL 22 2HG1 VAL 22 -2.873 4.931 -4.284 125 3HG1 VAL 22 3HG1 VAL 22 -3.545 3.317 -4.030 126 1HG2 VAL 22 1HG2 VAL 22 -3.987 4.355 -1.317 127 2HG2 VAL 22 2HG2 VAL 22 -3.521 5.686 -2.380 128 3HG2 VAL 22 3HG2 VAL 22 -2.605 5.373 -0.905 129 H CYS 23 H CYS 23 -0.063 1.530 -1.570 130 HA CYS 23 HA CYS 23 0.153 1.798 1.306 131 1HB CYS 23 2HB CYS 23 2.108 0.777 -0.776 132 2HB CYS 23 1HB CYS 23 2.340 0.646 0.958 133 H THR 24 H THR 24 0.072 4.130 1.386 134 HA THR 24 HA THR 24 2.012 5.740 0.071 135 HB THR 24 HB THR 24 1.205 7.461 1.840 136 HG1 THR 24 1HG THR 24 -0.492 6.866 3.056 137 1HG2 THR 24 1HG2 THR 24 -0.393 8.129 0.356 138 2HG2 THR 24 2HG2 THR 24 -1.094 6.516 0.218 139 3HG2 THR 24 3HG2 THR 24 0.393 6.908 -0.645 Start of MODEL 16 1 H VAL 1 H VAL 1 4.801 6.932 -1.406 2 HA VAL 1 HA VAL 1 4.155 6.574 -4.246 3 HB VAL 1 HB VAL 1 6.472 7.433 -4.651 4 1HG1 VAL 1 1HG1 VAL 1 5.184 9.525 -3.001 5 2HG1 VAL 1 2HG1 VAL 1 4.210 8.809 -4.286 6 3HG1 VAL 1 3HG1 VAL 1 5.748 9.583 -4.671 7 1HG2 VAL 1 1HG2 VAL 1 7.434 6.815 -2.472 8 2HG2 VAL 1 2HG2 VAL 1 6.427 8.034 -1.692 9 3HG2 VAL 1 3HG2 VAL 1 7.675 8.522 -2.839 10 H CYS 2 H CYS 2 4.201 4.376 -2.410 11 HA CYS 2 HA CYS 2 6.653 2.929 -2.819 12 1HB CYS 2 2HB CYS 2 3.999 1.938 -1.724 13 2HB CYS 2 1HB CYS 2 5.561 1.125 -1.589 14 H GLY 3 H GLY 3 3.770 3.443 -4.527 15 1HA GLY 3 2HA GLY 3 3.043 2.678 -6.567 16 2HA GLY 3 1HA GLY 3 4.613 1.909 -6.744 17 H GLU 4 H GLU 4 2.584 1.276 -4.045 18 HA GLU 4 HA GLU 4 1.872 -1.365 -5.117 19 1HB GLU 4 2HB GLU 4 3.622 -1.802 -3.598 20 2HB GLU 4 1HB GLU 4 3.051 -0.595 -2.457 21 1HG GLU 4 2HG GLU 4 2.452 -2.521 -1.412 22 2HG GLU 4 1HG GLU 4 0.975 -2.143 -2.285 23 H THR 5 H THR 5 -0.088 -2.228 -4.337 24 HA THR 5 HA THR 5 -1.882 -0.244 -3.102 25 HB THR 5 HB THR 5 -3.772 -1.406 -4.083 26 HG1 THR 5 1HG THR 5 -1.932 -3.326 -4.549 27 1HG2 THR 5 1HG2 THR 5 -3.493 0.112 -5.697 28 2HG2 THR 5 2HG2 THR 5 -2.711 -1.158 -6.645 29 3HG2 THR 5 3HG2 THR 5 -1.736 -0.061 -5.664 30 H CYS 6 H CYS 6 -3.147 -0.895 -1.398 31 HA CYS 6 HA CYS 6 -2.592 -3.608 -0.403 32 1HB CYS 6 2HB CYS 6 -3.074 -2.584 1.889 33 2HB CYS 6 1HB CYS 6 -1.533 -2.235 1.127 34 H VAL 7 H VAL 7 -4.607 -3.069 -2.147 35 HA VAL 7 HA VAL 7 -7.132 -2.506 -1.131 36 HB VAL 7 HB VAL 7 -6.536 -4.579 -3.253 37 1HG1 VAL 7 1HG1 VAL 7 -8.711 -4.109 -4.107 38 2HG1 VAL 7 2HG1 VAL 7 -8.925 -2.765 -2.985 39 3HG1 VAL 7 3HG1 VAL 7 -8.878 -4.421 -2.379 40 1HG2 VAL 7 1HG2 VAL 7 -5.336 -2.504 -3.738 41 2HG2 VAL 7 2HG2 VAL 7 -6.838 -1.595 -3.572 42 3HG2 VAL 7 3HG2 VAL 7 -6.654 -2.764 -4.880 43 H GLY 8 H GLY 8 -5.084 -5.229 -0.625 44 1HA GLY 8 2HA GLY 8 -7.313 -6.752 0.584 45 2HA GLY 8 1HA GLY 8 -5.788 -7.453 0.053 46 H GLY 9 H GLY 9 -5.863 -4.432 1.735 47 1HA GLY 9 2HA GLY 9 -5.051 -3.763 3.764 48 2HA GLY 9 1HA GLY 9 -5.677 -5.280 4.393 49 H THR 10 H THR 10 -3.148 -4.914 1.933 50 HA THR 10 HA THR 10 -1.106 -5.609 3.892 51 HB THR 10 HB THR 10 -0.483 -7.409 1.929 52 HG1 THR 10 1HG THR 10 -3.293 -7.623 2.408 53 1HG2 THR 10 1HG2 THR 10 -1.695 -9.034 3.680 54 2HG2 THR 10 2HG2 THR 10 -1.639 -7.559 4.647 55 3HG2 THR 10 3HG2 THR 10 -0.149 -8.250 4.003 56 H CYS 11 H CYS 11 0.902 -4.995 3.346 57 HA CYS 11 HA CYS 11 1.363 -3.961 0.636 58 1HB CYS 11 2HB CYS 11 2.302 -2.752 3.233 59 2HB CYS 11 1HB CYS 11 2.820 -2.221 1.644 60 H ASN 12 H ASN 12 3.016 -4.872 -0.317 61 HA ASN 12 HA ASN 12 4.705 -6.736 1.048 62 1HB ASN 12 2HB ASN 12 4.712 -5.740 -1.809 63 2HB ASN 12 1HB ASN 12 5.748 -7.028 -1.204 64 1HD2 ASN 12 1HD2 ASN 12 2.758 -6.234 -2.526 65 2HD2 ASN 12 2HD2 ASN 12 1.993 -7.779 -2.337 66 H THR 13 H THR 13 4.968 -3.463 -0.157 67 HA THR 13 HA THR 13 7.777 -3.210 -0.039 68 HB THR 13 HB THR 13 6.075 -0.845 0.535 69 HG1 THR 13 1HG THR 13 6.000 -2.354 -1.892 70 1HG2 THR 13 1HG2 THR 13 8.001 0.097 -0.106 71 2HG2 THR 13 2HG2 THR 13 7.676 -0.485 -1.739 72 3HG2 THR 13 3HG2 THR 13 8.648 -1.457 -0.633 73 HA PRO 14 HA PRO 14 7.962 -3.234 4.455 74 1HB PRO 14 2HB PRO 14 10.838 -2.883 4.105 75 2HB PRO 14 1HB PRO 14 9.948 -4.241 4.792 76 1HG PRO 14 2HG PRO 14 11.237 -4.393 2.413 77 2HG PRO 14 1HG PRO 14 9.766 -5.317 2.769 78 1HD PRO 14 2HD PRO 14 10.080 -2.781 1.203 79 2HD PRO 14 1HD PRO 14 9.065 -4.201 0.859 80 H GLY 15 H GLY 15 7.425 -1.467 5.513 81 1HA GLY 15 2HA GLY 15 8.242 0.500 6.676 82 2HA GLY 15 1HA GLY 15 9.122 0.926 5.214 83 H CYS 16 H CYS 16 6.506 -0.120 3.871 84 HA CYS 16 HA CYS 16 5.329 2.530 3.702 85 1HB CYS 16 2HB CYS 16 4.831 -0.014 2.153 86 2HB CYS 16 1HB CYS 16 3.990 1.504 1.843 87 H THR 17 H THR 17 3.369 3.118 4.401 88 HA THR 17 HA THR 17 1.971 1.262 6.158 89 HB THR 17 HB THR 17 2.431 3.566 6.959 90 HG1 THR 17 1HG THR 17 0.689 3.224 8.084 91 1HG2 THR 17 1HG2 THR 17 1.705 5.477 5.950 92 2HG2 THR 17 2HG2 THR 17 0.304 4.694 5.220 93 3HG2 THR 17 3HG2 THR 17 1.905 4.468 4.517 94 H CYS 18 H CYS 18 -0.693 2.358 5.796 95 HA CYS 18 HA CYS 18 -1.274 1.943 2.980 96 1HB CYS 18 2HB CYS 18 -1.192 -0.349 3.670 97 2HB CYS 18 1HB CYS 18 -2.140 -0.002 5.116 98 H SER 19 H SER 19 -2.997 3.009 2.319 99 HA SER 19 HA SER 19 -4.735 4.293 4.305 100 1HB SER 19 2HB SER 19 -3.727 5.733 2.534 101 2HB SER 19 1HB SER 19 -4.518 4.749 1.305 102 HG SER 19 HG SER 19 -6.161 5.774 3.286 103 H TRP 20 H TRP 20 -4.817 2.499 1.289 104 HA TRP 20 HA TRP 20 -6.465 0.493 2.024 105 1HB TRP 20 2HB TRP 20 -8.478 1.653 2.241 106 2HB TRP 20 1HB TRP 20 -8.109 2.740 0.894 107 HD1 TRP 20 HD TRP 20 -8.378 -1.149 1.126 108 HE1 TRP 20 1HE TRP 20 -9.678 -1.969 -0.930 109 HE3 TRP 20 3HE TRP 20 -9.476 3.367 -0.992 110 HZ2 TRP 20 2HZ TRP 20 -11.023 -0.844 -3.139 111 HZ3 TRP 20 3HZ TRP 20 -10.754 3.403 -3.081 112 HH2 TRP 20 HH TRP 20 -11.524 1.338 -4.129 113 HA PRO 21 HA PRO 21 -5.903 -0.061 -2.466 114 1HB PRO 21 2HB PRO 21 -6.363 1.742 -4.330 115 2HB PRO 21 1HB PRO 21 -7.698 1.147 -3.334 116 1HG PRO 21 2HG PRO 21 -6.266 3.748 -3.205 117 2HG PRO 21 1HG PRO 21 -7.962 3.387 -2.870 118 1HD PRO 21 2HD PRO 21 -5.851 3.629 -0.976 119 2HD PRO 21 1HD PRO 21 -7.514 3.100 -0.662 120 H VAL 22 H VAL 22 -4.070 2.150 -0.960 121 HA VAL 22 HA VAL 22 -1.848 1.714 -2.763 122 HB VAL 22 HB VAL 22 -1.250 4.202 -2.624 123 1HG1 VAL 22 1HG1 VAL 22 -1.856 3.323 -4.737 124 2HG1 VAL 22 2HG1 VAL 22 -2.824 4.782 -4.519 125 3HG1 VAL 22 3HG1 VAL 22 -3.552 3.193 -4.269 126 1HG2 VAL 22 1HG2 VAL 22 -3.556 5.510 -2.606 127 2HG2 VAL 22 2HG2 VAL 22 -2.638 5.213 -1.130 128 3HG2 VAL 22 3HG2 VAL 22 -4.007 4.178 -1.541 129 H CYS 23 H CYS 23 -0.019 1.470 -1.732 130 HA CYS 23 HA CYS 23 0.022 1.795 1.161 131 1HB CYS 23 2HB CYS 23 2.088 0.672 -0.745 132 2HB CYS 23 1HB CYS 23 2.195 0.622 1.007 133 H THR 24 H THR 24 0.621 3.678 2.007 134 HA THR 24 HA THR 24 2.009 5.651 0.448 135 HB THR 24 HB THR 24 1.421 5.806 3.401 136 HG1 THR 24 1HG THR 24 -0.369 6.846 1.511 137 1HG2 THR 24 1HG2 THR 24 2.726 7.547 1.722 138 2HG2 THR 24 2HG2 THR 24 1.935 7.987 3.237 139 3HG2 THR 24 3HG2 THR 24 1.074 8.164 1.707 Start of MODEL 17 1 H VAL 1 H VAL 1 6.367 6.389 -1.187 2 HA VAL 1 HA VAL 1 4.976 6.634 -3.763 3 HB VAL 1 HB VAL 1 7.969 6.956 -3.572 4 1HG1 VAL 1 1HG1 VAL 1 6.356 8.178 -5.730 5 2HG1 VAL 1 2HG1 VAL 1 6.460 6.417 -5.718 6 3HG1 VAL 1 3HG1 VAL 1 7.931 7.388 -5.796 7 1HG2 VAL 1 1HG2 VAL 1 5.855 8.984 -3.108 8 2HG2 VAL 1 2HG2 VAL 1 7.239 9.461 -4.092 9 3HG2 VAL 1 3HG2 VAL 1 7.487 8.873 -2.447 10 H CYS 2 H CYS 2 4.784 4.442 -2.227 11 HA CYS 2 HA CYS 2 6.829 2.512 -2.838 12 1HB CYS 2 2HB CYS 2 4.080 1.875 -1.747 13 2HB CYS 2 1HB CYS 2 5.606 1.018 -1.473 14 H GLY 3 H GLY 3 3.850 3.584 -4.195 15 1HA GLY 3 2HA GLY 3 2.815 3.119 -6.184 16 2HA GLY 3 1HA GLY 3 4.300 2.320 -6.664 17 H GLU 4 H GLU 4 2.596 1.267 -3.848 18 HA GLU 4 HA GLU 4 1.613 -1.069 -5.339 19 1HB GLU 4 2HB GLU 4 3.571 -1.616 -3.914 20 2HB GLU 4 1HB GLU 4 2.687 -1.038 -2.513 21 1HG GLU 4 2HG GLU 4 2.711 -3.501 -2.768 22 2HG GLU 4 1HG GLU 4 1.098 -2.799 -2.682 23 H THR 5 H THR 5 -0.310 -2.023 -4.550 24 HA THR 5 HA THR 5 -1.993 -0.136 -3.042 25 HB THR 5 HB THR 5 -3.928 -1.216 -4.007 26 HG1 THR 5 1HG THR 5 -1.996 -3.056 -4.894 27 1HG2 THR 5 1HG2 THR 5 -2.904 -0.971 -6.593 28 2HG2 THR 5 2HG2 THR 5 -1.911 0.108 -5.613 29 3HG2 THR 5 3HG2 THR 5 -3.667 0.296 -5.628 30 H CYS 6 H CYS 6 -3.275 -0.890 -1.358 31 HA CYS 6 HA CYS 6 -2.645 -3.622 -0.464 32 1HB CYS 6 2HB CYS 6 -3.113 -2.688 1.877 33 2HB CYS 6 1HB CYS 6 -1.577 -2.320 1.116 34 H VAL 7 H VAL 7 -4.682 -3.006 -2.158 35 HA VAL 7 HA VAL 7 -7.202 -2.523 -1.076 36 HB VAL 7 HB VAL 7 -6.606 -4.420 -3.356 37 1HG1 VAL 7 1HG1 VAL 7 -8.959 -4.260 -2.356 38 2HG1 VAL 7 2HG1 VAL 7 -8.793 -4.054 -4.100 39 3HG1 VAL 7 3HG1 VAL 7 -9.006 -2.644 -3.062 40 1HG2 VAL 7 1HG2 VAL 7 -7.179 -1.499 -3.690 41 2HG2 VAL 7 2HG2 VAL 7 -6.460 -2.631 -4.836 42 3HG2 VAL 7 3HG2 VAL 7 -5.532 -2.079 -3.440 43 H GLY 8 H GLY 8 -5.124 -5.251 -0.797 44 1HA GLY 8 2HA GLY 8 -7.326 -6.904 0.278 45 2HA GLY 8 1HA GLY 8 -5.771 -7.522 -0.270 46 H GLY 9 H GLY 9 -5.932 -4.629 1.611 47 1HA GLY 9 2HA GLY 9 -5.176 -4.094 3.702 48 2HA GLY 9 1HA GLY 9 -5.785 -5.664 4.208 49 H THR 10 H THR 10 -3.232 -5.059 1.826 50 HA THR 10 HA THR 10 -1.207 -5.890 3.749 51 HB THR 10 HB THR 10 -0.542 -7.464 1.593 52 HG1 THR 10 1HG THR 10 -3.330 -7.802 2.134 53 1HG2 THR 10 1HG2 THR 10 -1.303 -7.800 4.351 54 2HG2 THR 10 2HG2 THR 10 -0.145 -8.712 3.383 55 3HG2 THR 10 3HG2 THR 10 -1.851 -9.163 3.374 56 H CYS 11 H CYS 11 0.775 -5.170 3.312 57 HA CYS 11 HA CYS 11 1.255 -3.889 0.719 58 1HB CYS 11 2HB CYS 11 1.983 -2.902 3.464 59 2HB CYS 11 1HB CYS 11 2.770 -2.304 2.011 60 H ASN 12 H ASN 12 3.062 -4.405 -0.258 61 HA ASN 12 HA ASN 12 4.666 -6.543 0.796 62 1HB ASN 12 2HB ASN 12 4.598 -5.096 -1.846 63 2HB ASN 12 1HB ASN 12 5.861 -6.264 -1.464 64 1HD2 ASN 12 1HD2 ASN 12 2.821 -5.862 -2.768 65 2HD2 ASN 12 2HD2 ASN 12 2.313 -7.510 -2.760 66 H THR 13 H THR 13 5.150 -3.144 -0.078 67 HA THR 13 HA THR 13 7.922 -3.130 0.584 68 HB THR 13 HB THR 13 6.295 -0.629 0.657 69 HG1 THR 13 1HG THR 13 7.055 -1.416 -1.876 70 1HG2 THR 13 1HG2 THR 13 8.864 -0.865 0.878 71 2HG2 THR 13 2HG2 THR 13 8.226 0.361 -0.218 72 3HG2 THR 13 3HG2 THR 13 8.832 -1.166 -0.860 73 HA PRO 14 HA PRO 14 7.209 -3.296 5.009 74 1HB PRO 14 2HB PRO 14 9.815 -2.704 5.703 75 2HB PRO 14 1HB PRO 14 9.209 -4.313 5.317 76 1HG PRO 14 2HG PRO 14 10.690 -2.384 3.589 77 2HG PRO 14 1HG PRO 14 10.852 -4.146 3.697 78 1HD PRO 14 2HD PRO 14 9.528 -2.973 1.677 79 2HD PRO 14 1HD PRO 14 9.000 -4.525 2.360 80 H GLY 15 H GLY 15 9.272 -0.683 3.756 81 1HA GLY 15 2HA GLY 15 8.587 1.047 5.961 82 2HA GLY 15 1HA GLY 15 9.551 1.473 4.560 83 H CYS 16 H CYS 16 6.300 0.162 4.635 84 HA CYS 16 HA CYS 16 5.233 2.733 3.702 85 1HB CYS 16 2HB CYS 16 4.870 0.086 2.284 86 2HB CYS 16 1HB CYS 16 4.005 1.566 1.869 87 H THR 17 H THR 17 3.278 3.203 4.491 88 HA THR 17 HA THR 17 2.013 1.244 6.233 89 HB THR 17 HB THR 17 2.355 3.548 7.079 90 HG1 THR 17 1HG THR 17 0.651 3.058 8.209 91 1HG2 THR 17 1HG2 THR 17 1.332 5.446 6.187 92 2HG2 THR 17 2HG2 THR 17 0.211 4.498 5.209 93 3HG2 THR 17 3HG2 THR 17 1.915 4.582 4.764 94 H CYS 18 H CYS 18 -0.709 2.275 5.891 95 HA CYS 18 HA CYS 18 -1.292 1.856 3.084 96 1HB CYS 18 2HB CYS 18 -1.150 -0.446 3.718 97 2HB CYS 18 1HB CYS 18 -2.073 -0.153 5.193 98 H SER 19 H SER 19 -2.988 2.962 2.471 99 HA SER 19 HA SER 19 -4.735 4.170 4.494 100 1HB SER 19 2HB SER 19 -4.750 4.650 1.499 101 2HB SER 19 1HB SER 19 -5.441 5.678 2.756 102 HG SER 19 HG SER 19 -3.098 5.699 3.516 103 H TRP 20 H TRP 20 -4.862 2.421 1.462 104 HA TRP 20 HA TRP 20 -6.485 0.388 2.180 105 1HB TRP 20 2HB TRP 20 -8.501 1.525 2.460 106 2HB TRP 20 1HB TRP 20 -8.155 2.660 1.149 107 HD1 TRP 20 HD TRP 20 -8.421 -1.233 1.246 108 HE1 TRP 20 1HE TRP 20 -9.763 -1.977 -0.814 109 HE3 TRP 20 3HE TRP 20 -9.545 3.358 -0.686 110 HZ2 TRP 20 2HZ TRP 20 -11.138 -0.769 -2.960 111 HZ3 TRP 20 3HZ TRP 20 -10.857 3.472 -2.751 112 HH2 TRP 20 HH TRP 20 -11.648 1.447 -3.860 113 HA PRO 21 HA PRO 21 -5.961 -0.013 -2.341 114 1HB PRO 21 2HB PRO 21 -6.456 1.859 -4.131 115 2HB PRO 21 1HB PRO 21 -7.777 1.209 -3.149 116 1HG PRO 21 2HG PRO 21 -6.381 3.822 -2.937 117 2HG PRO 21 1HG PRO 21 -8.065 3.420 -2.584 118 1HD PRO 21 2HD PRO 21 -5.913 3.617 -0.726 119 2HD PRO 21 1HD PRO 21 -7.568 3.075 -0.397 120 H VAL 22 H VAL 22 -4.116 2.086 -0.738 121 HA VAL 22 HA VAL 22 -1.918 1.785 -2.593 122 HB VAL 22 HB VAL 22 -1.319 4.265 -2.280 123 1HG1 VAL 22 1HG1 VAL 22 -2.874 4.964 -4.142 124 2HG1 VAL 22 2HG1 VAL 22 -3.617 3.370 -3.998 125 3HG1 VAL 22 3HG1 VAL 22 -1.916 3.515 -4.448 126 1HG2 VAL 22 1HG2 VAL 22 -2.743 5.104 -0.683 127 2HG2 VAL 22 2HG2 VAL 22 -4.125 4.183 -1.283 128 3HG2 VAL 22 3HG2 VAL 22 -3.565 5.608 -2.162 129 H CYS 23 H CYS 23 -0.068 1.477 -1.604 130 HA CYS 23 HA CYS 23 0.019 1.572 1.306 131 1HB CYS 23 2HB CYS 23 2.046 0.631 -0.743 132 2HB CYS 23 1HB CYS 23 2.266 0.513 0.992 133 H THR 24 H THR 24 -0.155 4.093 -0.017 134 HA THR 24 HA THR 24 0.774 6.156 -0.159 135 HB THR 24 HB THR 24 2.212 6.844 1.762 136 HG1 THR 24 1HG THR 24 2.547 4.173 1.987 137 1HG2 THR 24 1HG2 THR 24 -0.172 7.037 1.968 138 2HG2 THR 24 2HG2 THR 24 0.469 6.430 3.494 139 3HG2 THR 24 3HG2 THR 24 -0.322 5.326 2.369 Start of MODEL 18 1 H VAL 1 H VAL 1 8.027 7.046 -2.947 2 HA VAL 1 HA VAL 1 5.244 6.760 -2.392 3 HB VAL 1 HB VAL 1 6.008 6.909 -5.316 4 1HG1 VAL 1 1HG1 VAL 1 3.427 6.348 -3.881 5 2HG1 VAL 1 2HG1 VAL 1 4.251 5.361 -5.089 6 3HG1 VAL 1 3HG1 VAL 1 3.477 6.872 -5.565 7 1HG2 VAL 1 1HG2 VAL 1 6.007 9.138 -4.302 8 2HG2 VAL 1 2HG2 VAL 1 4.379 8.857 -3.685 9 3HG2 VAL 1 3HG2 VAL 1 4.661 8.939 -5.424 10 H CYS 2 H CYS 2 4.817 4.641 -2.157 11 HA CYS 2 HA CYS 2 6.919 2.744 -2.626 12 1HB CYS 2 2HB CYS 2 4.120 2.104 -1.648 13 2HB CYS 2 1HB CYS 2 5.619 1.211 -1.345 14 H GLY 3 H GLY 3 4.020 3.741 -4.203 15 1HA GLY 3 2HA GLY 3 3.075 3.146 -6.210 16 2HA GLY 3 1HA GLY 3 4.609 2.371 -6.584 17 H GLU 4 H GLU 4 2.692 1.570 -3.831 18 HA GLU 4 HA GLU 4 1.930 -0.991 -5.045 19 1HB GLU 4 2HB GLU 4 3.762 -1.457 -3.616 20 2HB GLU 4 1HB GLU 4 3.162 -0.390 -2.368 21 1HG GLU 4 2HG GLU 4 2.851 -2.575 -1.616 22 2HG GLU 4 1HG GLU 4 1.263 -1.964 -2.048 23 H THR 5 H THR 5 0.015 -1.900 -4.288 24 HA THR 5 HA THR 5 -1.774 -0.025 -2.880 25 HB THR 5 HB THR 5 -3.666 -1.092 -3.956 26 HG1 THR 5 1HG THR 5 -1.738 -2.928 -4.689 27 1HG2 THR 5 1HG2 THR 5 -1.610 0.334 -5.428 28 2HG2 THR 5 2HG2 THR 5 -3.367 0.509 -5.485 29 3HG2 THR 5 3HG2 THR 5 -2.564 -0.703 -6.489 30 H CYS 6 H CYS 6 -3.079 -0.829 -1.253 31 HA CYS 6 HA CYS 6 -2.515 -3.607 -0.470 32 1HB CYS 6 2HB CYS 6 -2.983 -2.787 1.903 33 2HB CYS 6 1HB CYS 6 -1.444 -2.379 1.174 34 H VAL 7 H VAL 7 -4.518 -2.891 -2.166 35 HA VAL 7 HA VAL 7 -7.039 -2.377 -1.133 36 HB VAL 7 HB VAL 7 -6.446 -4.291 -3.400 37 1HG1 VAL 7 1HG1 VAL 7 -8.629 -4.306 -3.829 38 2HG1 VAL 7 2HG1 VAL 7 -8.730 -2.550 -3.717 39 3HG1 VAL 7 3HG1 VAL 7 -8.866 -3.535 -2.260 40 1HG2 VAL 7 1HG2 VAL 7 -6.251 -2.492 -4.880 41 2HG2 VAL 7 2HG2 VAL 7 -5.297 -2.001 -3.481 42 3HG2 VAL 7 3HG2 VAL 7 -6.917 -1.345 -3.717 43 H GLY 8 H GLY 8 -5.055 -5.176 -0.796 44 1HA GLY 8 2HA GLY 8 -7.343 -6.723 0.266 45 2HA GLY 8 1HA GLY 8 -5.840 -7.430 -0.315 46 H GLY 9 H GLY 9 -5.716 -4.553 1.567 47 1HA GLY 9 2HA GLY 9 -4.947 -4.089 3.671 48 2HA GLY 9 1HA GLY 9 -5.597 -5.647 4.160 49 H THR 10 H THR 10 -3.109 -5.177 1.696 50 HA THR 10 HA THR 10 -1.077 -6.149 3.576 51 HB THR 10 HB THR 10 -0.276 -7.728 1.741 52 HG1 THR 10 1HG THR 10 -1.644 -6.959 0.078 53 1HG2 THR 10 1HG2 THR 10 -2.210 -8.089 3.799 54 2HG2 THR 10 2HG2 THR 10 -1.050 -9.252 3.156 55 3HG2 THR 10 3HG2 THR 10 -2.651 -9.109 2.429 56 H CYS 11 H CYS 11 0.860 -5.261 3.275 57 HA CYS 11 HA CYS 11 1.409 -3.935 0.715 58 1HB CYS 11 2HB CYS 11 2.038 -2.998 3.490 59 2HB CYS 11 1HB CYS 11 2.885 -2.375 2.088 60 H ASN 12 H ASN 12 2.991 -4.805 -0.279 61 HA ASN 12 HA ASN 12 4.738 -6.733 0.860 62 1HB ASN 12 2HB ASN 12 4.617 -5.407 -1.848 63 2HB ASN 12 1HB ASN 12 5.869 -6.572 -1.428 64 1HD2 ASN 12 1HD2 ASN 12 2.769 -6.150 -2.643 65 2HD2 ASN 12 2HD2 ASN 12 2.263 -7.809 -2.589 66 H THR 13 H THR 13 4.966 -3.329 0.045 67 HA THR 13 HA THR 13 7.788 -3.130 0.496 68 HB THR 13 HB THR 13 6.033 -0.741 0.764 69 HG1 THR 13 1HG THR 13 6.282 -2.362 -1.552 70 1HG2 THR 13 1HG2 THR 13 7.941 -0.191 -1.086 71 2HG2 THR 13 2HG2 THR 13 8.753 -1.437 -0.139 72 3HG2 THR 13 3HG2 THR 13 8.162 0.025 0.650 73 HA PRO 14 HA PRO 14 7.231 -3.441 4.956 74 1HB PRO 14 2HB PRO 14 10.114 -2.801 4.997 75 2HB PRO 14 1HB PRO 14 9.262 -4.199 5.660 76 1HG PRO 14 2HG PRO 14 10.780 -4.414 3.469 77 2HG PRO 14 1HG PRO 14 9.270 -5.329 3.640 78 1HD PRO 14 2HD PRO 14 9.810 -2.836 2.069 79 2HD PRO 14 1HD PRO 14 8.845 -4.260 1.625 80 H GLY 15 H GLY 15 9.315 -0.862 3.651 81 1HA GLY 15 2HA GLY 15 8.802 0.815 5.946 82 2HA GLY 15 1HA GLY 15 9.728 1.247 4.522 83 H CYS 16 H CYS 16 6.426 0.065 4.679 84 HA CYS 16 HA CYS 16 5.438 2.711 3.901 85 1HB CYS 16 2HB CYS 16 4.986 0.171 2.327 86 2HB CYS 16 1HB CYS 16 4.106 1.674 2.049 87 H THR 17 H THR 17 3.415 3.172 4.551 88 HA THR 17 HA THR 17 2.169 1.298 6.395 89 HB THR 17 HB THR 17 2.477 3.653 7.091 90 HG1 THR 17 1HG THR 17 0.780 3.106 8.225 91 1HG2 THR 17 1HG2 THR 17 0.297 4.645 5.364 92 2HG2 THR 17 2HG2 THR 17 1.846 4.363 4.571 93 3HG2 THR 17 3HG2 THR 17 1.747 5.463 5.946 94 H CYS 18 H CYS 18 -0.557 2.329 5.969 95 HA CYS 18 HA CYS 18 -1.201 1.807 3.216 96 1HB CYS 18 2HB CYS 18 -0.927 -0.495 3.824 97 2HB CYS 18 1HB CYS 18 -1.820 -0.260 5.328 98 H SER 19 H SER 19 -2.991 2.818 2.675 99 HA SER 19 HA SER 19 -4.744 3.842 4.802 100 1HB SER 19 2HB SER 19 -5.660 5.216 2.782 101 2HB SER 19 1HB SER 19 -4.086 5.653 3.447 102 HG SER 19 HG SER 19 -3.176 5.096 1.637 103 H TRP 20 H TRP 20 -4.799 2.373 1.617 104 HA TRP 20 HA TRP 20 -6.413 0.267 2.172 105 1HB TRP 20 2HB TRP 20 -8.440 1.377 2.485 106 2HB TRP 20 1HB TRP 20 -8.077 2.590 1.250 107 HD1 TRP 20 HD TRP 20 -8.344 -1.303 1.133 108 HE1 TRP 20 1HE TRP 20 -9.623 -1.939 -1.000 109 HE3 TRP 20 3HE TRP 20 -9.403 3.382 -0.601 110 HZ2 TRP 20 2HZ TRP 20 -10.933 -0.622 -3.121 111 HZ3 TRP 20 3HZ TRP 20 -10.655 3.602 -2.696 112 HH2 TRP 20 HH TRP 20 -11.415 1.639 -3.926 113 HA PRO 21 HA PRO 21 -5.844 0.122 -2.344 114 1HB PRO 21 2HB PRO 21 -6.277 2.082 -4.040 115 2HB PRO 21 1HB PRO 21 -7.624 1.411 -3.112 116 1HG PRO 21 2HG PRO 21 -6.177 3.980 -2.738 117 2HG PRO 21 1HG PRO 21 -7.879 3.604 -2.454 118 1HD PRO 21 2HD PRO 21 -5.791 3.660 -0.522 119 2HD PRO 21 1HD PRO 21 -7.458 3.110 -0.277 120 H VAL 22 H VAL 22 -4.022 2.180 -0.630 121 HA VAL 22 HA VAL 22 -1.771 1.866 -2.415 122 HB VAL 22 HB VAL 22 -1.134 4.323 -2.065 123 1HG1 VAL 22 1HG1 VAL 22 -2.673 5.077 -3.939 124 2HG1 VAL 22 2HG1 VAL 22 -3.397 3.471 -3.843 125 3HG1 VAL 22 3HG1 VAL 22 -1.690 3.647 -4.254 126 1HG2 VAL 22 1HG2 VAL 22 -3.940 4.286 -1.094 127 2HG2 VAL 22 2HG2 VAL 22 -3.379 5.698 -1.993 128 3HG2 VAL 22 3HG2 VAL 22 -2.557 5.211 -0.510 129 H CYS 23 H CYS 23 0.053 1.567 -1.367 130 HA CYS 23 HA CYS 23 0.000 1.383 1.503 131 1HB CYS 23 2HB CYS 23 2.149 0.868 -0.558 132 2HB CYS 23 1HB CYS 23 2.403 0.632 1.162 133 H THR 24 H THR 24 -0.512 3.918 1.130 134 HA THR 24 HA THR 24 1.493 5.297 2.524 135 HB THR 24 HB THR 24 2.675 5.299 0.355 136 HG1 THR 24 1HG THR 24 3.308 7.140 1.182 137 1HG2 THR 24 1HG2 THR 24 0.239 6.786 -0.634 138 2HG2 THR 24 2HG2 THR 24 0.800 5.204 -1.174 139 3HG2 THR 24 3HG2 THR 24 1.761 6.643 -1.515 Start of MODEL 19 1 H VAL 1 H VAL 1 2.471 7.068 -2.961 2 HA VAL 1 HA VAL 1 4.325 7.064 -4.424 3 HB VAL 1 HB VAL 1 6.262 7.891 -3.158 4 1HG1 VAL 1 1HG1 VAL 1 5.281 9.880 -2.895 5 2HG1 VAL 1 2HG1 VAL 1 4.168 9.269 -1.671 6 3HG1 VAL 1 3HG1 VAL 1 3.793 9.067 -3.381 7 1HG2 VAL 1 1HG2 VAL 1 5.002 7.871 -0.538 8 2HG2 VAL 1 2HG2 VAL 1 6.647 7.440 -1.006 9 3HG2 VAL 1 3HG2 VAL 1 5.354 6.248 -1.134 10 H CYS 2 H CYS 2 3.980 4.479 -2.365 11 HA CYS 2 HA CYS 2 6.538 3.237 -2.805 12 1HB CYS 2 2HB CYS 2 3.958 2.131 -1.649 13 2HB CYS 2 1HB CYS 2 5.504 1.274 -1.664 14 H GLY 3 H GLY 3 3.669 3.596 -4.540 15 1HA GLY 3 2HA GLY 3 2.989 2.779 -6.580 16 2HA GLY 3 1HA GLY 3 4.602 2.096 -6.743 17 H GLU 4 H GLU 4 2.508 1.430 -4.099 18 HA GLU 4 HA GLU 4 1.945 -1.269 -5.093 19 1HB GLU 4 2HB GLU 4 3.673 -1.748 -3.655 20 2HB GLU 4 1HB GLU 4 3.355 -0.367 -2.633 21 1HG GLU 4 2HG GLU 4 2.894 -2.207 -1.319 22 2HG GLU 4 1HG GLU 4 1.319 -1.619 -1.823 23 H THR 5 H THR 5 0.054 -2.217 -4.198 24 HA THR 5 HA THR 5 -1.800 -0.259 -3.006 25 HB THR 5 HB THR 5 -3.663 -1.438 -3.993 26 HG1 THR 5 1HG THR 5 -1.778 -3.351 -4.438 27 1HG2 THR 5 1HG2 THR 5 -2.510 -1.269 -6.545 28 2HG2 THR 5 2HG2 THR 5 -1.639 -0.093 -5.559 29 3HG2 THR 5 3HG2 THR 5 -3.399 -0.010 -5.684 30 H CYS 6 H CYS 6 -3.054 -0.893 -1.315 31 HA CYS 6 HA CYS 6 -2.492 -3.582 -0.255 32 1HB CYS 6 2HB CYS 6 -3.044 -2.513 2.001 33 2HB CYS 6 1HB CYS 6 -1.490 -2.159 1.271 34 H VAL 7 H VAL 7 -4.472 -3.132 -2.054 35 HA VAL 7 HA VAL 7 -7.022 -2.539 -1.133 36 HB VAL 7 HB VAL 7 -6.362 -4.703 -3.142 37 1HG1 VAL 7 1HG1 VAL 7 -8.732 -4.513 -2.333 38 2HG1 VAL 7 2HG1 VAL 7 -8.515 -4.295 -4.069 39 3HG1 VAL 7 3HG1 VAL 7 -8.766 -2.893 -3.030 40 1HG2 VAL 7 1HG2 VAL 7 -6.863 -2.596 -4.693 41 2HG2 VAL 7 2HG2 VAL 7 -5.239 -2.995 -4.132 42 3HG2 VAL 7 3HG2 VAL 7 -6.177 -1.751 -3.306 43 H GLY 8 H GLY 8 -4.998 -5.238 -0.429 44 1HA GLY 8 2HA GLY 8 -7.276 -6.682 0.786 45 2HA GLY 8 1HA GLY 8 -5.756 -7.431 0.314 46 H GLY 9 H GLY 9 -5.684 -4.344 1.821 47 1HA GLY 9 2HA GLY 9 -4.961 -3.608 3.862 48 2HA GLY 9 1HA GLY 9 -5.590 -5.105 4.534 49 H THR 10 H THR 10 -3.119 -5.039 2.038 50 HA THR 10 HA THR 10 -1.022 -5.536 4.017 51 HB THR 10 HB THR 10 -0.252 -7.543 2.684 52 HG1 THR 10 1HG THR 10 -1.736 -7.038 0.890 53 1HG2 THR 10 1HG2 THR 10 -2.301 -8.982 3.621 54 2HG2 THR 10 2HG2 THR 10 -2.619 -7.470 4.471 55 3HG2 THR 10 3HG2 THR 10 -1.069 -8.288 4.675 56 H CYS 11 H CYS 11 0.913 -4.769 3.391 57 HA CYS 11 HA CYS 11 1.208 -3.906 0.591 58 1HB CYS 11 2HB CYS 11 2.428 -2.734 3.087 59 2HB CYS 11 1HB CYS 11 2.807 -2.215 1.454 60 H ASN 12 H ASN 12 2.804 -4.768 -0.538 61 HA ASN 12 HA ASN 12 4.535 -6.732 0.634 62 1HB ASN 12 2HB ASN 12 4.332 -5.562 -2.139 63 2HB ASN 12 1HB ASN 12 5.603 -6.698 -1.702 64 1HD2 ASN 12 1HD2 ASN 12 2.719 -7.258 -0.031 65 2HD2 ASN 12 2HD2 ASN 12 2.119 -8.547 -1.010 66 H THR 13 H THR 13 4.823 -3.381 -0.360 67 HA THR 13 HA THR 13 7.648 -3.198 -0.217 68 HB THR 13 HB THR 13 5.993 -0.815 0.406 69 HG1 THR 13 1HG THR 13 5.972 -2.195 -2.102 70 1HG2 THR 13 1HG2 THR 13 7.994 -1.052 -1.805 71 2HG2 THR 13 2HG2 THR 13 8.564 -1.043 -0.136 72 3HG2 THR 13 3HG2 THR 13 7.634 0.320 -0.757 73 HA PRO 14 HA PRO 14 7.744 -3.349 4.274 74 1HB PRO 14 2HB PRO 14 10.633 -3.102 4.016 75 2HB PRO 14 1HB PRO 14 9.672 -4.459 4.604 76 1HG PRO 14 2HG PRO 14 11.035 -4.528 2.257 77 2HG PRO 14 1HG PRO 14 9.534 -5.433 2.528 78 1HD PRO 14 2HD PRO 14 9.949 -2.833 1.096 79 2HD PRO 14 1HD PRO 14 8.913 -4.209 0.656 80 H GLY 15 H GLY 15 7.269 -1.605 5.396 81 1HA GLY 15 2HA GLY 15 8.112 0.289 6.639 82 2HA GLY 15 1HA GLY 15 9.075 0.717 5.232 83 H CYS 16 H CYS 16 6.351 -0.199 3.872 84 HA CYS 16 HA CYS 16 5.401 2.536 3.643 85 1HB CYS 16 2HB CYS 16 4.713 0.008 2.147 86 2HB CYS 16 1HB CYS 16 3.952 1.567 1.825 87 H THR 17 H THR 17 3.395 3.270 4.164 88 HA THR 17 HA THR 17 1.940 1.680 6.121 89 HB THR 17 HB THR 17 2.463 4.062 6.613 90 HG1 THR 17 1HG THR 17 0.739 3.746 7.792 91 1HG2 THR 17 1HG2 THR 17 0.441 4.772 4.496 92 2HG2 THR 17 2HG2 THR 17 2.182 4.842 4.233 93 3HG2 THR 17 3HG2 THR 17 1.433 5.867 5.457 94 H CYS 18 H CYS 18 -0.695 2.746 5.637 95 HA CYS 18 HA CYS 18 -1.310 2.100 2.883 96 1HB CYS 18 2HB CYS 18 -1.164 -0.139 3.721 97 2HB CYS 18 1HB CYS 18 -2.111 0.276 5.149 98 H SER 19 H SER 19 -3.048 3.104 2.187 99 HA SER 19 HA SER 19 -4.800 4.453 4.121 100 1HB SER 19 2HB SER 19 -4.639 4.816 1.111 101 2HB SER 19 1HB SER 19 -5.495 5.852 2.254 102 HG SER 19 HG SER 19 -3.173 5.923 3.208 103 H TRP 20 H TRP 20 -4.839 2.550 1.173 104 HA TRP 20 HA TRP 20 -6.488 0.565 1.963 105 1HB TRP 20 2HB TRP 20 -8.513 1.720 2.109 106 2HB TRP 20 1HB TRP 20 -8.139 2.750 0.721 107 HD1 TRP 20 HD TRP 20 -8.353 -1.127 1.112 108 HE1 TRP 20 1HE TRP 20 -9.617 -2.053 -0.922 109 HE3 TRP 20 3HE TRP 20 -9.517 3.280 -1.195 110 HZ2 TRP 20 2HZ TRP 20 -10.964 -1.045 -3.185 111 HZ3 TRP 20 3HZ TRP 20 -10.774 3.206 -3.297 112 HH2 TRP 20 HH TRP 20 -11.494 1.086 -4.267 113 HA PRO 21 HA PRO 21 -5.844 -0.154 -2.502 114 1HB PRO 21 2HB PRO 21 -6.347 1.549 -4.439 115 2HB PRO 21 1HB PRO 21 -7.675 0.974 -3.422 116 1HG PRO 21 2HG PRO 21 -6.284 3.604 -3.397 117 2HG PRO 21 1HG PRO 21 -7.981 3.233 -3.069 118 1HD PRO 21 2HD PRO 21 -5.904 3.590 -1.158 119 2HD PRO 21 1HD PRO 21 -7.559 3.038 -0.845 120 H VAL 22 H VAL 22 -4.091 2.086 -1.025 121 HA VAL 22 HA VAL 22 -1.844 1.728 -2.807 122 HB VAL 22 HB VAL 22 -1.312 4.231 -2.637 123 1HG1 VAL 22 1HG1 VAL 22 -2.849 4.794 -4.556 124 2HG1 VAL 22 2HG1 VAL 22 -3.577 3.203 -4.329 125 3HG1 VAL 22 3HG1 VAL 22 -1.871 3.341 -4.766 126 1HG2 VAL 22 1HG2 VAL 22 -3.664 5.469 -2.645 127 2HG2 VAL 22 2HG2 VAL 22 -2.743 5.203 -1.163 128 3HG2 VAL 22 3HG2 VAL 22 -4.074 4.122 -1.581 129 H CYS 23 H CYS 23 0.006 1.605 -1.772 130 HA CYS 23 HA CYS 23 -0.036 1.892 1.127 131 1HB CYS 23 2HB CYS 23 2.049 0.748 -0.744 132 2HB CYS 23 1HB CYS 23 2.157 0.737 1.013 133 H THR 24 H THR 24 0.475 3.750 1.974 134 HA THR 24 HA THR 24 1.466 5.737 2.432 135 HB THR 24 HB THR 24 3.669 4.977 0.511 136 HG1 THR 24 1HG THR 24 4.495 3.717 2.032 137 1HG2 THR 24 1HG2 THR 24 4.397 6.405 2.920 138 2HG2 THR 24 2HG2 THR 24 3.191 7.290 1.986 139 3HG2 THR 24 3HG2 THR 24 4.713 6.813 1.233 Start of MODEL 20 1 H VAL 1 H VAL 1 8.811 6.190 -2.534 2 HA VAL 1 HA VAL 1 6.373 5.777 -1.166 3 HB VAL 1 HB VAL 1 6.064 6.963 -3.933 4 1HG1 VAL 1 1HG1 VAL 1 3.823 6.559 -3.797 5 2HG1 VAL 1 2HG1 VAL 1 3.804 6.628 -2.035 6 3HG1 VAL 1 3HG1 VAL 1 4.419 5.192 -2.854 7 1HG2 VAL 1 1HG2 VAL 1 5.202 8.942 -2.942 8 2HG2 VAL 1 2HG2 VAL 1 6.745 8.608 -2.156 9 3HG2 VAL 1 3HG2 VAL 1 5.234 8.227 -1.330 10 H CYS 2 H CYS 2 5.669 3.744 -1.569 11 HA CYS 2 HA CYS 2 7.248 2.097 -3.307 12 1HB CYS 2 2HB CYS 2 4.800 1.328 -1.681 13 2HB CYS 2 1HB CYS 2 6.033 0.235 -2.331 14 H GLY 3 H GLY 3 4.076 3.543 -3.352 15 1HA GLY 3 2HA GLY 3 2.565 3.824 -5.057 16 2HA GLY 3 1HA GLY 3 3.819 3.268 -6.150 17 H GLU 4 H GLU 4 2.952 1.209 -3.575 18 HA GLU 4 HA GLU 4 1.719 -0.673 -5.439 19 1HB GLU 4 2HB GLU 4 3.607 -1.475 -4.096 20 2HB GLU 4 1HB GLU 4 2.779 -1.012 -2.624 21 1HG GLU 4 2HG GLU 4 2.711 -3.415 -3.021 22 2HG GLU 4 1HG GLU 4 1.104 -2.702 -2.978 23 H THR 5 H THR 5 -0.227 -1.810 -4.754 24 HA THR 5 HA THR 5 -1.973 -0.043 -3.184 25 HB THR 5 HB THR 5 -3.864 -1.233 -4.113 26 HG1 THR 5 1HG THR 5 -1.828 -2.875 -5.227 27 1HG2 THR 5 1HG2 THR 5 -1.941 0.215 -5.745 28 2HG2 THR 5 2HG2 THR 5 -3.701 0.343 -5.690 29 3HG2 THR 5 3HG2 THR 5 -2.935 -0.876 -6.711 30 H CYS 6 H CYS 6 -3.164 -0.810 -1.468 31 HA CYS 6 HA CYS 6 -2.468 -3.521 -0.557 32 1HB CYS 6 2HB CYS 6 -2.865 -2.560 1.785 33 2HB CYS 6 1HB CYS 6 -1.361 -2.181 0.970 34 H VAL 7 H VAL 7 -4.544 -3.008 -2.184 35 HA VAL 7 HA VAL 7 -7.044 -2.491 -1.074 36 HB VAL 7 HB VAL 7 -6.480 -4.502 -3.264 37 1HG1 VAL 7 1HG1 VAL 7 -8.702 -3.913 -4.069 38 2HG1 VAL 7 2HG1 VAL 7 -8.907 -2.794 -2.721 39 3HG1 VAL 7 3HG1 VAL 7 -8.777 -4.527 -2.417 40 1HG2 VAL 7 1HG2 VAL 7 -5.345 -2.383 -3.728 41 2HG2 VAL 7 2HG2 VAL 7 -6.866 -1.520 -3.500 42 3HG2 VAL 7 3HG2 VAL 7 -6.689 -2.655 -4.838 43 H GLY 8 H GLY 8 -4.941 -5.199 -0.720 44 1HA GLY 8 2HA GLY 8 -7.097 -6.831 0.461 45 2HA GLY 8 1HA GLY 8 -5.513 -7.427 -0.021 46 H GLY 9 H GLY 9 -5.733 -4.425 1.634 47 1HA GLY 9 2HA GLY 9 -5.019 -3.718 3.686 48 2HA GLY 9 1HA GLY 9 -5.640 -5.238 4.311 49 H THR 10 H THR 10 -3.101 -5.013 1.886 50 HA THR 10 HA THR 10 -1.043 -5.517 3.887 51 HB THR 10 HB THR 10 -0.343 -7.523 2.269 52 HG1 THR 10 1HG THR 10 -3.189 -7.697 2.296 53 1HG2 THR 10 1HG2 THR 10 -2.099 -7.490 4.688 54 2HG2 THR 10 2HG2 THR 10 -0.431 -8.036 4.520 55 3HG2 THR 10 3HG2 THR 10 -1.749 -9.021 3.886 56 H CYS 11 H CYS 11 0.958 -4.921 3.261 57 HA CYS 11 HA CYS 11 1.299 -4.006 0.484 58 1HB CYS 11 2HB CYS 11 2.408 -2.835 3.037 59 2HB CYS 11 1HB CYS 11 2.940 -2.352 1.431 60 H ASN 12 H ASN 12 3.096 -4.652 -0.583 61 HA ASN 12 HA ASN 12 4.601 -6.823 0.543 62 1HB ASN 12 2HB ASN 12 4.652 -5.433 -2.127 63 2HB ASN 12 1HB ASN 12 5.891 -6.603 -1.690 64 1HD2 ASN 12 1HD2 ASN 12 3.007 -7.403 -0.202 65 2HD2 ASN 12 2HD2 ASN 12 2.440 -8.565 -1.345 66 H THR 13 H THR 13 5.278 -3.482 -0.407 67 HA THR 13 HA THR 13 8.017 -3.626 0.434 68 HB THR 13 HB THR 13 6.649 -1.006 0.096 69 HG1 THR 13 1HG THR 13 7.374 -2.591 -2.155 70 1HG2 THR 13 1HG2 THR 13 9.276 -2.168 -0.850 71 2HG2 THR 13 2HG2 THR 13 9.046 -1.090 0.528 72 3HG2 THR 13 3HG2 THR 13 8.747 -0.505 -1.109 73 HA PRO 14 HA PRO 14 6.984 -3.092 4.757 74 1HB PRO 14 2HB PRO 14 9.553 -2.708 5.618 75 2HB PRO 14 1HB PRO 14 8.847 -4.284 5.277 76 1HG PRO 14 2HG PRO 14 10.617 -2.603 3.560 77 2HG PRO 14 1HG PRO 14 10.665 -4.355 3.839 78 1HD PRO 14 2HD PRO 14 9.589 -3.300 1.611 79 2HD PRO 14 1HD PRO 14 8.927 -4.763 2.369 80 H GLY 15 H GLY 15 9.174 -0.884 3.111 81 1HA GLY 15 2HA GLY 15 8.970 1.180 5.078 82 2HA GLY 15 1HA GLY 15 9.675 1.332 3.485 83 H CYS 16 H CYS 16 6.379 0.350 4.159 84 HA CYS 16 HA CYS 16 5.344 2.977 3.488 85 1HB CYS 16 2HB CYS 16 5.093 0.611 1.664 86 2HB CYS 16 1HB CYS 16 3.786 1.790 1.741 87 H THR 17 H THR 17 3.340 3.356 4.260 88 HA THR 17 HA THR 17 2.227 1.315 6.014 89 HB THR 17 HB THR 17 2.529 3.599 6.915 90 HG1 THR 17 1HG THR 17 0.897 2.863 8.049 91 1HG2 THR 17 1HG2 THR 17 0.340 4.525 5.071 92 2HG2 THR 17 2HG2 THR 17 2.049 4.734 4.689 93 3HG2 THR 17 3HG2 THR 17 1.368 5.494 6.128 94 H CYS 18 H CYS 18 -0.538 2.499 5.708 95 HA CYS 18 HA CYS 18 -1.184 2.001 2.944 96 1HB CYS 18 2HB CYS 18 -1.011 -0.290 3.619 97 2HB CYS 18 1HB CYS 18 -1.960 0.010 5.074 98 H SER 19 H SER 19 -2.870 3.110 2.360 99 HA SER 19 HA SER 19 -4.586 4.336 4.398 100 1HB SER 19 2HB SER 19 -4.624 4.772 1.394 101 2HB SER 19 1HB SER 19 -5.343 5.804 2.632 102 HG SER 19 HG SER 19 -3.025 5.908 3.418 103 H TRP 20 H TRP 20 -4.754 2.517 1.417 104 HA TRP 20 HA TRP 20 -6.355 0.498 2.200 105 1HB TRP 20 2HB TRP 20 -8.382 1.620 2.473 106 2HB TRP 20 1HB TRP 20 -8.062 2.728 1.134 107 HD1 TRP 20 HD TRP 20 -8.252 -1.168 1.300 108 HE1 TRP 20 1HE TRP 20 -9.613 -1.971 -0.726 109 HE3 TRP 20 3HE TRP 20 -9.519 3.369 -0.673 110 HZ2 TRP 20 2HZ TRP 20 -11.062 -0.827 -2.858 111 HZ3 TRP 20 3HZ TRP 20 -10.875 3.425 -2.712 112 HH2 TRP 20 HH TRP 20 -11.641 1.365 -3.777 113 HA PRO 21 HA PRO 21 -5.855 0.000 -2.315 114 1HB PRO 21 2HB PRO 21 -6.416 1.815 -4.146 115 2HB PRO 21 1HB PRO 21 -7.711 1.160 -3.135 116 1HG PRO 21 2HG PRO 21 -6.370 3.807 -2.998 117 2HG PRO 21 1HG PRO 21 -8.044 3.378 -2.624 118 1HD PRO 21 2HD PRO 21 -5.886 3.666 -0.786 119 2HD PRO 21 1HD PRO 21 -7.525 3.094 -0.434 120 H VAL 22 H VAL 22 -4.053 2.161 -0.761 121 HA VAL 22 HA VAL 22 -1.875 1.912 -2.649 122 HB VAL 22 HB VAL 22 -1.345 4.413 -2.331 123 1HG1 VAL 22 1HG1 VAL 22 -1.931 3.608 -4.495 124 2HG1 VAL 22 2HG1 VAL 22 -2.899 5.055 -4.200 125 3HG1 VAL 22 3HG1 VAL 22 -3.629 3.456 -4.040 126 1HG2 VAL 22 1HG2 VAL 22 -3.696 5.628 -2.234 127 2HG2 VAL 22 2HG2 VAL 22 -2.776 5.262 -0.774 128 3HG2 VAL 22 3HG2 VAL 22 -4.105 4.210 -1.266 129 H CYS 23 H CYS 23 -0.067 1.546 -1.694 130 HA CYS 23 HA CYS 23 0.165 1.686 1.193 131 1HB CYS 23 2HB CYS 23 2.125 0.784 -0.949 132 2HB CYS 23 1HB CYS 23 2.390 0.621 0.781 133 H THR 24 H THR 24 -0.038 4.013 1.283 134 HA THR 24 HA THR 24 1.873 5.737 0.075 135 HB THR 24 HB THR 24 0.903 7.374 1.848 136 HG1 THR 24 1HG THR 24 -1.404 6.106 2.105 137 1HG2 THR 24 1HG2 THR 24 0.315 7.273 -0.579 138 2HG2 THR 24 2HG2 THR 24 -1.014 7.790 0.457 139 3HG2 THR 24 3HG2 THR 24 -0.976 6.143 -0.170
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