NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625943 | 6cfb | 30409 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 HT1 ASP 1 3.429 15.962 5.139 2 H2 ASP 1 HT2 ASP 1 4.637 15.500 6.231 3 H3 ASP 1 HT3 ASP 1 3.871 14.351 5.251 4 HA ASP 1 HA ASP 1 5.533 16.556 4.220 5 HB2 ASP 1 HB2 ASP 1 6.140 13.602 4.532 6 HB3 ASP 1 HB1 ASP 1 7.094 14.700 3.552 7 H VAL 2 H VAL 2 6.252 15.808 1.954 8 HA VAL 2 HA VAL 2 3.940 15.334 0.367 9 HB VAL 2 HB VAL 2 6.889 15.306 -0.397 10 HG11 VAL 2 HG11 VAL 2 4.452 15.453 -2.165 11 HG12 VAL 2 HG12 VAL 2 5.532 14.068 -2.015 12 HG13 VAL 2 3HG1 VAL 2 6.124 15.579 -2.706 13 HG21 VAL 2 HG21 VAL 2 6.153 17.467 0.452 14 HG22 VAL 2 HG22 VAL 2 4.804 17.465 -0.683 15 HG23 VAL 2 HG23 VAL 2 6.460 17.550 -1.282 16 H SER 3 H SER 3 3.021 13.396 0.454 17 HA SER 3 HA SER 3 4.747 11.078 0.141 18 HB2 SER 3 HB2 SER 3 2.435 11.325 2.071 19 HB3 SER 3 HB1 SER 3 3.398 9.868 1.795 20 HG SER 3 HG SER 3 5.209 11.496 2.249 21 HA PRO 4 HA PRO 4 1.784 10.700 -3.305 22 HB2 PRO 4 HB2 PRO 4 3.709 8.478 -3.776 23 HB3 PRO 4 HB1 PRO 4 3.092 9.675 -4.920 24 HG2 PRO 4 HG2 PRO 4 5.563 9.868 -4.002 25 HG3 PRO 4 HG1 PRO 4 4.563 11.325 -4.166 26 HD2 PRO 4 HD2 PRO 4 5.254 9.764 -1.711 27 HD3 PRO 4 HD1 PRO 4 5.148 11.523 -1.941 28 H CYS 5 H CYS 5 0.114 9.280 -3.488 29 HA CYS 5 HA CYS 5 -0.121 7.242 -1.438 30 HB2 CYS 5 HB2 CYS 5 -1.989 8.848 -1.871 31 HB3 CYS 5 HB1 CYS 5 -2.110 8.090 -3.474 32 H PHE 6 H PHE 6 -0.377 5.075 -1.948 33 HA PHE 6 HA PHE 6 -0.549 4.472 -4.788 34 HB2 PHE 6 HB2 PHE 6 1.822 4.159 -3.869 35 HB3 PHE 6 HB1 PHE 6 1.164 2.800 -2.955 36 HD1 PHE 6 HD1 PHE 6 1.299 4.178 -6.378 37 HD2 PHE 6 HD2 PHE 6 1.124 0.695 -3.953 38 HE1 PHE 6 HE1 PHE 6 1.520 2.821 -8.366 39 HE2 PHE 6 HE2 PHE 6 1.354 -0.712 -5.960 40 HZ PHE 6 HZ PHE 6 1.553 0.341 -8.182 41 H CYS 7 H CYS 7 -1.935 2.858 -5.283 42 HA CYS 7 HA CYS 7 -3.277 1.528 -3.037 43 HB2 CYS 7 HB2 CYS 7 -4.407 2.235 -5.732 44 HB3 CYS 7 HB1 CYS 7 -5.258 1.418 -4.443 45 H VAL 8 H VAL 8 -3.740 -0.581 -3.244 46 HA VAL 8 HA VAL 8 -2.890 -2.054 -5.639 47 HB VAL 8 HB VAL 8 -2.308 -3.020 -2.833 48 HG11 VAL 8 HG11 VAL 8 -0.841 -4.664 -3.899 49 HG12 VAL 8 HG12 VAL 8 -1.313 -4.036 -5.476 50 HG13 VAL 8 3HG1 VAL 8 -2.519 -4.791 -4.432 51 HG21 VAL 8 HG21 VAL 8 0.095 -2.564 -3.213 52 HG22 VAL 8 HG22 VAL 8 -0.874 -1.090 -3.148 53 HG23 VAL 8 HG23 VAL 8 -0.326 -1.719 -4.702 54 H GLU 9 H GLU 9 -4.167 -3.926 -5.885 55 HA GLU 9 HA GLU 9 -6.580 -3.922 -4.241 56 HB2 GLU 9 HB2 GLU 9 -6.685 -3.941 -6.790 57 HB3 GLU 9 HB1 GLU 9 -6.043 -5.575 -6.718 58 HG2 GLU 9 HG2 GLU 9 -7.965 -6.358 -5.562 59 HG3 GLU 9 HG1 GLU 9 -8.577 -4.719 -5.343 60 H ASP 10 H ASP 10 -6.381 -5.048 -2.482 61 HA ASP 10 HA ASP 10 -4.401 -7.182 -2.494 62 HB2 ASP 10 HB2 ASP 10 -3.891 -5.337 -1.002 63 HB3 ASP 10 HB1 ASP 10 -5.468 -5.536 -0.232 64 H GLU 11 H GLU 11 -5.043 -9.125 -2.350 65 HA GLU 11 HA GLU 11 -7.772 -9.816 -1.944 66 HB2 GLU 11 HB2 GLU 11 -5.340 -11.608 -2.075 67 HB3 GLU 11 HB1 GLU 11 -7.011 -12.138 -2.180 68 HG2 GLU 11 HG2 GLU 11 -5.562 -10.385 -4.150 69 HG3 GLU 11 HG1 GLU 11 -6.008 -12.076 -4.372 70 H THR 12 H THR 12 -4.962 -9.577 0.102 71 HA THR 12 HA THR 12 -5.918 -11.250 2.170 72 HB THR 12 HB THR 12 -3.880 -9.016 2.279 73 HG1 THR 12 HG1 THR 12 -3.879 -11.604 1.240 74 HG21 THR 12 HG21 THR 12 -4.240 -11.493 3.996 75 HG22 THR 12 HG22 THR 12 -4.597 -9.842 4.499 76 HG23 THR 12 HG23 THR 12 -2.934 -10.317 4.151 77 H SER 13 H SER 13 -5.981 -7.727 1.657 78 HA SER 13 HA SER 13 -7.568 -7.255 3.991 79 HB2 SER 13 HB2 SER 13 -7.157 -5.495 1.594 80 HB3 SER 13 HB1 SER 13 -7.712 -4.967 3.185 81 HG SER 13 HG SER 13 -5.186 -6.045 2.482 82 H GLY 14 H GLY 14 -8.144 -8.054 0.681 83 HA2 GLY 14 HA2 GLY 14 -10.095 -9.126 -0.017 84 HA3 GLY 14 HA1 GLY 14 -10.975 -8.362 1.305 85 H ALA 15 H ALA 15 -9.004 -6.123 -0.217 86 HA ALA 15 HA ALA 15 -10.699 -5.410 -2.357 87 HB1 ALA 15 HB1 ALA 15 -11.624 -3.349 -1.403 88 HB2 ALA 15 HB2 ALA 15 -10.938 -3.767 0.166 89 HB3 ALA 15 HB3 ALA 15 -12.208 -4.771 -0.537 90 H LYS 16 H LYS 16 -10.173 -3.044 -2.938 91 HA LYS 16 HA LYS 16 -7.358 -2.701 -3.149 92 HB2 LYS 16 HB2 LYS 16 -8.997 -1.893 -4.846 93 HB3 LYS 16 HB1 LYS 16 -9.584 -0.736 -3.662 94 HG2 LYS 16 HG2 LYS 16 -7.299 0.272 -3.610 95 HG3 LYS 16 HG1 LYS 16 -6.843 -0.813 -4.918 96 HD2 LYS 16 HD2 LYS 16 -7.426 1.331 -5.874 97 HD3 LYS 16 HD1 LYS 16 -8.672 0.162 -6.307 98 HE2 LYS 16 HE2 LYS 16 -10.067 1.026 -4.423 99 HE3 LYS 16 HE1 LYS 16 -8.825 2.231 -4.110 100 HZ1 LYS 16 HZ1 LYS 16 -10.342 1.973 -6.643 101 HZ2 LYS 16 HZ2 LYS 16 -9.255 3.211 -6.278 102 HZ3 LYS 16 HZ3 LYS 16 -10.686 3.060 -5.414 103 H THR 17 H THR 17 -6.072 -1.911 -1.725 104 HA THR 17 HA THR 17 -7.173 -0.013 0.166 105 HB THR 17 HB THR 17 -6.720 -2.161 1.327 106 HG1 THR 17 HG1 THR 17 -6.216 0.069 2.201 107 HG21 THR 17 HG21 THR 17 -3.851 -1.721 0.463 108 HG22 THR 17 HG22 THR 17 -4.908 -3.019 -0.088 109 HG23 THR 17 HG23 THR 17 -4.394 -2.957 1.598 110 H CYS 18 H CYS 18 -5.665 1.588 0.828 111 HA CYS 18 HA CYS 18 -3.470 1.939 -1.099 112 HB2 CYS 18 HB2 CYS 18 -5.340 4.156 -0.242 113 HB3 CYS 18 HB1 CYS 18 -4.065 4.233 -1.440 114 H VAL 19 H VAL 19 -2.028 3.722 -0.350 115 HA VAL 19 HA VAL 19 -2.132 4.244 2.529 116 HB VAL 19 HB VAL 19 0.425 3.603 0.993 117 HG11 VAL 19 HG11 VAL 19 1.519 3.675 3.178 118 HG12 VAL 19 HG12 VAL 19 -0.008 4.144 3.922 119 HG13 VAL 19 3HG1 VAL 19 0.776 5.222 2.765 120 HG21 VAL 19 HG21 VAL 19 0.598 1.583 2.391 121 HG22 VAL 19 HG22 VAL 19 -0.839 1.553 1.366 122 HG23 VAL 19 HG23 VAL 19 -0.986 1.938 3.079 123 HA PRO 20 HA PRO 20 -2.790 6.036 3.598 124 HB2 PRO 20 HB2 PRO 20 -4.590 8.007 3.161 125 HB3 PRO 20 HB1 PRO 20 -3.022 8.279 3.925 126 HG2 PRO 20 HG2 PRO 20 -3.823 8.634 1.052 127 HG3 PRO 20 HG1 PRO 20 -2.960 9.784 2.067 128 HD2 PRO 20 HD2 PRO 20 -1.625 8.273 0.351 129 HD3 PRO 20 HD1 PRO 20 -0.970 8.519 1.985 130 H ASP 21 H ASP 21 -4.895 5.302 3.919 131 HA ASP 21 HA ASP 21 -5.662 3.667 1.718 132 HB2 ASP 21 HB2 ASP 21 -5.700 2.814 4.037 133 HB3 ASP 21 HB1 ASP 21 -7.087 3.855 4.360 134 H ASN 22 H ASN 22 -7.336 3.650 0.425 135 HA ASN 22 HA ASN 22 -8.775 4.499 -0.954 136 HB2 ASN 22 HB2 ASN 22 -10.092 5.077 1.665 137 HB3 ASN 22 HB1 ASN 22 -10.817 5.552 0.128 138 HD21 ASN 22 HD21 ASN 22 -11.666 3.528 2.125 139 HD22 ASN 22 HD22 ASN 22 -11.831 2.069 1.241 140 H CYS 23 H CYS 23 -6.530 6.254 -0.355 141 HA CYS 23 HA CYS 23 -7.236 8.933 -0.559 142 HB2 CYS 23 HB2 CYS 23 -4.944 9.169 -1.476 143 HB3 CYS 23 HB1 CYS 23 -4.979 7.852 -0.330 144 H ASP 24 H ASP 24 -7.413 6.333 -2.710 145 HA ASP 24 HA ASP 24 -8.199 7.970 -4.993 146 HB2 ASP 24 HB2 ASP 24 -6.541 6.226 -5.484 147 HB3 ASP 24 HB1 ASP 24 -7.592 5.004 -4.789 148 H ALA 25 H ALA 25 -9.944 8.584 -3.919 149 HA ALA 25 HA ALA 25 -12.421 7.511 -4.531 150 HB1 ALA 25 HB1 ALA 25 -13.281 6.895 -2.276 151 HB2 ALA 25 HB2 ALA 25 -11.648 7.064 -1.628 152 HB3 ALA 25 HB3 ALA 25 -12.004 5.795 -2.797 153 H SER 26 H SER 26 -10.498 9.200 -2.317 154 HA SER 26 HA SER 26 -12.327 11.474 -2.237 155 HB2 SER 26 HB2 SER 26 -10.791 12.168 -0.371 156 HB3 SER 26 HB1 SER 26 -11.644 10.657 -0.071 157 HG SER 26 HG SER 26 -9.516 10.420 0.457 158 H ARG 27 H ARG 27 -10.534 13.556 -1.874 159 HA ARG 27 HA ARG 27 -9.024 13.440 -4.372 160 HB2 ARG 27 HB2 ARG 27 -9.071 15.851 -4.437 161 HB3 ARG 27 HB1 ARG 27 -10.698 15.239 -4.245 162 HG2 ARG 27 HG2 ARG 27 -10.616 15.819 -1.859 163 HG3 ARG 27 HG1 ARG 27 -8.976 16.447 -2.084 164 HD2 ARG 27 HD2 ARG 27 -9.908 17.951 -3.849 165 HD3 ARG 27 HD1 ARG 27 -11.510 17.424 -3.353 166 HE ARG 27 HE ARG 27 -10.409 18.286 -1.058 167 HH11 ARG 27 HH11 ARG 27 -10.858 19.718 -4.274 168 HH12 ARG 27 HH12 ARG 27 -10.888 21.322 -3.728 169 HH21 ARG 27 HH21 ARG 27 -10.426 20.538 -0.298 170 HH22 ARG 27 HH22 ARG 27 -10.653 21.801 -1.406 171 H GLY 28 H GLY 28 -8.320 12.582 -1.532 172 HA2 GLY 28 HA2 GLY 28 -5.915 14.200 -1.145 173 HA3 GLY 28 HA1 GLY 28 -6.558 13.009 -0.015 174 H THR 29 H THR 29 -5.854 12.785 -3.475 175 HA THR 29 HA THR 29 -4.545 10.255 -3.024 176 HB THR 29 HB THR 29 -4.751 11.654 -5.690 177 HG1 THR 29 HG1 THR 29 -6.834 10.327 -4.207 178 HG21 THR 29 HG21 THR 29 -4.984 9.357 -6.498 179 HG22 THR 29 HG22 THR 29 -5.015 8.762 -4.840 180 HG23 THR 29 HG23 THR 29 -3.544 9.487 -5.484 181 H ASN 30 H ASN 30 -3.696 13.338 -4.630 182 HA ASN 30 HA ASN 30 -0.890 12.677 -4.186 183 HB2 ASN 30 HB2 ASN 30 -0.315 14.306 -5.953 184 HB3 ASN 30 HB1 ASN 30 -1.420 13.093 -6.569 185 HD21 ASN 30 HD21 ASN 30 -0.973 16.451 -5.839 186 HD22 ASN 30 HD22 ASN 30 -2.449 16.990 -6.538 187 HA PRO 31 HA PRO 31 -0.729 16.096 -1.321 188 HB2 PRO 31 HB2 PRO 31 2.136 16.328 -1.723 189 HB3 PRO 31 HB1 PRO 31 1.283 15.660 -0.333 190 HG2 PRO 31 HG2 PRO 31 2.771 14.137 -2.032 191 HG3 PRO 31 HG1 PRO 31 1.371 13.519 -1.145 192 HD2 PRO 31 HD2 PRO 31 1.561 14.424 -3.987 193 HD3 PRO 31 HD1 PRO 31 0.740 13.007 -3.292 Start of MODEL 2 1 H1 ASP 1 HT1 ASP 1 -1.895 13.509 6.183 2 H2 ASP 1 HT2 ASP 1 -1.739 12.989 4.582 3 H3 ASP 1 HT3 ASP 1 -1.037 14.417 5.058 4 HA ASP 1 HA ASP 1 0.496 13.299 6.490 5 HB2 ASP 1 HB2 ASP 1 -0.860 10.811 5.417 6 HB3 ASP 1 HB1 ASP 1 0.668 10.809 6.290 7 H VAL 2 H VAL 2 2.529 12.889 5.623 8 HA VAL 2 HA VAL 2 2.648 13.430 2.800 9 HB VAL 2 HB VAL 2 4.923 13.117 4.789 10 HG11 VAL 2 HG11 VAL 2 6.280 14.296 3.110 11 HG12 VAL 2 HG12 VAL 2 4.907 14.283 2.002 12 HG13 VAL 2 3HG1 VAL 2 5.657 12.765 2.495 13 HG21 VAL 2 HG21 VAL 2 3.590 15.628 3.764 14 HG22 VAL 2 HG22 VAL 2 5.018 15.574 4.798 15 HG23 VAL 2 HG23 VAL 2 3.469 14.979 5.397 16 H SER 3 H SER 3 1.981 11.600 1.850 17 HA SER 3 HA SER 3 3.931 9.486 1.617 18 HB2 SER 3 HB2 SER 3 1.065 8.920 2.439 19 HB3 SER 3 HB1 SER 3 2.266 7.704 2.004 20 HG SER 3 HG SER 3 3.207 9.396 3.866 21 HA PRO 4 HA PRO 4 2.410 10.147 -2.595 22 HB2 PRO 4 HB2 PRO 4 3.757 7.542 -3.062 23 HB3 PRO 4 HB1 PRO 4 3.997 9.082 -3.893 24 HG2 PRO 4 HG2 PRO 4 5.827 8.158 -2.192 25 HG3 PRO 4 HG1 PRO 4 5.439 9.887 -2.266 26 HD2 PRO 4 HD2 PRO 4 4.585 7.839 -0.256 27 HD3 PRO 4 HD1 PRO 4 5.085 9.530 -0.021 28 H CYS 5 H CYS 5 0.520 9.525 -3.427 29 HA CYS 5 HA CYS 5 -0.951 7.467 -2.112 30 HB2 CYS 5 HB2 CYS 5 -2.078 9.530 -2.675 31 HB3 CYS 5 HB1 CYS 5 -1.675 9.324 -4.372 32 H PHE 6 H PHE 6 -0.562 5.473 -2.577 33 HA PHE 6 HA PHE 6 -0.842 4.627 -5.365 34 HB2 PHE 6 HB2 PHE 6 0.864 2.854 -5.075 35 HB3 PHE 6 HB1 PHE 6 1.567 4.446 -4.871 36 HD1 PHE 6 HD1 PHE 6 2.341 5.177 -2.672 37 HD2 PHE 6 HD2 PHE 6 0.746 1.278 -3.253 38 HE1 PHE 6 HE1 PHE 6 3.313 4.471 -0.537 39 HE2 PHE 6 HE2 PHE 6 1.713 0.558 -1.110 40 HZ PHE 6 HZ PHE 6 3.001 2.155 0.254 41 H CYS 7 H CYS 7 -1.732 2.436 -5.587 42 HA CYS 7 HA CYS 7 -3.112 1.495 -3.150 43 HB2 CYS 7 HB2 CYS 7 -4.403 1.730 -5.845 44 HB3 CYS 7 HB1 CYS 7 -5.148 1.260 -4.336 45 H VAL 8 H VAL 8 -3.426 -0.562 -2.943 46 HA VAL 8 HA VAL 8 -2.516 -2.313 -5.038 47 HB VAL 8 HB VAL 8 -1.708 -3.667 -3.080 48 HG11 VAL 8 HG11 VAL 8 -0.142 -2.673 -4.716 49 HG12 VAL 8 HG12 VAL 8 0.559 -2.535 -3.103 50 HG13 VAL 8 3HG1 VAL 8 -0.207 -1.136 -3.856 51 HG21 VAL 8 HG21 VAL 8 -0.837 -2.397 -1.124 52 HG22 VAL 8 HG22 VAL 8 -2.596 -2.388 -1.251 53 HG23 VAL 8 HG23 VAL 8 -1.671 -0.971 -1.742 54 H GLU 9 H GLU 9 -3.744 -4.198 -5.152 55 HA GLU 9 HA GLU 9 -6.111 -4.215 -3.454 56 HB2 GLU 9 HB2 GLU 9 -6.530 -4.304 -5.888 57 HB3 GLU 9 HB1 GLU 9 -5.600 -5.798 -5.978 58 HG2 GLU 9 HG2 GLU 9 -7.181 -6.895 -4.487 59 HG3 GLU 9 HG1 GLU 9 -8.106 -5.407 -4.352 60 H ASP 10 H ASP 10 -5.804 -5.263 -1.677 61 HA ASP 10 HA ASP 10 -4.109 -7.611 -1.693 62 HB2 ASP 10 HB2 ASP 10 -3.860 -6.160 0.248 63 HB3 ASP 10 HB1 ASP 10 -5.593 -6.287 0.564 64 H GLU 11 H GLU 11 -4.912 -9.380 -2.360 65 HA GLU 11 HA GLU 11 -7.693 -9.880 -2.494 66 HB2 GLU 11 HB2 GLU 11 -5.342 -11.720 -2.906 67 HB3 GLU 11 HB1 GLU 11 -7.008 -12.132 -3.277 68 HG2 GLU 11 HG2 GLU 11 -7.086 -10.325 -4.927 69 HG3 GLU 11 HG1 GLU 11 -5.418 -9.909 -4.551 70 H THR 12 H THR 12 -5.308 -10.402 -0.057 71 HA THR 12 HA THR 12 -6.434 -12.604 1.289 72 HB THR 12 HB THR 12 -5.045 -10.344 2.717 73 HG1 THR 12 HG1 THR 12 -3.674 -10.478 1.130 74 HG21 THR 12 HG21 THR 12 -5.744 -12.325 4.001 75 HG22 THR 12 HG22 THR 12 -3.985 -12.213 3.926 76 HG23 THR 12 HG23 THR 12 -4.841 -13.361 2.897 77 H SER 13 H SER 13 -6.690 -9.087 1.900 78 HA SER 13 HA SER 13 -8.913 -9.377 3.680 79 HB2 SER 13 HB2 SER 13 -7.930 -6.928 2.262 80 HB3 SER 13 HB1 SER 13 -8.853 -6.983 3.765 81 HG SER 13 HG SER 13 -6.164 -7.677 3.274 82 H GLY 14 H GLY 14 -8.444 -9.073 0.286 83 HA2 GLY 14 HA2 GLY 14 -9.942 -9.293 -1.449 84 HA3 GLY 14 HA1 GLY 14 -11.253 -9.361 -0.277 85 H ALA 15 H ALA 15 -8.947 -6.795 -0.190 86 HA ALA 15 HA ALA 15 -10.794 -4.972 -1.463 87 HB1 ALA 15 HB1 ALA 15 -10.022 -4.687 1.432 88 HB2 ALA 15 HB2 ALA 15 -11.621 -5.118 0.827 89 HB3 ALA 15 HB3 ALA 15 -10.947 -3.523 0.484 90 H LYS 16 H LYS 16 -9.781 -3.304 -2.335 91 HA LYS 16 HA LYS 16 -6.946 -3.131 -2.284 92 HB2 LYS 16 HB2 LYS 16 -8.205 -2.700 -4.312 93 HB3 LYS 16 HB1 LYS 16 -9.116 -1.444 -3.490 94 HG2 LYS 16 HG2 LYS 16 -7.061 -0.123 -3.286 95 HG3 LYS 16 HG1 LYS 16 -6.185 -1.382 -4.145 96 HD2 LYS 16 HD2 LYS 16 -6.830 0.458 -5.654 97 HD3 LYS 16 HD1 LYS 16 -7.565 -1.078 -6.110 98 HE2 LYS 16 HE2 LYS 16 -9.674 -0.397 -5.072 99 HE3 LYS 16 HE1 LYS 16 -8.938 1.113 -4.538 100 HZ1 LYS 16 HZ1 LYS 16 -8.663 1.747 -6.824 101 HZ2 LYS 16 HZ2 LYS 16 -10.281 1.348 -6.562 102 HZ3 LYS 16 HZ3 LYS 16 -9.269 0.276 -7.365 103 H THR 17 H THR 17 -5.701 -1.692 -1.338 104 HA THR 17 HA THR 17 -6.964 0.320 0.321 105 HB THR 17 HB THR 17 -4.641 -1.465 1.149 106 HG1 THR 17 HG1 THR 17 -7.399 -1.418 1.666 107 HG21 THR 17 HG21 THR 17 -4.871 -0.368 3.343 108 HG22 THR 17 HG22 THR 17 -6.158 0.654 2.705 109 HG23 THR 17 HG23 THR 17 -4.513 0.826 2.095 110 H CYS 18 H CYS 18 -5.879 2.237 0.317 111 HA CYS 18 HA CYS 18 -3.560 2.427 -1.445 112 HB2 CYS 18 HB2 CYS 18 -5.537 4.583 -0.733 113 HB3 CYS 18 HB1 CYS 18 -4.234 4.686 -1.886 114 H VAL 19 H VAL 19 -2.146 4.122 -0.841 115 HA VAL 19 HA VAL 19 -2.157 4.739 2.018 116 HB VAL 19 HB VAL 19 0.302 4.161 0.307 117 HG11 VAL 19 HG11 VAL 19 0.113 4.831 3.243 118 HG12 VAL 19 HG12 VAL 19 0.737 5.887 1.978 119 HG13 VAL 19 3HG1 VAL 19 1.588 4.394 2.380 120 HG21 VAL 19 HG21 VAL 19 -0.888 2.107 0.890 121 HG22 VAL 19 HG22 VAL 19 -0.872 2.569 2.592 122 HG23 VAL 19 HG23 VAL 19 0.642 2.209 1.763 123 HA PRO 20 HA PRO 20 -2.340 6.302 3.225 124 HB2 PRO 20 HB2 PRO 20 -3.886 8.464 3.662 125 HB3 PRO 20 HB1 PRO 20 -2.127 8.527 3.836 126 HG2 PRO 20 HG2 PRO 20 -3.838 9.399 1.554 127 HG3 PRO 20 HG1 PRO 20 -2.477 10.242 2.285 128 HD2 PRO 20 HD2 PRO 20 -2.225 8.818 -0.010 129 HD3 PRO 20 HD1 PRO 20 -0.903 8.970 1.162 130 H ASP 21 H ASP 21 -4.548 6.087 4.136 131 HA ASP 21 HA ASP 21 -6.153 4.425 2.631 132 HB2 ASP 21 HB2 ASP 21 -6.188 4.415 5.065 133 HB3 ASP 21 HB1 ASP 21 -6.850 6.046 5.056 134 H ASN 22 H ASN 22 -7.574 4.709 1.153 135 HA ASN 22 HA ASN 22 -8.946 5.537 -0.359 136 HB2 ASN 22 HB2 ASN 22 -9.951 6.901 2.113 137 HB3 ASN 22 HB1 ASN 22 -10.685 7.139 0.529 138 HD21 ASN 22 HD21 ASN 22 -10.096 4.835 3.098 139 HD22 ASN 22 HD22 ASN 22 -11.258 3.682 2.562 140 H CYS 23 H CYS 23 -6.340 7.054 -0.092 141 HA CYS 23 HA CYS 23 -6.845 9.739 -0.636 142 HB2 CYS 23 HB2 CYS 23 -4.621 9.742 -1.792 143 HB3 CYS 23 HB1 CYS 23 -4.587 9.032 -0.185 144 H ASP 24 H ASP 24 -7.063 6.999 -2.620 145 HA ASP 24 HA ASP 24 -7.685 8.690 -4.897 146 HB2 ASP 24 HB2 ASP 24 -6.089 7.020 -5.499 147 HB3 ASP 24 HB1 ASP 24 -7.105 5.736 -4.854 148 H ALA 25 H ALA 25 -9.505 9.315 -3.847 149 HA ALA 25 HA ALA 25 -11.768 7.768 -4.896 150 HB1 ALA 25 HB1 ALA 25 -11.744 9.328 -2.292 151 HB2 ALA 25 HB2 ALA 25 -11.804 7.572 -2.429 152 HB3 ALA 25 HB3 ALA 25 -13.157 8.549 -3.003 153 H SER 26 H SER 26 -9.859 10.115 -5.411 154 HA SER 26 HA SER 26 -11.839 12.147 -6.091 155 HB2 SER 26 HB2 SER 26 -8.933 12.568 -5.387 156 HB3 SER 26 HB1 SER 26 -10.188 13.800 -5.552 157 HG SER 26 HG SER 26 -11.052 13.209 -3.650 158 H ARG 27 H ARG 27 -12.009 12.059 -8.261 159 HA ARG 27 HA ARG 27 -9.619 11.508 -9.858 160 HB2 ARG 27 HB2 ARG 27 -11.384 9.705 -9.835 161 HB3 ARG 27 HB1 ARG 27 -12.499 10.868 -10.520 162 HG2 ARG 27 HG2 ARG 27 -11.657 9.364 -12.211 163 HG3 ARG 27 HG1 ARG 27 -11.106 11.011 -12.516 164 HD2 ARG 27 HD2 ARG 27 -9.357 9.273 -12.860 165 HD3 ARG 27 HD1 ARG 27 -8.923 10.507 -11.685 166 HE ARG 27 HE ARG 27 -9.706 8.789 -9.988 167 HH11 ARG 27 HH11 ARG 27 -8.295 7.799 -13.099 168 HH12 ARG 27 HH12 ARG 27 -7.480 6.458 -12.461 169 HH21 ARG 27 HH21 ARG 27 -8.556 6.915 -9.099 170 HH22 ARG 27 HH22 ARG 27 -7.686 5.918 -10.155 171 H GLY 28 H GLY 28 -9.056 13.554 -10.367 172 HA2 GLY 28 HA2 GLY 28 -11.179 15.337 -11.343 173 HA3 GLY 28 HA1 GLY 28 -9.662 15.885 -10.637 174 H THR 29 H THR 29 -7.700 15.091 -11.810 175 HA THR 29 HA THR 29 -7.925 14.532 -14.577 176 HB THR 29 HB THR 29 -8.479 16.944 -14.652 177 HG1 THR 29 HG1 THR 29 -7.386 16.509 -16.399 178 HG21 THR 29 HG21 THR 29 -5.823 17.377 -13.273 179 HG22 THR 29 HG22 THR 29 -7.415 17.677 -12.576 180 HG23 THR 29 HG23 THR 29 -6.849 18.650 -13.934 181 H ASN 30 H ASN 30 -5.707 14.357 -15.489 182 HA ASN 30 HA ASN 30 -3.852 13.518 -13.402 183 HB2 ASN 30 HB2 ASN 30 -4.281 11.894 -15.176 184 HB3 ASN 30 HB1 ASN 30 -3.803 13.067 -16.395 185 HD21 ASN 30 HD21 ASN 30 -2.167 12.431 -13.298 186 HD22 ASN 30 HD22 ASN 30 -0.702 11.899 -14.035 187 HA PRO 31 HA PRO 31 -1.796 17.440 -14.340 188 HB2 PRO 31 HB2 PRO 31 -0.304 16.939 -11.877 189 HB3 PRO 31 HB1 PRO 31 -1.447 18.241 -12.224 190 HG2 PRO 31 HG2 PRO 31 -1.983 16.255 -10.469 191 HG3 PRO 31 HG1 PRO 31 -3.243 17.032 -11.444 192 HD2 PRO 31 HD2 PRO 31 -1.853 14.414 -11.891 193 HD3 PRO 31 HD1 PRO 31 -3.578 14.836 -12.017 Start of MODEL 3 1 H1 ASP 1 HT1 ASP 1 6.877 14.416 5.240 2 H2 ASP 1 HT2 ASP 1 6.486 13.002 4.355 3 H3 ASP 1 HT3 ASP 1 5.645 13.386 5.744 4 HA ASP 1 HA ASP 1 4.653 15.270 4.789 5 HB2 ASP 1 HB2 ASP 1 6.676 15.748 3.276 6 HB3 ASP 1 HB1 ASP 1 6.085 14.478 2.216 7 H VAL 2 H VAL 2 3.255 14.791 2.374 8 HA VAL 2 HA VAL 2 1.780 12.455 3.171 9 HB VAL 2 HB VAL 2 1.335 14.344 0.833 10 HG11 VAL 2 HG11 VAL 2 0.217 12.200 0.531 11 HG12 VAL 2 HG12 VAL 2 -0.963 13.475 0.832 12 HG13 VAL 2 3HG1 VAL 2 -0.532 12.352 2.121 13 HG21 VAL 2 HG21 VAL 2 1.226 15.572 2.924 14 HG22 VAL 2 HG22 VAL 2 0.113 14.378 3.590 15 HG23 VAL 2 HG23 VAL 2 -0.394 15.397 2.243 16 H SER 3 H SER 3 2.195 10.550 2.359 17 HA SER 3 HA SER 3 4.261 10.081 0.513 18 HB2 SER 3 HB2 SER 3 2.084 8.237 1.477 19 HB3 SER 3 HB1 SER 3 3.639 7.766 0.790 20 HG SER 3 HG SER 3 4.470 9.171 2.613 21 HA PRO 4 HA PRO 4 1.972 10.137 -3.395 22 HB2 PRO 4 HB2 PRO 4 3.678 7.762 -3.969 23 HB3 PRO 4 HB1 PRO 4 3.436 9.225 -4.934 24 HG2 PRO 4 HG2 PRO 4 5.712 8.859 -3.599 25 HG3 PRO 4 HG1 PRO 4 4.953 10.459 -3.680 26 HD2 PRO 4 HD2 PRO 4 4.975 8.485 -1.444 27 HD3 PRO 4 HD1 PRO 4 5.096 10.259 -1.392 28 H CYS 5 H CYS 5 0.081 9.134 -3.701 29 HA CYS 5 HA CYS 5 -0.560 7.019 -1.895 30 HB2 CYS 5 HB2 CYS 5 -2.216 8.808 -2.495 31 HB3 CYS 5 HB1 CYS 5 -2.265 8.029 -4.095 32 H PHE 6 H PHE 6 -0.382 4.982 -2.266 33 HA PHE 6 HA PHE 6 -0.633 4.146 -5.032 34 HB2 PHE 6 HB2 PHE 6 1.734 3.987 -3.999 35 HB3 PHE 6 HB1 PHE 6 1.071 2.655 -3.049 36 HD1 PHE 6 HD1 PHE 6 1.252 3.884 -6.522 37 HD2 PHE 6 HD2 PHE 6 1.165 0.510 -3.944 38 HE1 PHE 6 HE1 PHE 6 1.571 2.457 -8.440 39 HE2 PHE 6 HE2 PHE 6 1.497 -0.975 -5.878 40 HZ PHE 6 HZ PHE 6 1.704 -0.015 -8.144 41 H CYS 7 H CYS 7 -2.122 2.672 -5.351 42 HA CYS 7 HA CYS 7 -3.362 1.444 -3.003 43 HB2 CYS 7 HB2 CYS 7 -4.590 2.129 -5.665 44 HB3 CYS 7 HB1 CYS 7 -5.406 1.298 -4.354 45 H VAL 8 H VAL 8 -3.966 -0.662 -3.154 46 HA VAL 8 HA VAL 8 -3.066 -2.241 -5.434 47 HB VAL 8 HB VAL 8 -2.380 -3.027 -2.598 48 HG11 VAL 8 HG11 VAL 8 -0.868 -4.659 -3.617 49 HG12 VAL 8 HG12 VAL 8 -1.392 -4.118 -5.211 50 HG13 VAL 8 3HG1 VAL 8 -2.550 -4.868 -4.110 51 HG21 VAL 8 HG21 VAL 8 -0.464 -1.749 -4.554 52 HG22 VAL 8 HG22 VAL 8 -0.002 -2.492 -3.023 53 HG23 VAL 8 HG23 VAL 8 -1.023 -1.053 -3.033 54 H GLU 9 H GLU 9 -4.325 -4.131 -5.510 55 HA GLU 9 HA GLU 9 -6.663 -4.083 -3.788 56 HB2 GLU 9 HB2 GLU 9 -6.867 -4.508 -6.268 57 HB3 GLU 9 HB1 GLU 9 -5.978 -6.004 -6.031 58 HG2 GLU 9 HG2 GLU 9 -7.744 -6.847 -4.590 59 HG3 GLU 9 HG1 GLU 9 -8.630 -5.334 -4.774 60 H ASP 10 H ASP 10 -6.316 -4.922 -1.871 61 HA ASP 10 HA ASP 10 -4.113 -6.673 -1.404 62 HB2 ASP 10 HB2 ASP 10 -4.715 -4.916 0.210 63 HB3 ASP 10 HB1 ASP 10 -6.270 -5.699 0.472 64 H GLU 11 H GLU 11 -4.236 -8.680 -1.766 65 HA GLU 11 HA GLU 11 -6.620 -10.087 -2.302 66 HB2 GLU 11 HB2 GLU 11 -5.114 -12.056 -2.524 67 HB3 GLU 11 HB1 GLU 11 -4.632 -10.618 -3.422 68 HG2 GLU 11 HG2 GLU 11 -2.963 -10.093 -1.743 69 HG3 GLU 11 HG1 GLU 11 -3.422 -11.527 -0.828 70 H THR 12 H THR 12 -4.965 -9.514 0.602 71 HA THR 12 HA THR 12 -5.895 -11.845 1.988 72 HB THR 12 HB THR 12 -4.849 -9.244 3.133 73 HG1 THR 12 HG1 THR 12 -3.035 -9.782 2.262 74 HG21 THR 12 HG21 THR 12 -5.835 -10.806 4.773 75 HG22 THR 12 HG22 THR 12 -4.090 -10.667 4.987 76 HG23 THR 12 HG23 THR 12 -4.769 -12.083 4.190 77 H SER 13 H SER 13 -6.804 -8.483 1.703 78 HA SER 13 HA SER 13 -9.134 -8.781 3.401 79 HB2 SER 13 HB2 SER 13 -8.289 -6.487 1.680 80 HB3 SER 13 HB1 SER 13 -9.426 -6.426 3.028 81 HG SER 13 HG SER 13 -6.666 -7.104 3.182 82 H GLY 14 H GLY 14 -8.341 -8.767 0.010 83 HA2 GLY 14 HA2 GLY 14 -9.618 -9.380 -1.801 84 HA3 GLY 14 HA1 GLY 14 -11.007 -9.565 -0.728 85 H ALA 15 H ALA 15 -9.035 -6.702 -0.761 86 HA ALA 15 HA ALA 15 -10.825 -5.174 -2.372 87 HB1 ALA 15 HB1 ALA 15 -12.134 -5.345 -0.304 88 HB2 ALA 15 HB2 ALA 15 -11.593 -3.694 -0.599 89 HB3 ALA 15 HB3 ALA 15 -10.774 -4.687 0.609 90 H LYS 16 H LYS 16 -10.122 -2.899 -2.415 91 HA LYS 16 HA LYS 16 -7.302 -2.720 -2.623 92 HB2 LYS 16 HB2 LYS 16 -9.515 -0.730 -2.958 93 HB3 LYS 16 HB1 LYS 16 -7.820 -0.313 -3.151 94 HG2 LYS 16 HG2 LYS 16 -7.574 -1.578 -5.040 95 HG3 LYS 16 HG1 LYS 16 -8.958 -2.599 -4.697 96 HD2 LYS 16 HD2 LYS 16 -9.487 -1.068 -6.531 97 HD3 LYS 16 HD1 LYS 16 -10.435 -0.635 -5.117 98 HE2 LYS 16 HE2 LYS 16 -8.767 1.112 -4.578 99 HE3 LYS 16 HE1 LYS 16 -7.912 0.717 -6.067 100 HZ1 LYS 16 HZ1 LYS 16 -10.696 1.699 -5.870 101 HZ2 LYS 16 HZ2 LYS 16 -9.894 1.353 -7.316 102 HZ3 LYS 16 HZ3 LYS 16 -9.367 2.614 -6.336 103 H THR 17 H THR 17 -5.869 -1.719 -1.512 104 HA THR 17 HA THR 17 -6.643 -0.235 0.861 105 HB THR 17 HB THR 17 -5.741 -2.437 1.547 106 HG1 THR 17 HG1 THR 17 -5.098 -0.325 2.592 107 HG21 THR 17 HG21 THR 17 -3.415 -3.091 1.065 108 HG22 THR 17 HG22 THR 17 -3.228 -1.659 0.054 109 HG23 THR 17 HG23 THR 17 -4.350 -2.930 -0.428 110 H CYS 18 H CYS 18 -5.365 1.595 1.126 111 HA CYS 18 HA CYS 18 -3.432 2.127 -1.011 112 HB2 CYS 18 HB2 CYS 18 -5.502 4.123 -0.101 113 HB3 CYS 18 HB1 CYS 18 -4.276 4.359 -1.318 114 H VAL 19 H VAL 19 -2.119 3.939 -0.537 115 HA VAL 19 HA VAL 19 -1.978 4.736 2.227 116 HB VAL 19 HB VAL 19 -0.451 2.868 2.112 117 HG11 VAL 19 HG11 VAL 19 0.937 4.209 -0.196 118 HG12 VAL 19 HG12 VAL 19 -0.039 2.744 -0.260 119 HG13 VAL 19 3HG1 VAL 19 1.484 2.744 0.625 120 HG21 VAL 19 HG21 VAL 19 0.287 4.699 3.508 121 HG22 VAL 19 HG22 VAL 19 1.079 5.467 2.133 122 HG23 VAL 19 HG23 VAL 19 1.686 3.932 2.757 123 HA PRO 20 HA PRO 20 -2.420 6.510 3.157 124 HB2 PRO 20 HB2 PRO 20 -4.086 8.594 2.876 125 HB3 PRO 20 HB1 PRO 20 -2.415 8.767 3.425 126 HG2 PRO 20 HG2 PRO 20 -3.570 9.154 0.684 127 HG3 PRO 20 HG1 PRO 20 -2.457 10.216 1.544 128 HD2 PRO 20 HD2 PRO 20 -1.583 8.512 -0.331 129 HD3 PRO 20 HD1 PRO 20 -0.625 8.832 1.129 130 H ASP 21 H ASP 21 -4.400 5.900 3.750 131 HA ASP 21 HA ASP 21 -5.840 4.261 1.967 132 HB2 ASP 21 HB2 ASP 21 -5.746 3.691 4.308 133 HB3 ASP 21 HB1 ASP 21 -6.527 5.209 4.738 134 H ASN 22 H ASN 22 -7.562 4.581 0.760 135 HA ASN 22 HA ASN 22 -9.018 5.600 -0.465 136 HB2 ASN 22 HB2 ASN 22 -9.886 6.404 2.265 137 HB3 ASN 22 HB1 ASN 22 -10.744 6.960 0.828 138 HD21 ASN 22 HD21 ASN 22 -11.557 5.152 2.954 139 HD22 ASN 22 HD22 ASN 22 -12.047 3.683 2.184 140 H CYS 23 H CYS 23 -6.544 6.997 -0.396 141 HA CYS 23 HA CYS 23 -6.830 9.749 -0.426 142 HB2 CYS 23 HB2 CYS 23 -4.931 9.719 -1.993 143 HB3 CYS 23 HB1 CYS 23 -4.728 8.479 -0.767 144 H ASP 24 H ASP 24 -7.808 7.373 -2.641 145 HA ASP 24 HA ASP 24 -8.999 9.300 -4.486 146 HB2 ASP 24 HB2 ASP 24 -7.467 7.670 -5.539 147 HB3 ASP 24 HB1 ASP 24 -8.390 6.344 -4.862 148 H ALA 25 H ALA 25 -10.622 9.671 -2.974 149 HA ALA 25 HA ALA 25 -12.587 7.482 -2.809 150 HB1 ALA 25 HB1 ALA 25 -13.504 8.473 -0.797 151 HB2 ALA 25 HB2 ALA 25 -12.409 9.843 -0.943 152 HB3 ALA 25 HB3 ALA 25 -11.765 8.236 -0.610 153 H SER 26 H SER 26 -12.005 10.327 -4.355 154 HA SER 26 HA SER 26 -14.808 10.515 -5.101 155 HB2 SER 26 HB2 SER 26 -12.988 12.875 -4.543 156 HB3 SER 26 HB1 SER 26 -14.636 12.970 -5.168 157 HG SER 26 HG SER 26 -13.748 12.084 -2.647 158 H ARG 27 H ARG 27 -15.114 10.878 -7.274 159 HA ARG 27 HA ARG 27 -12.746 10.485 -8.891 160 HB2 ARG 27 HB2 ARG 27 -14.739 9.048 -9.244 161 HB3 ARG 27 HB1 ARG 27 -15.657 10.479 -9.689 162 HG2 ARG 27 HG2 ARG 27 -14.934 9.182 -11.652 163 HG3 ARG 27 HG1 ARG 27 -14.262 10.816 -11.630 164 HD2 ARG 27 HD2 ARG 27 -12.624 9.040 -12.279 165 HD3 ARG 27 HD1 ARG 27 -12.130 10.009 -10.890 166 HE ARG 27 HE ARG 27 -13.403 7.378 -10.612 167 HH11 ARG 27 HH11 ARG 27 -10.690 9.568 -9.853 168 HH12 ARG 27 HH12 ARG 27 -10.093 8.559 -8.615 169 HH21 ARG 27 HH21 ARG 27 -12.510 6.043 -8.903 170 HH22 ARG 27 HH22 ARG 27 -11.102 6.572 -8.073 171 H GLY 28 H GLY 28 -11.732 12.239 -9.412 172 HA2 GLY 28 HA2 GLY 28 -12.756 14.833 -9.499 173 HA3 GLY 28 HA1 GLY 28 -11.256 14.297 -10.250 174 H THR 29 H THR 29 -13.672 16.009 -11.035 175 HA THR 29 HA THR 29 -14.854 14.635 -13.212 176 HB THR 29 HB THR 29 -14.825 17.614 -12.671 177 HG1 THR 29 HG1 THR 29 -16.288 15.440 -11.601 178 HG21 THR 29 HG21 THR 29 -15.717 16.875 -14.862 179 HG22 THR 29 HG22 THR 29 -16.963 17.560 -13.822 180 HG23 THR 29 HG23 THR 29 -16.845 15.811 -14.020 181 H ASN 30 H ASN 30 -12.063 16.678 -12.805 182 HA ASN 30 HA ASN 30 -11.664 16.718 -15.696 183 HB2 ASN 30 HB2 ASN 30 -10.244 18.231 -13.494 184 HB3 ASN 30 HB1 ASN 30 -9.776 18.288 -15.187 185 HD21 ASN 30 HD21 ASN 30 -10.634 20.443 -13.500 186 HD22 ASN 30 HD22 ASN 30 -12.035 21.132 -14.236 187 HA PRO 31 HA PRO 31 -8.743 13.444 -14.726 188 HB2 PRO 31 HB2 PRO 31 -8.805 12.523 -17.400 189 HB3 PRO 31 HB1 PRO 31 -9.697 11.859 -16.033 190 HG2 PRO 31 HG2 PRO 31 -10.802 13.163 -18.250 191 HG3 PRO 31 HG1 PRO 31 -11.635 12.807 -16.729 192 HD2 PRO 31 HD2 PRO 31 -10.404 15.346 -17.677 193 HD3 PRO 31 HD1 PRO 31 -11.829 15.068 -16.644 Start of MODEL 4 1 H1 ASP 1 HT1 ASP 1 6.202 9.047 8.109 2 H2 ASP 1 HT2 ASP 1 6.939 7.579 8.526 3 H3 ASP 1 HT3 ASP 1 5.429 7.606 7.735 4 HA ASP 1 HA ASP 1 7.908 8.653 6.569 5 HB2 ASP 1 HB2 ASP 1 6.459 6.041 6.037 6 HB3 ASP 1 HB1 ASP 1 7.769 6.679 5.054 7 H VAL 2 H VAL 2 7.573 9.029 4.243 8 HA VAL 2 HA VAL 2 4.968 10.157 3.833 9 HB VAL 2 HB VAL 2 5.846 10.990 1.680 10 HG11 VAL 2 HG11 VAL 2 7.479 12.556 2.626 11 HG12 VAL 2 HG12 VAL 2 7.576 11.547 4.073 12 HG13 VAL 2 3HG1 VAL 2 6.063 12.344 3.651 13 HG21 VAL 2 HG21 VAL 2 8.430 9.659 2.515 14 HG22 VAL 2 HG22 VAL 2 8.227 10.735 1.133 15 HG23 VAL 2 HG23 VAL 2 7.405 9.178 1.166 16 H SER 3 H SER 3 3.517 9.575 2.229 17 HA SER 3 HA SER 3 4.056 7.106 0.829 18 HB2 SER 3 HB2 SER 3 1.656 7.597 2.595 19 HB3 SER 3 HB1 SER 3 1.829 6.242 1.475 20 HG SER 3 HG SER 3 3.824 5.814 2.614 21 HA PRO 4 HA PRO 4 2.115 9.782 -2.328 22 HB2 PRO 4 HB2 PRO 4 3.079 7.460 -3.910 23 HB3 PRO 4 HB1 PRO 4 3.327 9.174 -4.231 24 HG2 PRO 4 HG2 PRO 4 5.335 7.678 -3.367 25 HG3 PRO 4 HG1 PRO 4 5.107 9.317 -2.726 26 HD2 PRO 4 HD2 PRO 4 4.402 6.685 -1.482 27 HD3 PRO 4 HD1 PRO 4 5.149 8.121 -0.742 28 H CYS 5 H CYS 5 0.100 9.385 -3.285 29 HA CYS 5 HA CYS 5 -1.506 7.379 -2.174 30 HB2 CYS 5 HB2 CYS 5 -2.367 9.527 -3.171 31 HB3 CYS 5 HB1 CYS 5 -1.989 8.806 -4.750 32 H PHE 6 H PHE 6 -1.171 5.307 -2.522 33 HA PHE 6 HA PHE 6 -1.117 4.439 -5.301 34 HB2 PHE 6 HB2 PHE 6 1.190 4.417 -4.168 35 HB3 PHE 6 HB1 PHE 6 0.555 3.096 -3.188 36 HD1 PHE 6 HD1 PHE 6 1.115 4.196 -6.640 37 HD2 PHE 6 HD2 PHE 6 0.537 0.906 -4.021 38 HE1 PHE 6 HE1 PHE 6 1.628 2.707 -8.461 39 HE2 PHE 6 HE2 PHE 6 1.053 -0.645 -5.840 40 HZ PHE 6 HZ PHE 6 1.609 0.235 -8.093 41 H CYS 7 H CYS 7 -2.332 2.608 -5.667 42 HA CYS 7 HA CYS 7 -3.635 1.431 -3.317 43 HB2 CYS 7 HB2 CYS 7 -4.894 1.873 -6.025 44 HB3 CYS 7 HB1 CYS 7 -5.678 1.237 -4.590 45 H VAL 8 H VAL 8 -4.087 -0.789 -3.455 46 HA VAL 8 HA VAL 8 -3.145 -2.263 -5.723 47 HB VAL 8 HB VAL 8 -1.140 -1.953 -4.473 48 HG11 VAL 8 HG11 VAL 8 -2.534 -3.260 -2.131 49 HG12 VAL 8 HG12 VAL 8 -1.978 -1.590 -2.228 50 HG13 VAL 8 3HG1 VAL 8 -0.806 -2.907 -2.191 51 HG21 VAL 8 HG21 VAL 8 -2.114 -4.796 -4.263 52 HG22 VAL 8 HG22 VAL 8 -0.424 -4.312 -4.122 53 HG23 VAL 8 HG23 VAL 8 -1.292 -4.049 -5.633 54 H GLU 9 H GLU 9 -3.794 -4.381 -5.590 55 HA GLU 9 HA GLU 9 -6.260 -4.648 -4.066 56 HB2 GLU 9 HB2 GLU 9 -6.178 -5.222 -6.521 57 HB3 GLU 9 HB1 GLU 9 -5.166 -6.597 -6.098 58 HG2 GLU 9 HG2 GLU 9 -6.908 -7.586 -4.831 59 HG3 GLU 9 HG1 GLU 9 -7.917 -6.148 -4.981 60 H ASP 10 H ASP 10 -6.077 -5.300 -2.115 61 HA ASP 10 HA ASP 10 -3.839 -6.952 -1.281 62 HB2 ASP 10 HB2 ASP 10 -4.393 -4.913 -0.002 63 HB3 ASP 10 HB1 ASP 10 -5.996 -5.572 0.307 64 H GLU 11 H GLU 11 -4.013 -8.952 -1.127 65 HA GLU 11 HA GLU 11 -6.414 -10.377 -1.554 66 HB2 GLU 11 HB2 GLU 11 -3.661 -11.253 -0.784 67 HB3 GLU 11 HB1 GLU 11 -4.987 -12.390 -0.967 68 HG2 GLU 11 HG2 GLU 11 -3.909 -10.548 -3.076 69 HG3 GLU 11 HG1 GLU 11 -3.679 -12.298 -2.987 70 H THR 12 H THR 12 -5.043 -9.163 1.335 71 HA THR 12 HA THR 12 -6.219 -11.203 2.977 72 HB THR 12 HB THR 12 -5.158 -8.466 3.781 73 HG1 THR 12 HG1 THR 12 -3.501 -9.686 2.965 74 HG21 THR 12 HG21 THR 12 -5.720 -10.915 5.464 75 HG22 THR 12 HG22 THR 12 -6.683 -9.439 5.455 76 HG23 THR 12 HG23 THR 12 -5.021 -9.403 6.044 77 H SER 13 H SER 13 -6.950 -7.815 2.193 78 HA SER 13 HA SER 13 -9.564 -8.092 3.396 79 HB2 SER 13 HB2 SER 13 -8.280 -5.814 1.942 80 HB3 SER 13 HB1 SER 13 -9.849 -5.721 2.752 81 HG SER 13 HG SER 13 -8.896 -5.522 4.553 82 H GLY 14 H GLY 14 -8.244 -8.657 0.333 83 HA2 GLY 14 HA2 GLY 14 -9.196 -9.563 -1.537 84 HA3 GLY 14 HA1 GLY 14 -10.733 -9.613 -0.692 85 H ALA 15 H ALA 15 -8.899 -6.710 -1.051 86 HA ALA 15 HA ALA 15 -10.446 -5.710 -3.265 87 HB1 ALA 15 HB1 ALA 15 -12.076 -5.464 -1.444 88 HB2 ALA 15 HB2 ALA 15 -11.531 -3.890 -2.025 89 HB3 ALA 15 HB3 ALA 15 -10.898 -4.539 -0.513 90 H LYS 16 H LYS 16 -9.881 -3.427 -3.707 91 HA LYS 16 HA LYS 16 -7.069 -3.075 -3.330 92 HB2 LYS 16 HB2 LYS 16 -9.116 -1.462 -4.839 93 HB3 LYS 16 HB1 LYS 16 -7.436 -0.967 -4.679 94 HG2 LYS 16 HG2 LYS 16 -6.680 -2.909 -5.809 95 HG3 LYS 16 HG1 LYS 16 -8.293 -3.594 -5.854 96 HD2 LYS 16 HD2 LYS 16 -9.008 -1.688 -7.276 97 HD3 LYS 16 HD1 LYS 16 -7.360 -1.062 -7.224 98 HE2 LYS 16 HE2 LYS 16 -7.681 -2.229 -9.306 99 HE3 LYS 16 HE1 LYS 16 -6.583 -3.156 -8.296 100 HZ1 LYS 16 HZ1 LYS 16 -8.260 -4.485 -9.454 101 HZ2 LYS 16 HZ2 LYS 16 -9.484 -3.762 -8.553 102 HZ3 LYS 16 HZ3 LYS 16 -8.335 -4.724 -7.803 103 H THR 17 H THR 17 -6.073 -1.959 -1.988 104 HA THR 17 HA THR 17 -7.562 -0.123 -0.269 105 HB THR 17 HB THR 17 -5.184 -1.857 0.486 106 HG1 THR 17 HG1 THR 17 -7.308 -2.901 -0.086 107 HG21 THR 17 HG21 THR 17 -5.551 0.159 1.859 108 HG22 THR 17 HG22 THR 17 -5.873 -1.313 2.777 109 HG23 THR 17 HG23 THR 17 -7.215 -0.350 2.152 110 H CYS 18 H CYS 18 -6.310 1.804 0.252 111 HA CYS 18 HA CYS 18 -4.010 2.120 -1.510 112 HB2 CYS 18 HB2 CYS 18 -5.874 4.305 -0.654 113 HB3 CYS 18 HB1 CYS 18 -4.593 4.391 -1.831 114 H VAL 19 H VAL 19 -2.512 3.578 -0.850 115 HA VAL 19 HA VAL 19 -2.333 4.105 2.029 116 HB VAL 19 HB VAL 19 0.013 3.295 0.261 117 HG11 VAL 19 HG11 VAL 19 1.274 3.122 2.345 118 HG12 VAL 19 HG12 VAL 19 -0.153 3.615 3.251 119 HG13 VAL 19 3HG1 VAL 19 0.608 4.744 2.133 120 HG21 VAL 19 HG21 VAL 19 -1.407 1.601 2.324 121 HG22 VAL 19 HG22 VAL 19 0.072 1.154 1.473 122 HG23 VAL 19 HG23 VAL 19 -1.435 1.350 0.579 123 HA PRO 20 HA PRO 20 -1.936 5.693 3.367 124 HB2 PRO 20 HB2 PRO 20 -3.210 8.017 3.857 125 HB3 PRO 20 HB1 PRO 20 -1.443 7.874 3.931 126 HG2 PRO 20 HG2 PRO 20 -3.199 8.922 1.758 127 HG3 PRO 20 HG1 PRO 20 -1.692 9.596 2.368 128 HD2 PRO 20 HD2 PRO 20 -1.752 8.162 0.088 129 HD3 PRO 20 HD1 PRO 20 -0.373 8.085 1.198 130 H ASP 21 H ASP 21 -3.985 5.750 4.572 131 HA ASP 21 HA ASP 21 -6.058 4.391 3.406 132 HB2 ASP 21 HB2 ASP 21 -5.784 4.479 5.819 133 HB3 ASP 21 HB1 ASP 21 -6.106 6.215 5.771 134 H ASN 22 H ASN 22 -7.345 4.916 1.967 135 HA ASN 22 HA ASN 22 -8.385 6.003 0.401 136 HB2 ASN 22 HB2 ASN 22 -9.620 7.141 2.863 137 HB3 ASN 22 HB1 ASN 22 -10.115 7.681 1.260 138 HD21 ASN 22 HD21 ASN 22 -9.805 5.137 -0.061 139 HD22 ASN 22 HD22 ASN 22 -11.045 4.120 0.543 140 H CYS 23 H CYS 23 -6.011 6.885 0.203 141 HA CYS 23 HA CYS 23 -5.999 9.725 -0.076 142 HB2 CYS 23 HB2 CYS 23 -3.963 9.353 -1.376 143 HB3 CYS 23 HB1 CYS 23 -3.936 8.347 0.069 144 H ASP 24 H ASP 24 -7.550 7.215 -1.598 145 HA ASP 24 HA ASP 24 -7.435 8.204 -4.228 146 HB2 ASP 24 HB2 ASP 24 -8.873 6.294 -4.813 147 HB3 ASP 24 HB1 ASP 24 -7.479 5.792 -3.880 148 H ALA 25 H ALA 25 -8.156 10.150 -3.699 149 HA ALA 25 HA ALA 25 -11.084 10.407 -3.808 150 HB1 ALA 25 HB1 ALA 25 -11.069 12.237 -2.201 151 HB2 ALA 25 HB2 ALA 25 -9.327 12.055 -2.000 152 HB3 ALA 25 HB3 ALA 25 -10.413 10.762 -1.489 153 H SER 26 H SER 26 -8.309 11.014 -5.372 154 HA SER 26 HA SER 26 -9.207 13.631 -6.287 155 HB2 SER 26 HB2 SER 26 -6.759 13.936 -6.891 156 HB3 SER 26 HB1 SER 26 -7.164 13.937 -5.177 157 HG SER 26 HG SER 26 -5.657 12.174 -6.638 158 H ARG 27 H ARG 27 -9.711 10.748 -7.158 159 HA ARG 27 HA ARG 27 -8.844 11.044 -9.913 160 HB2 ARG 27 HB2 ARG 27 -9.175 8.593 -10.087 161 HB3 ARG 27 HB1 ARG 27 -7.898 9.046 -8.969 162 HG2 ARG 27 HG2 ARG 27 -9.423 8.646 -7.090 163 HG3 ARG 27 HG1 ARG 27 -10.684 8.189 -8.233 164 HD2 ARG 27 HD2 ARG 27 -9.356 6.342 -9.021 165 HD3 ARG 27 HD1 ARG 27 -8.012 6.825 -7.988 166 HE ARG 27 HE ARG 27 -10.120 6.467 -6.291 167 HH11 ARG 27 HH11 ARG 27 -8.577 4.416 -8.711 168 HH12 ARG 27 HH12 ARG 27 -8.701 2.986 -7.810 169 HH21 ARG 27 HH21 ARG 27 -10.279 4.458 -4.996 170 HH22 ARG 27 HH22 ARG 27 -9.729 3.005 -5.682 171 H GLY 28 H GLY 28 -10.338 10.218 -11.412 172 HA2 GLY 28 HA2 GLY 28 -12.760 9.510 -11.682 173 HA3 GLY 28 HA1 GLY 28 -13.103 10.889 -10.638 174 H THR 29 H THR 29 -12.572 13.001 -11.404 175 HA THR 29 HA THR 29 -13.135 13.230 -14.202 176 HB THR 29 HB THR 29 -13.041 15.706 -13.747 177 HG1 THR 29 HG1 THR 29 -12.964 15.069 -10.994 178 HG21 THR 29 HG21 THR 29 -15.150 14.488 -13.603 179 HG22 THR 29 HG22 THR 29 -15.080 15.733 -12.353 180 HG23 THR 29 HG23 THR 29 -14.796 14.044 -11.936 181 H ASN 30 H ASN 30 -10.397 13.855 -12.092 182 HA ASN 30 HA ASN 30 -8.767 14.605 -14.376 183 HB2 ASN 30 HB2 ASN 30 -8.092 14.510 -11.418 184 HB3 ASN 30 HB1 ASN 30 -6.935 14.924 -12.673 185 HD21 ASN 30 HD21 ASN 30 -9.661 15.987 -10.839 186 HD22 ASN 30 HD22 ASN 30 -9.619 17.631 -11.364 187 HA PRO 31 HA PRO 31 -7.378 10.435 -15.056 188 HB2 PRO 31 HB2 PRO 31 -4.882 11.729 -16.014 189 HB3 PRO 31 HB1 PRO 31 -5.952 10.604 -16.854 190 HG2 PRO 31 HG2 PRO 31 -5.927 13.186 -17.495 191 HG3 PRO 31 HG1 PRO 31 -7.443 12.267 -17.464 192 HD2 PRO 31 HD2 PRO 31 -6.369 14.216 -15.464 193 HD3 PRO 31 HD1 PRO 31 -8.029 13.973 -16.054 Start of MODEL 5 1 H1 ASP 1 HT1 ASP 1 -1.142 14.026 4.559 2 H2 ASP 1 HT2 ASP 1 0.138 13.791 5.603 3 H3 ASP 1 HT3 ASP 1 -0.425 12.519 4.630 4 HA ASP 1 HA ASP 1 0.797 15.012 3.612 5 HB2 ASP 1 HB2 ASP 1 1.904 12.190 3.651 6 HB3 ASP 1 HB1 ASP 1 2.634 13.545 2.807 7 H VAL 2 H VAL 2 0.440 15.367 1.485 8 HA VAL 2 HA VAL 2 -1.267 13.483 0.167 9 HB VAL 2 HB VAL 2 -1.293 15.144 -1.770 10 HG11 VAL 2 HG11 VAL 2 -2.134 16.146 0.942 11 HG12 VAL 2 HG12 VAL 2 -3.067 15.073 -0.102 12 HG13 VAL 2 3HG1 VAL 2 -2.748 16.735 -0.601 13 HG21 VAL 2 HG21 VAL 2 0.176 16.892 0.222 14 HG22 VAL 2 HG22 VAL 2 -0.510 17.433 -1.309 15 HG23 VAL 2 HG23 VAL 2 0.830 16.287 -1.300 16 H SER 3 H SER 3 0.416 11.853 0.297 17 HA SER 3 HA SER 3 2.534 11.970 -1.620 18 HB2 SER 3 HB2 SER 3 2.741 9.522 -0.870 19 HB3 SER 3 HB1 SER 3 2.959 10.745 0.385 20 HG SER 3 HG SER 3 0.708 9.123 -0.136 21 HA PRO 4 HA PRO 4 0.383 10.425 -5.224 22 HB2 PRO 4 HB2 PRO 4 2.357 8.186 -5.304 23 HB3 PRO 4 HB1 PRO 4 1.892 9.328 -6.571 24 HG2 PRO 4 HG2 PRO 4 4.219 9.595 -5.318 25 HG3 PRO 4 HG1 PRO 4 3.246 11.013 -5.751 26 HD2 PRO 4 HD2 PRO 4 3.619 9.714 -3.089 27 HD3 PRO 4 HD1 PRO 4 3.444 11.431 -3.500 28 H CYS 5 H CYS 5 -1.421 9.280 -5.281 29 HA CYS 5 HA CYS 5 -2.193 7.525 -3.199 30 HB2 CYS 5 HB2 CYS 5 -3.737 9.011 -4.574 31 HB3 CYS 5 HB1 CYS 5 -3.408 7.846 -5.877 32 H PHE 6 H PHE 6 -1.188 5.628 -3.093 33 HA PHE 6 HA PHE 6 -1.240 4.012 -5.538 34 HB2 PHE 6 HB2 PHE 6 1.057 4.684 -4.648 35 HB3 PHE 6 HB1 PHE 6 0.720 3.619 -3.282 36 HD1 PHE 6 HD1 PHE 6 1.262 1.351 -3.455 37 HD2 PHE 6 HD2 PHE 6 0.754 3.701 -6.947 38 HE1 PHE 6 HE1 PHE 6 1.970 -0.556 -4.838 39 HE2 PHE 6 HE2 PHE 6 1.433 1.877 -8.332 40 HZ PHE 6 HZ PHE 6 2.069 -0.317 -7.298 41 H CYS 7 H CYS 7 -2.268 2.095 -5.372 42 HA CYS 7 HA CYS 7 -3.183 1.385 -2.689 43 HB2 CYS 7 HB2 CYS 7 -4.618 0.928 -5.287 44 HB3 CYS 7 HB1 CYS 7 -5.180 0.461 -3.701 45 H VAL 8 H VAL 8 -3.151 -0.662 -2.121 46 HA VAL 8 HA VAL 8 -1.848 -2.587 -3.937 47 HB VAL 8 HB VAL 8 -1.632 -2.685 -0.948 48 HG11 VAL 8 HG11 VAL 8 0.293 -4.168 -1.353 49 HG12 VAL 8 HG12 VAL 8 -0.011 -4.039 -3.084 50 HG13 VAL 8 3HG1 VAL 8 -1.216 -4.778 -2.032 51 HG21 VAL 8 HG21 VAL 8 0.670 -1.767 -1.088 52 HG22 VAL 8 HG22 VAL 8 -0.550 -0.595 -1.586 53 HG23 VAL 8 HG23 VAL 8 0.407 -1.439 -2.801 54 H GLU 9 H GLU 9 -2.819 -4.496 -3.974 55 HA GLU 9 HA GLU 9 -5.553 -4.588 -2.909 56 HB2 GLU 9 HB2 GLU 9 -5.171 -5.011 -5.314 57 HB3 GLU 9 HB1 GLU 9 -4.126 -6.361 -4.909 58 HG2 GLU 9 HG2 GLU 9 -6.275 -7.200 -5.582 59 HG3 GLU 9 HG1 GLU 9 -6.060 -7.496 -3.859 60 H ASP 10 H ASP 10 -6.107 -5.901 -1.308 61 HA ASP 10 HA ASP 10 -4.183 -7.947 -0.464 62 HB2 ASP 10 HB2 ASP 10 -5.174 -6.539 1.367 63 HB3 ASP 10 HB1 ASP 10 -6.776 -7.089 0.885 64 H GLU 11 H GLU 11 -4.418 -9.682 -1.595 65 HA GLU 11 HA GLU 11 -6.614 -10.158 -3.309 66 HB2 GLU 11 HB2 GLU 11 -4.182 -10.752 -3.631 67 HB3 GLU 11 HB1 GLU 11 -4.443 -12.077 -2.520 68 HG2 GLU 11 HG2 GLU 11 -5.990 -13.111 -4.032 69 HG3 GLU 11 HG1 GLU 11 -5.911 -11.713 -5.108 70 H THR 12 H THR 12 -6.074 -10.957 -0.045 71 HA THR 12 HA THR 12 -7.670 -13.353 -0.089 72 HB THR 12 HB THR 12 -6.519 -11.851 2.271 73 HG1 THR 12 HG1 THR 12 -5.434 -13.804 0.507 74 HG21 THR 12 HG21 THR 12 -8.246 -13.549 2.791 75 HG22 THR 12 HG22 THR 12 -6.656 -14.021 3.386 76 HG23 THR 12 HG23 THR 12 -7.301 -14.756 1.916 77 H SER 13 H SER 13 -7.859 -10.038 1.077 78 HA SER 13 HA SER 13 -10.575 -10.399 2.062 79 HB2 SER 13 HB2 SER 13 -8.988 -7.877 1.935 80 HB3 SER 13 HB1 SER 13 -10.289 -8.287 3.056 81 HG SER 13 HG SER 13 -7.688 -9.371 2.900 82 H GLY 14 H GLY 14 -8.946 -9.211 -0.756 83 HA2 GLY 14 HA2 GLY 14 -9.753 -8.365 -2.711 84 HA3 GLY 14 HA1 GLY 14 -11.399 -8.552 -2.088 85 H ALA 15 H ALA 15 -8.785 -6.903 -0.529 86 HA ALA 15 HA ALA 15 -10.303 -4.398 -0.773 87 HB1 ALA 15 HB1 ALA 15 -9.938 -3.886 1.561 88 HB2 ALA 15 HB2 ALA 15 -9.055 -5.396 1.775 89 HB3 ALA 15 HB3 ALA 15 -10.778 -5.428 1.393 90 H LYS 16 H LYS 16 -9.068 -3.067 -1.880 91 HA LYS 16 HA LYS 16 -6.225 -3.004 -1.679 92 HB2 LYS 16 HB2 LYS 16 -8.248 -1.427 -3.219 93 HB3 LYS 16 HB1 LYS 16 -6.606 -0.833 -3.077 94 HG2 LYS 16 HG2 LYS 16 -5.766 -2.854 -4.117 95 HG3 LYS 16 HG1 LYS 16 -7.396 -3.509 -4.222 96 HD2 LYS 16 HD2 LYS 16 -6.527 -0.930 -5.530 97 HD3 LYS 16 HD1 LYS 16 -6.465 -2.487 -6.344 98 HE2 LYS 16 HE2 LYS 16 -8.965 -1.217 -5.212 99 HE3 LYS 16 HE1 LYS 16 -8.480 -1.161 -6.900 100 HZ1 LYS 16 HZ1 LYS 16 -10.124 -2.898 -6.434 101 HZ2 LYS 16 HZ2 LYS 16 -9.043 -3.684 -5.415 102 HZ3 LYS 16 HZ3 LYS 16 -8.700 -3.532 -7.053 103 H THR 17 H THR 17 -5.167 -2.060 -0.188 104 HA THR 17 HA THR 17 -6.349 0.168 1.266 105 HB THR 17 HB THR 17 -5.266 -1.589 2.654 106 HG1 THR 17 HG1 THR 17 -4.100 -0.292 3.924 107 HG21 THR 17 HG21 THR 17 -2.822 -1.924 2.605 108 HG22 THR 17 HG22 THR 17 -2.710 -0.845 1.215 109 HG23 THR 17 HG23 THR 17 -3.566 -2.378 1.071 110 H CYS 18 H CYS 18 -5.269 2.192 1.235 111 HA CYS 18 HA CYS 18 -3.423 2.438 -1.026 112 HB2 CYS 18 HB2 CYS 18 -5.665 4.321 -0.439 113 HB3 CYS 18 HB1 CYS 18 -4.577 4.417 -1.787 114 H VAL 19 H VAL 19 -2.274 4.350 -1.038 115 HA VAL 19 HA VAL 19 -2.000 5.626 1.549 116 HB VAL 19 HB VAL 19 -0.187 3.997 1.410 117 HG11 VAL 19 HG11 VAL 19 0.015 3.704 -0.971 118 HG12 VAL 19 HG12 VAL 19 1.585 4.124 -0.284 119 HG13 VAL 19 3HG1 VAL 19 0.648 5.341 -1.149 120 HG21 VAL 19 HG21 VAL 19 0.824 6.805 1.026 121 HG22 VAL 19 HG22 VAL 19 1.752 5.472 1.711 122 HG23 VAL 19 HG23 VAL 19 0.317 6.069 2.545 123 HA PRO 20 HA PRO 20 -1.799 7.425 2.484 124 HB2 PRO 20 HB2 PRO 20 -3.461 9.510 2.789 125 HB3 PRO 20 HB1 PRO 20 -1.717 9.724 2.554 126 HG2 PRO 20 HG2 PRO 20 -3.945 9.937 0.576 127 HG3 PRO 20 HG1 PRO 20 -2.578 11.026 0.802 128 HD2 PRO 20 HD2 PRO 20 -2.590 9.158 -1.151 129 HD3 PRO 20 HD1 PRO 20 -1.104 9.634 -0.313 130 H ASP 21 H ASP 21 -3.661 7.184 3.885 131 HA ASP 21 HA ASP 21 -5.523 5.327 2.915 132 HB2 ASP 21 HB2 ASP 21 -4.903 5.364 5.271 133 HB3 ASP 21 HB1 ASP 21 -5.594 6.978 5.435 134 H ASN 22 H ASN 22 -7.442 5.518 2.000 135 HA ASN 22 HA ASN 22 -9.200 6.299 1.038 136 HB2 ASN 22 HB2 ASN 22 -9.080 8.173 3.360 137 HB3 ASN 22 HB1 ASN 22 -10.220 8.420 2.037 138 HD21 ASN 22 HD21 ASN 22 -9.336 6.254 4.703 139 HD22 ASN 22 HD22 ASN 22 -10.830 5.406 4.672 140 H CYS 23 H CYS 23 -6.523 7.209 0.047 141 HA CYS 23 HA CYS 23 -6.978 9.795 -1.002 142 HB2 CYS 23 HB2 CYS 23 -5.145 9.270 -2.610 143 HB3 CYS 23 HB1 CYS 23 -4.707 8.941 -0.941 144 H ASP 24 H ASP 24 -8.003 6.703 -1.887 145 HA ASP 24 HA ASP 24 -9.185 7.764 -4.331 146 HB2 ASP 24 HB2 ASP 24 -7.886 5.627 -4.614 147 HB3 ASP 24 HB1 ASP 24 -9.043 4.840 -3.540 148 H ALA 25 H ALA 25 -10.603 8.901 -3.180 149 HA ALA 25 HA ALA 25 -12.994 7.349 -2.572 150 HB1 ALA 25 HB1 ALA 25 -11.991 7.860 -0.383 151 HB2 ALA 25 HB2 ALA 25 -13.520 8.711 -0.601 152 HB3 ALA 25 HB3 ALA 25 -11.996 9.577 -0.783 153 H SER 26 H SER 26 -13.959 7.936 -4.387 154 HA SER 26 HA SER 26 -14.068 10.722 -5.146 155 HB2 SER 26 HB2 SER 26 -13.662 8.996 -6.867 156 HB3 SER 26 HB1 SER 26 -15.211 8.258 -6.474 157 HG SER 26 HG SER 26 -15.646 9.517 -8.155 158 H ARG 27 H ARG 27 -15.719 11.981 -4.665 159 HA ARG 27 HA ARG 27 -18.071 10.824 -3.384 160 HB2 ARG 27 HB2 ARG 27 -18.668 13.097 -2.758 161 HB3 ARG 27 HB1 ARG 27 -16.988 12.816 -2.341 162 HG2 ARG 27 HG2 ARG 27 -16.263 14.061 -4.288 163 HG3 ARG 27 HG1 ARG 27 -17.938 14.283 -4.796 164 HD2 ARG 27 HD2 ARG 27 -17.187 16.292 -3.723 165 HD3 ARG 27 HD1 ARG 27 -18.351 15.496 -2.674 166 HE ARG 27 HE ARG 27 -15.837 14.611 -1.916 167 HH11 ARG 27 HH11 ARG 27 -17.602 17.700 -1.966 168 HH12 ARG 27 HH12 ARG 27 -16.796 18.336 -0.628 169 HH21 ARG 27 HH21 ARG 27 -14.727 15.514 -0.055 170 HH22 ARG 27 HH22 ARG 27 -15.110 17.075 0.478 171 H GLY 28 H GLY 28 -16.982 11.966 -6.360 172 HA2 GLY 28 HA2 GLY 28 -18.694 11.169 -8.106 173 HA3 GLY 28 HA1 GLY 28 -19.682 12.427 -7.369 174 H THR 29 H THR 29 -18.278 12.018 -10.046 175 HA THR 29 HA THR 29 -16.507 14.290 -10.196 176 HB THR 29 HB THR 29 -17.715 12.681 -12.479 177 HG1 THR 29 HG1 THR 29 -16.491 11.436 -10.868 178 HG21 THR 29 HG21 THR 29 -15.182 14.336 -12.299 179 HG22 THR 29 HG22 THR 29 -16.660 14.821 -13.127 180 HG23 THR 29 HG23 THR 29 -15.730 13.443 -13.718 181 H ASN 30 H ASN 30 -17.139 16.314 -10.706 182 HA ASN 30 HA ASN 30 -19.892 16.758 -11.614 183 HB2 ASN 30 HB2 ASN 30 -20.128 18.572 -9.948 184 HB3 ASN 30 HB1 ASN 30 -19.826 17.031 -9.153 185 HD21 ASN 30 HD21 ASN 30 -18.625 20.205 -9.769 186 HD22 ASN 30 HD22 ASN 30 -17.252 20.122 -8.746 187 HA PRO 31 HA PRO 31 -17.810 19.806 -14.144 188 HB2 PRO 31 HB2 PRO 31 -19.967 21.755 -13.912 189 HB3 PRO 31 HB1 PRO 31 -19.544 20.757 -15.301 190 HG2 PRO 31 HG2 PRO 31 -21.829 20.396 -13.875 191 HG3 PRO 31 HG1 PRO 31 -20.988 19.075 -14.702 192 HD2 PRO 31 HD2 PRO 31 -20.931 19.839 -11.808 193 HD3 PRO 31 HD1 PRO 31 -21.038 18.225 -12.546 Start of MODEL 6 1 H1 ASP 1 HT1 ASP 1 1.899 14.748 6.751 2 H2 ASP 1 HT2 ASP 1 2.511 14.053 8.165 3 H3 ASP 1 HT3 ASP 1 1.674 13.111 7.023 4 HA ASP 1 HA ASP 1 4.252 14.445 6.506 5 HB2 ASP 1 HB2 ASP 1 5.195 12.198 6.460 6 HB3 ASP 1 HB1 ASP 1 4.381 12.413 8.007 7 H VAL 2 H VAL 2 5.121 13.264 4.428 8 HA VAL 2 HA VAL 2 2.926 13.362 2.507 9 HB VAL 2 HB VAL 2 5.923 13.462 2.011 10 HG11 VAL 2 HG11 VAL 2 3.616 13.944 0.125 11 HG12 VAL 2 HG12 VAL 2 4.708 12.561 0.103 12 HG13 VAL 2 3HG1 VAL 2 5.322 14.174 -0.265 13 HG21 VAL 2 HG21 VAL 2 3.891 15.696 1.987 14 HG22 VAL 2 HG22 VAL 2 5.585 15.849 1.519 15 HG23 VAL 2 HG23 VAL 2 5.160 15.459 3.187 16 H SER 3 H SER 3 2.075 11.388 2.311 17 HA SER 3 HA SER 3 3.865 9.084 2.221 18 HB2 SER 3 HB2 SER 3 0.862 9.214 2.497 19 HB3 SER 3 HB1 SER 3 1.854 7.759 2.616 20 HG SER 3 HG SER 3 2.811 9.595 4.330 21 HA PRO 4 HA PRO 4 3.050 8.964 -2.230 22 HB2 PRO 4 HB2 PRO 4 3.946 6.162 -2.051 23 HB3 PRO 4 HB1 PRO 4 4.626 7.492 -2.994 24 HG2 PRO 4 HG2 PRO 4 5.894 6.498 -0.835 25 HG3 PRO 4 HG1 PRO 4 5.963 8.219 -1.253 26 HD2 PRO 4 HD2 PRO 4 4.309 6.840 0.830 27 HD3 PRO 4 HD1 PRO 4 5.172 8.395 0.900 28 H CYS 5 H CYS 5 1.198 8.474 -3.155 29 HA CYS 5 HA CYS 5 -0.742 6.920 -1.713 30 HB2 CYS 5 HB2 CYS 5 -1.510 8.987 -2.653 31 HB3 CYS 5 HB1 CYS 5 -0.931 8.540 -4.249 32 H PHE 6 H PHE 6 -0.626 4.868 -1.861 33 HA PHE 6 HA PHE 6 -0.290 3.562 -4.486 34 HB2 PHE 6 HB2 PHE 6 0.188 2.618 -1.676 35 HB3 PHE 6 HB1 PHE 6 -0.044 1.488 -2.995 36 HD1 PHE 6 HD1 PHE 6 2.183 3.981 -1.516 37 HD2 PHE 6 HD2 PHE 6 1.613 1.165 -4.639 38 HE1 PHE 6 HE1 PHE 6 4.580 4.053 -2.007 39 HE2 PHE 6 HE2 PHE 6 3.972 1.211 -5.158 40 HZ PHE 6 HZ PHE 6 5.506 2.672 -3.843 41 H CYS 7 H CYS 7 -2.045 2.521 -5.286 42 HA CYS 7 HA CYS 7 -3.893 1.384 -3.344 43 HB2 CYS 7 HB2 CYS 7 -4.751 2.540 -5.967 44 HB3 CYS 7 HB1 CYS 7 -5.773 1.718 -4.834 45 H VAL 8 H VAL 8 -4.219 -0.579 -3.638 46 HA VAL 8 HA VAL 8 -3.374 -1.886 -6.066 47 HB VAL 8 HB VAL 8 -2.314 -3.512 -4.556 48 HG11 VAL 8 HG11 VAL 8 -1.065 -0.750 -4.612 49 HG12 VAL 8 HG12 VAL 8 -0.897 -1.989 -5.858 50 HG13 VAL 8 3HG1 VAL 8 -0.171 -2.230 -4.269 51 HG21 VAL 8 HG21 VAL 8 -2.522 -1.319 -2.511 52 HG22 VAL 8 HG22 VAL 8 -1.498 -2.740 -2.331 53 HG23 VAL 8 HG23 VAL 8 -3.250 -2.925 -2.433 54 H GLU 9 H GLU 9 -4.364 -3.986 -6.224 55 HA GLU 9 HA GLU 9 -6.788 -4.411 -4.722 56 HB2 GLU 9 HB2 GLU 9 -6.483 -5.074 -7.134 57 HB3 GLU 9 HB1 GLU 9 -5.249 -6.211 -6.621 58 HG2 GLU 9 HG2 GLU 9 -7.245 -7.429 -7.045 59 HG3 GLU 9 HG1 GLU 9 -6.977 -7.404 -5.307 60 H ASP 10 H ASP 10 -6.488 -5.027 -2.620 61 HA ASP 10 HA ASP 10 -4.038 -6.460 -1.988 62 HB2 ASP 10 HB2 ASP 10 -4.253 -4.481 -0.684 63 HB3 ASP 10 HB1 ASP 10 -5.911 -4.890 -0.246 64 H GLU 11 H GLU 11 -4.057 -8.434 -1.742 65 HA GLU 11 HA GLU 11 -6.346 -10.083 -1.675 66 HB2 GLU 11 HB2 GLU 11 -4.719 -11.905 -1.452 67 HB3 GLU 11 HB1 GLU 11 -4.259 -10.749 -2.694 68 HG2 GLU 11 HG2 GLU 11 -2.770 -9.675 -0.934 69 HG3 GLU 11 HG1 GLU 11 -3.062 -11.115 0.028 70 H THR 12 H THR 12 -4.524 -8.574 0.813 71 HA THR 12 HA THR 12 -5.070 -10.398 2.922 72 HB THR 12 HB THR 12 -4.490 -7.455 3.203 73 HG1 THR 12 HG1 THR 12 -2.841 -7.862 2.001 74 HG21 THR 12 HG21 THR 12 -3.221 -8.196 5.171 75 HG22 THR 12 HG22 THR 12 -3.604 -9.874 4.791 76 HG23 THR 12 HG23 THR 12 -4.889 -8.762 5.266 77 H SER 13 H SER 13 -6.432 -7.220 2.016 78 HA SER 13 HA SER 13 -8.622 -7.401 3.854 79 HB2 SER 13 HB2 SER 13 -8.276 -5.586 1.493 80 HB3 SER 13 HB1 SER 13 -9.293 -5.297 2.906 81 HG SER 13 HG SER 13 -6.482 -5.304 2.690 82 H GLY 14 H GLY 14 -7.994 -8.250 0.544 83 HA2 GLY 14 HA2 GLY 14 -9.236 -9.598 -0.855 84 HA3 GLY 14 HA1 GLY 14 -10.567 -9.538 0.303 85 H ALA 15 H ALA 15 -8.952 -6.663 -0.715 86 HA ALA 15 HA ALA 15 -10.788 -5.884 -2.733 87 HB1 ALA 15 HB1 ALA 15 -12.275 -5.633 -0.806 88 HB2 ALA 15 HB2 ALA 15 -11.839 -4.048 -1.452 89 HB3 ALA 15 HB3 ALA 15 -11.064 -4.648 0.013 90 H LYS 16 H LYS 16 -10.353 -3.603 -3.341 91 HA LYS 16 HA LYS 16 -7.622 -3.025 -3.516 92 HB2 LYS 16 HB2 LYS 16 -9.313 -2.283 -5.175 93 HB3 LYS 16 HB1 LYS 16 -9.977 -1.186 -3.975 94 HG2 LYS 16 HG2 LYS 16 -7.891 0.078 -3.950 95 HG3 LYS 16 HG1 LYS 16 -7.182 -1.044 -5.109 96 HD2 LYS 16 HD2 LYS 16 -7.901 0.911 -6.303 97 HD3 LYS 16 HD1 LYS 16 -8.980 -0.416 -6.720 98 HE2 LYS 16 HE2 LYS 16 -10.286 1.580 -6.381 99 HE3 LYS 16 HE1 LYS 16 -10.626 0.462 -5.068 100 HZ1 LYS 16 HZ1 LYS 16 -9.115 1.783 -3.638 101 HZ2 LYS 16 HZ2 LYS 16 -10.352 2.723 -4.292 102 HZ3 LYS 16 HZ3 LYS 16 -8.825 2.814 -4.956 103 H THR 17 H THR 17 -6.332 -2.043 -2.217 104 HA THR 17 HA THR 17 -7.417 -0.498 0.027 105 HB THR 17 HB THR 17 -5.019 -2.340 -0.049 106 HG1 THR 17 HG1 THR 17 -7.081 -3.400 -0.025 107 HG21 THR 17 HG21 THR 17 -4.925 -1.972 2.396 108 HG22 THR 17 HG22 THR 17 -6.239 -0.794 2.262 109 HG23 THR 17 HG23 THR 17 -4.680 -0.476 1.498 110 H CYS 18 H CYS 18 -6.317 1.431 0.452 111 HA CYS 18 HA CYS 18 -4.095 2.029 -1.336 112 HB2 CYS 18 HB2 CYS 18 -6.069 4.031 -0.264 113 HB3 CYS 18 HB1 CYS 18 -4.741 4.335 -1.338 114 H VAL 19 H VAL 19 -2.667 3.516 -0.568 115 HA VAL 19 HA VAL 19 -2.449 3.902 2.329 116 HB VAL 19 HB VAL 19 -0.136 3.045 0.532 117 HG11 VAL 19 HG11 VAL 19 0.575 4.552 2.291 118 HG12 VAL 19 HG12 VAL 19 1.181 2.924 2.597 119 HG13 VAL 19 3HG1 VAL 19 -0.201 3.535 3.504 120 HG21 VAL 19 HG21 VAL 19 -1.590 1.133 0.980 121 HG22 VAL 19 HG22 VAL 19 -1.506 1.462 2.711 122 HG23 VAL 19 HG23 VAL 19 -0.058 0.960 1.839 123 HA PRO 20 HA PRO 20 -2.392 5.546 3.544 124 HB2 PRO 20 HB2 PRO 20 -3.689 7.913 3.838 125 HB3 PRO 20 HB1 PRO 20 -1.956 7.732 4.144 126 HG2 PRO 20 HG2 PRO 20 -3.363 8.795 1.738 127 HG3 PRO 20 HG1 PRO 20 -1.922 9.421 2.546 128 HD2 PRO 20 HD2 PRO 20 -1.769 7.945 0.285 129 HD3 PRO 20 HD1 PRO 20 -0.523 7.883 1.543 130 H ASP 21 H ASP 21 -4.614 5.627 4.431 131 HA ASP 21 HA ASP 21 -6.397 4.127 2.955 132 HB2 ASP 21 HB2 ASP 21 -6.421 4.317 5.426 133 HB3 ASP 21 HB1 ASP 21 -7.014 5.968 5.231 134 H ASN 22 H ASN 22 -7.501 4.615 1.281 135 HA ASN 22 HA ASN 22 -8.476 5.653 -0.385 136 HB2 ASN 22 HB2 ASN 22 -9.835 6.818 1.981 137 HB3 ASN 22 HB1 ASN 22 -10.206 7.414 0.371 138 HD21 ASN 22 HD21 ASN 22 -11.255 6.028 -1.098 139 HD22 ASN 22 HD22 ASN 22 -12.006 4.567 -0.575 140 H CYS 23 H CYS 23 -5.927 6.709 -0.130 141 HA CYS 23 HA CYS 23 -5.998 9.498 -0.415 142 HB2 CYS 23 HB2 CYS 23 -3.855 9.224 -1.697 143 HB3 CYS 23 HB1 CYS 23 -3.855 8.405 -0.140 144 H ASP 24 H ASP 24 -6.797 6.980 -2.513 145 HA ASP 24 HA ASP 24 -7.471 8.916 -4.559 146 HB2 ASP 24 HB2 ASP 24 -6.158 7.035 -5.422 147 HB3 ASP 24 HB1 ASP 24 -7.351 5.899 -4.807 148 H ALA 25 H ALA 25 -9.124 9.653 -3.224 149 HA ALA 25 HA ALA 25 -11.589 8.068 -3.596 150 HB1 ALA 25 HB1 ALA 25 -10.950 9.738 -1.160 151 HB2 ALA 25 HB2 ALA 25 -11.034 7.972 -1.256 152 HB3 ALA 25 HB3 ALA 25 -12.488 8.936 -1.482 153 H SER 26 H SER 26 -10.034 10.659 -4.591 154 HA SER 26 HA SER 26 -12.360 12.387 -4.715 155 HB2 SER 26 HB2 SER 26 -9.542 12.804 -5.755 156 HB3 SER 26 HB1 SER 26 -10.804 14.032 -5.600 157 HG SER 26 HG SER 26 -10.507 12.760 -3.285 158 H ARG 27 H ARG 27 -13.722 11.657 -6.185 159 HA ARG 27 HA ARG 27 -14.643 11.068 -8.105 160 HB2 ARG 27 HB2 ARG 27 -13.315 12.693 -9.312 161 HB3 ARG 27 HB1 ARG 27 -11.924 11.624 -9.305 162 HG2 ARG 27 HG2 ARG 27 -13.194 10.049 -10.744 163 HG3 ARG 27 HG1 ARG 27 -14.496 11.239 -10.822 164 HD2 ARG 27 HD2 ARG 27 -13.019 11.357 -12.773 165 HD3 ARG 27 HD1 ARG 27 -13.002 12.850 -11.833 166 HE ARG 27 HE ARG 27 -10.930 11.408 -10.832 167 HH11 ARG 27 HH11 ARG 27 -11.777 12.473 -14.088 168 HH12 ARG 27 HH12 ARG 27 -10.163 12.676 -14.596 169 HH21 ARG 27 HH21 ARG 27 -8.731 11.657 -11.529 170 HH22 ARG 27 HH22 ARG 27 -8.386 12.182 -13.114 171 H GLY 28 H GLY 28 -15.183 9.100 -7.564 172 HA2 GLY 28 HA2 GLY 28 -13.420 6.974 -8.554 173 HA3 GLY 28 HA1 GLY 28 -14.175 6.833 -6.969 174 H THR 29 H THR 29 -15.242 4.942 -7.725 175 HA THR 29 HA THR 29 -17.210 5.295 -9.820 176 HB THR 29 HB THR 29 -15.966 3.125 -9.617 177 HG1 THR 29 HG1 THR 29 -18.205 3.301 -10.485 178 HG21 THR 29 HG21 THR 29 -15.812 2.938 -7.190 179 HG22 THR 29 HG22 THR 29 -16.618 1.515 -7.845 180 HG23 THR 29 HG23 THR 29 -17.563 2.785 -7.070 181 H ASN 30 H ASN 30 -16.972 5.529 -6.448 182 HA ASN 30 HA ASN 30 -19.870 5.736 -6.245 183 HB2 ASN 30 HB2 ASN 30 -19.076 3.972 -4.795 184 HB3 ASN 30 HB1 ASN 30 -17.909 5.029 -4.028 185 HD21 ASN 30 HD21 ASN 30 -18.582 6.350 -2.364 186 HD22 ASN 30 HD22 ASN 30 -20.185 6.327 -1.746 187 HA PRO 31 HA PRO 31 -18.372 9.812 -4.173 188 HB2 PRO 31 HB2 PRO 31 -15.526 10.094 -4.823 189 HB3 PRO 31 HB1 PRO 31 -16.316 10.244 -3.252 190 HG2 PRO 31 HG2 PRO 31 -14.692 8.182 -3.836 191 HG3 PRO 31 HG1 PRO 31 -16.107 7.994 -2.786 192 HD2 PRO 31 HD2 PRO 31 -15.810 7.321 -5.691 193 HD3 PRO 31 HD1 PRO 31 -16.536 6.362 -4.383 Start of MODEL 7 1 H1 ASP 1 HT1 ASP 1 0.088 16.398 4.235 2 H2 ASP 1 HT2 ASP 1 0.615 15.502 5.577 3 H3 ASP 1 HT3 ASP 1 -0.017 14.717 4.193 4 HA ASP 1 HA ASP 1 2.426 16.349 4.222 5 HB2 ASP 1 HB2 ASP 1 2.087 13.332 4.145 6 HB3 ASP 1 HB1 ASP 1 3.607 14.193 3.969 7 H VAL 2 H VAL 2 3.626 15.938 2.183 8 HA VAL 2 HA VAL 2 1.750 15.835 0.016 9 HB VAL 2 HB VAL 2 3.755 16.241 -1.501 10 HG11 VAL 2 HG11 VAL 2 3.370 18.180 0.774 11 HG12 VAL 2 HG12 VAL 2 2.405 18.094 -0.699 12 HG13 VAL 2 3HG1 VAL 2 4.103 18.563 -0.782 13 HG21 VAL 2 HG21 VAL 2 5.504 15.245 -0.072 14 HG22 VAL 2 HG22 VAL 2 5.257 16.527 1.117 15 HG23 VAL 2 HG23 VAL 2 5.885 16.917 -0.483 16 H SER 3 H SER 3 0.948 13.860 0.108 17 HA SER 3 HA SER 3 2.764 11.599 -0.330 18 HB2 SER 3 HB2 SER 3 0.054 11.647 0.986 19 HB3 SER 3 HB1 SER 3 1.155 10.277 0.910 20 HG SER 3 HG SER 3 2.653 11.548 2.102 21 HA PRO 4 HA PRO 4 0.232 11.285 -4.149 22 HB2 PRO 4 HB2 PRO 4 2.266 9.288 -4.875 23 HB3 PRO 4 HB1 PRO 4 1.841 10.776 -5.724 24 HG2 PRO 4 HG2 PRO 4 4.195 10.486 -4.446 25 HG3 PRO 4 HG1 PRO 4 3.354 12.043 -4.537 26 HD2 PRO 4 HD2 PRO 4 3.456 10.075 -2.280 27 HD3 PRO 4 HD1 PRO 4 3.586 11.849 -2.234 28 H CYS 5 H CYS 5 -1.120 9.515 -4.777 29 HA CYS 5 HA CYS 5 -1.251 7.545 -2.651 30 HB2 CYS 5 HB2 CYS 5 -3.322 8.793 -3.103 31 HB3 CYS 5 HB1 CYS 5 -3.349 8.130 -4.736 32 H PHE 6 H PHE 6 -0.604 5.633 -2.833 33 HA PHE 6 HA PHE 6 -0.755 4.306 -5.417 34 HB2 PHE 6 HB2 PHE 6 1.254 2.911 -4.670 35 HB3 PHE 6 HB1 PHE 6 1.593 4.571 -5.125 36 HD1 PHE 6 HD1 PHE 6 1.352 2.209 -2.317 37 HD2 PHE 6 HD2 PHE 6 2.458 6.126 -3.537 38 HE1 PHE 6 HE1 PHE 6 2.540 2.538 -0.185 39 HE2 PHE 6 HE2 PHE 6 3.643 6.458 -1.413 40 HZ PHE 6 HZ PHE 6 3.683 4.663 0.265 41 H CYS 7 H CYS 7 -1.404 2.134 -5.374 42 HA CYS 7 HA CYS 7 -2.736 1.402 -2.859 43 HB2 CYS 7 HB2 CYS 7 -3.880 1.310 -5.629 44 HB3 CYS 7 HB1 CYS 7 -4.654 0.693 -4.179 45 H VAL 8 H VAL 8 -3.248 -0.781 -2.632 46 HA VAL 8 HA VAL 8 -2.349 -2.626 -4.645 47 HB VAL 8 HB VAL 8 -0.506 -2.543 -3.241 48 HG11 VAL 8 HG11 VAL 8 -0.565 -3.181 -0.798 49 HG12 VAL 8 HG12 VAL 8 -2.325 -3.209 -0.905 50 HG13 VAL 8 3HG1 VAL 8 -1.454 -1.697 -1.144 51 HG21 VAL 8 HG21 VAL 8 -2.035 -5.085 -2.745 52 HG22 VAL 8 HG22 VAL 8 -0.299 -4.914 -2.473 53 HG23 VAL 8 HG23 VAL 8 -0.961 -4.725 -4.097 54 H GLU 9 H GLU 9 -3.519 -4.272 -4.770 55 HA GLU 9 HA GLU 9 -5.997 -4.266 -3.176 56 HB2 GLU 9 HB2 GLU 9 -6.203 -4.210 -5.666 57 HB3 GLU 9 HB1 GLU 9 -5.505 -5.826 -5.700 58 HG2 GLU 9 HG2 GLU 9 -7.344 -6.704 -4.427 59 HG3 GLU 9 HG1 GLU 9 -8.010 -5.090 -4.208 60 H ASP 10 H ASP 10 -5.873 -5.289 -1.456 61 HA ASP 10 HA ASP 10 -4.124 -7.509 -1.141 62 HB2 ASP 10 HB2 ASP 10 -4.456 -6.142 0.809 63 HB3 ASP 10 HB1 ASP 10 -6.203 -6.370 0.729 64 H GLU 11 H GLU 11 -4.457 -9.335 -1.794 65 HA GLU 11 HA GLU 11 -6.796 -10.389 -2.929 66 HB2 GLU 11 HB2 GLU 11 -4.382 -11.826 -1.850 67 HB3 GLU 11 HB1 GLU 11 -5.573 -12.493 -2.952 68 HG2 GLU 11 HG2 GLU 11 -4.897 -11.009 -4.692 69 HG3 GLU 11 HG1 GLU 11 -3.849 -10.116 -3.587 70 H THR 12 H THR 12 -5.507 -10.472 0.322 71 HA THR 12 HA THR 12 -6.911 -12.727 1.258 72 HB THR 12 HB THR 12 -6.042 -10.445 2.993 73 HG1 THR 12 HG1 THR 12 -4.216 -10.517 1.970 74 HG21 THR 12 HG21 THR 12 -5.284 -12.293 4.440 75 HG22 THR 12 HG22 THR 12 -5.766 -13.458 3.208 76 HG23 THR 12 HG23 THR 12 -6.988 -12.483 4.025 77 H SER 13 H SER 13 -7.410 -9.218 1.814 78 HA SER 13 HA SER 13 -9.990 -9.602 2.996 79 HB2 SER 13 HB2 SER 13 -8.705 -7.068 2.060 80 HB3 SER 13 HB1 SER 13 -9.970 -7.229 3.281 81 HG SER 13 HG SER 13 -7.248 -7.870 3.387 82 H GLY 14 H GLY 14 -8.788 -9.048 -0.189 83 HA2 GLY 14 HA2 GLY 14 -9.898 -8.915 -2.193 84 HA3 GLY 14 HA1 GLY 14 -11.417 -9.152 -1.319 85 H ALA 15 H ALA 15 -9.001 -6.765 -0.642 86 HA ALA 15 HA ALA 15 -10.738 -4.617 -1.584 87 HB1 ALA 15 HB1 ALA 15 -10.657 -3.479 0.564 88 HB2 ALA 15 HB2 ALA 15 -9.727 -4.812 1.245 89 HB3 ALA 15 HB3 ALA 15 -11.394 -5.074 0.740 90 H LYS 16 H LYS 16 -9.618 -2.875 -2.262 91 HA LYS 16 HA LYS 16 -6.728 -2.983 -2.235 92 HB2 LYS 16 HB2 LYS 16 -7.897 -2.590 -4.367 93 HB3 LYS 16 HB1 LYS 16 -8.668 -1.185 -3.653 94 HG2 LYS 16 HG2 LYS 16 -6.510 -0.115 -3.418 95 HG3 LYS 16 HG1 LYS 16 -5.737 -1.514 -4.133 96 HD2 LYS 16 HD2 LYS 16 -6.058 0.261 -5.825 97 HD3 LYS 16 HD1 LYS 16 -6.925 -1.211 -6.230 98 HE2 LYS 16 HE2 LYS 16 -8.311 0.709 -6.717 99 HE3 LYS 16 HE1 LYS 16 -9.016 -0.176 -5.383 100 HZ1 LYS 16 HZ1 LYS 16 -9.083 2.180 -5.012 101 HZ2 LYS 16 HZ2 LYS 16 -7.437 2.361 -5.140 102 HZ3 LYS 16 HZ3 LYS 16 -8.120 1.487 -3.846 103 H THR 17 H THR 17 -5.532 -2.103 -0.906 104 HA THR 17 HA THR 17 -6.600 0.004 0.805 105 HB THR 17 HB THR 17 -3.971 -1.466 1.068 106 HG1 THR 17 HG1 THR 17 -6.565 -2.340 1.499 107 HG21 THR 17 HG21 THR 17 -5.797 -0.137 3.084 108 HG22 THR 17 HG22 THR 17 -4.298 0.542 2.448 109 HG23 THR 17 HG23 THR 17 -4.254 -0.908 3.452 110 H CYS 18 H CYS 18 -5.389 2.005 0.906 111 HA CYS 18 HA CYS 18 -3.332 2.292 -1.136 112 HB2 CYS 18 HB2 CYS 18 -5.578 4.231 -0.714 113 HB3 CYS 18 HB1 CYS 18 -4.279 4.381 -1.855 114 H VAL 19 H VAL 19 -2.121 4.165 -0.873 115 HA VAL 19 HA VAL 19 -2.096 5.365 1.801 116 HB VAL 19 HB VAL 19 0.387 4.556 0.230 117 HG11 VAL 19 HG11 VAL 19 0.724 6.559 1.567 118 HG12 VAL 19 HG12 VAL 19 1.631 5.206 2.243 119 HG13 VAL 19 3HG1 VAL 19 0.125 5.723 3.000 120 HG21 VAL 19 HG21 VAL 19 0.816 2.919 2.007 121 HG22 VAL 19 HG22 VAL 19 -0.683 2.574 1.140 122 HG23 VAL 19 HG23 VAL 19 -0.740 3.317 2.739 123 HA PRO 20 HA PRO 20 -1.986 7.371 2.695 124 HB2 PRO 20 HB2 PRO 20 -3.829 9.340 2.561 125 HB3 PRO 20 HB1 PRO 20 -2.088 9.655 2.584 126 HG2 PRO 20 HG2 PRO 20 -3.956 9.462 0.248 127 HG3 PRO 20 HG1 PRO 20 -2.777 10.733 0.589 128 HD2 PRO 20 HD2 PRO 20 -2.199 8.803 -1.139 129 HD3 PRO 20 HD1 PRO 20 -0.962 9.363 0.007 130 H ASP 21 H ASP 21 -3.753 6.901 3.913 131 HA ASP 21 HA ASP 21 -5.394 4.835 3.120 132 HB2 ASP 21 HB2 ASP 21 -4.849 5.402 5.478 133 HB3 ASP 21 HB1 ASP 21 -5.951 6.773 5.343 134 H ASN 22 H ASN 22 -7.033 4.756 1.867 135 HA ASN 22 HA ASN 22 -8.724 5.251 0.542 136 HB2 ASN 22 HB2 ASN 22 -9.602 6.668 3.049 137 HB3 ASN 22 HB1 ASN 22 -10.593 6.513 1.602 138 HD21 ASN 22 HD21 ASN 22 -9.194 4.829 4.312 139 HD22 ASN 22 HD22 ASN 22 -10.130 3.403 4.102 140 H CYS 23 H CYS 23 -6.628 6.818 -0.221 141 HA CYS 23 HA CYS 23 -6.999 9.514 -0.398 142 HB2 CYS 23 HB2 CYS 23 -5.771 9.399 -2.566 143 HB3 CYS 23 HB1 CYS 23 -5.009 8.448 -1.294 144 H ASP 24 H ASP 24 -8.516 7.095 -2.306 145 HA ASP 24 HA ASP 24 -10.185 9.180 -3.494 146 HB2 ASP 24 HB2 ASP 24 -9.914 6.296 -4.382 147 HB3 ASP 24 HB1 ASP 24 -11.066 7.427 -5.071 148 H ALA 25 H ALA 25 -11.104 9.482 -1.558 149 HA ALA 25 HA ALA 25 -13.671 8.144 -1.342 150 HB1 ALA 25 HB1 ALA 25 -11.782 8.155 1.014 151 HB2 ALA 25 HB2 ALA 25 -12.265 6.727 0.096 152 HB3 ALA 25 HB3 ALA 25 -13.460 7.616 1.043 153 H SER 26 H SER 26 -12.342 10.807 -1.823 154 HA SER 26 HA SER 26 -12.880 12.384 0.503 155 HB2 SER 26 HB2 SER 26 -10.998 12.861 -1.037 156 HB3 SER 26 HB1 SER 26 -12.154 13.230 -2.310 157 HG SER 26 HG SER 26 -11.173 14.798 -0.472 158 H ARG 27 H ARG 27 -14.696 13.439 0.938 159 HA ARG 27 HA ARG 27 -16.688 13.744 -1.196 160 HB2 ARG 27 HB2 ARG 27 -17.189 13.164 1.732 161 HB3 ARG 27 HB1 ARG 27 -18.437 13.501 0.544 162 HG2 ARG 27 HG2 ARG 27 -17.877 11.484 -0.671 163 HG3 ARG 27 HG1 ARG 27 -16.538 11.170 0.435 164 HD2 ARG 27 HD2 ARG 27 -19.455 11.284 1.196 165 HD3 ARG 27 HD1 ARG 27 -18.524 9.808 0.956 166 HE ARG 27 HE ARG 27 -17.565 11.710 2.956 167 HH11 ARG 27 HH11 ARG 27 -19.135 8.563 2.306 168 HH12 ARG 27 HH12 ARG 27 -19.001 8.066 3.921 169 HH21 ARG 27 HH21 ARG 27 -17.393 10.952 5.119 170 HH22 ARG 27 HH22 ARG 27 -18.012 9.408 5.538 171 H GLY 28 H GLY 28 -16.142 15.846 -1.684 172 HA2 GLY 28 HA2 GLY 28 -17.336 17.916 -0.405 173 HA3 GLY 28 HA1 GLY 28 -15.748 17.807 0.353 174 H THR 29 H THR 29 -14.715 19.528 -0.482 175 HA THR 29 HA THR 29 -14.491 19.539 -3.392 176 HB THR 29 HB THR 29 -15.748 21.521 -2.654 177 HG1 THR 29 HG1 THR 29 -13.784 21.531 -4.260 178 HG21 THR 29 HG21 THR 29 -14.857 21.774 -0.393 179 HG22 THR 29 HG22 THR 29 -14.662 23.278 -1.296 180 HG23 THR 29 HG23 THR 29 -13.279 22.210 -1.048 181 H ASN 30 H ASN 30 -12.865 19.218 -0.446 182 HA ASN 30 HA ASN 30 -10.284 19.715 -1.727 183 HB2 ASN 30 HB2 ASN 30 -11.059 19.558 1.187 184 HB3 ASN 30 HB1 ASN 30 -9.393 19.485 0.644 185 HD21 ASN 30 HD21 ASN 30 -8.807 21.330 1.679 186 HD22 ASN 30 HD22 ASN 30 -9.332 22.904 1.204 187 HA PRO 31 HA PRO 31 -10.207 15.266 -2.247 188 HB2 PRO 31 HB2 PRO 31 -7.327 15.801 -2.722 189 HB3 PRO 31 HB1 PRO 31 -8.492 14.946 -3.734 190 HG2 PRO 31 HG2 PRO 31 -7.665 17.395 -4.377 191 HG3 PRO 31 HG1 PRO 31 -9.344 16.892 -4.641 192 HD2 PRO 31 HD2 PRO 31 -8.195 18.638 -2.507 193 HD3 PRO 31 HD1 PRO 31 -9.737 18.766 -3.378 Start of MODEL 8 1 H1 ASP 1 HT1 ASP 1 -2.415 20.368 -4.098 2 H2 ASP 1 HT2 ASP 1 -2.183 21.054 -2.574 3 H3 ASP 1 HT3 ASP 1 -2.872 19.519 -2.724 4 HA ASP 1 HA ASP 1 -0.121 20.210 -3.514 5 HB2 ASP 1 HB2 ASP 1 -0.436 20.175 -1.055 6 HB3 ASP 1 HB1 ASP 1 -1.167 18.580 -1.177 7 H VAL 2 H VAL 2 1.011 18.453 -4.452 8 HA VAL 2 HA VAL 2 -0.761 16.411 -5.514 9 HB VAL 2 HB VAL 2 2.141 16.934 -6.222 10 HG11 VAL 2 HG11 VAL 2 0.024 15.295 -7.607 11 HG12 VAL 2 HG12 VAL 2 1.414 14.669 -6.724 12 HG13 VAL 2 3HG1 VAL 2 1.654 15.582 -8.214 13 HG21 VAL 2 HG21 VAL 2 0.773 18.870 -6.782 14 HG22 VAL 2 HG22 VAL 2 -0.363 17.830 -7.639 15 HG23 VAL 2 HG23 VAL 2 1.282 18.025 -8.244 16 H SER 3 H SER 3 -1.030 14.942 -3.999 17 HA SER 3 HA SER 3 1.368 13.776 -2.790 18 HB2 SER 3 HB2 SER 3 -1.498 13.621 -1.851 19 HB3 SER 3 HB1 SER 3 -0.068 13.045 -0.994 20 HG SER 3 HG SER 3 0.264 15.652 -1.607 21 HA PRO 4 HA PRO 4 0.016 10.612 -5.834 22 HB2 PRO 4 HB2 PRO 4 2.653 9.492 -5.083 23 HB3 PRO 4 HB1 PRO 4 1.989 9.811 -6.684 24 HG2 PRO 4 HG2 PRO 4 3.891 11.382 -5.700 25 HG3 PRO 4 HG1 PRO 4 2.537 12.071 -6.613 26 HD2 PRO 4 HD2 PRO 4 2.948 11.976 -3.640 27 HD3 PRO 4 HD1 PRO 4 2.380 13.321 -4.655 28 H CYS 5 H CYS 5 -1.174 8.977 -5.270 29 HA CYS 5 HA CYS 5 -0.823 7.745 -2.645 30 HB2 CYS 5 HB2 CYS 5 -3.087 8.670 -3.500 31 HB3 CYS 5 HB1 CYS 5 -2.960 7.305 -4.630 32 H PHE 6 H PHE 6 -0.452 5.522 -2.527 33 HA PHE 6 HA PHE 6 -0.230 4.243 -5.135 34 HB2 PHE 6 HB2 PHE 6 1.973 4.517 -3.871 35 HB3 PHE 6 HB1 PHE 6 1.329 3.350 -2.707 36 HD1 PHE 6 HD1 PHE 6 1.900 3.849 -6.298 37 HD2 PHE 6 HD2 PHE 6 1.568 1.062 -3.116 38 HE1 PHE 6 HE1 PHE 6 2.484 2.099 -7.826 39 HE2 PHE 6 HE2 PHE 6 2.177 -0.758 -4.644 40 HZ PHE 6 HZ PHE 6 2.644 -0.265 -7.021 41 H CYS 7 H CYS 7 -1.519 2.564 -5.447 42 HA CYS 7 HA CYS 7 -2.967 1.577 -3.101 43 HB2 CYS 7 HB2 CYS 7 -3.893 1.808 -5.938 44 HB3 CYS 7 HB1 CYS 7 -4.817 1.117 -4.616 45 H VAL 8 H VAL 8 -3.490 -0.556 -2.993 46 HA VAL 8 HA VAL 8 -2.395 -2.415 -4.968 47 HB VAL 8 HB VAL 8 -2.059 -2.869 -2.001 48 HG11 VAL 8 HG11 VAL 8 -0.502 -4.651 -2.626 49 HG12 VAL 8 HG12 VAL 8 -0.824 -4.313 -4.324 50 HG13 VAL 8 3HG1 VAL 8 -2.122 -4.891 -3.280 51 HG21 VAL 8 HG21 VAL 8 0.369 -2.429 -2.216 52 HG22 VAL 8 HG22 VAL 8 -0.599 -0.990 -2.533 53 HG23 VAL 8 HG23 VAL 8 0.104 -1.891 -3.874 54 H GLU 9 H GLU 9 -3.662 -4.249 -5.029 55 HA GLU 9 HA GLU 9 -6.198 -4.143 -3.545 56 HB2 GLU 9 HB2 GLU 9 -6.235 -4.513 -6.028 57 HB3 GLU 9 HB1 GLU 9 -5.386 -6.027 -5.772 58 HG2 GLU 9 HG2 GLU 9 -7.268 -6.886 -4.511 59 HG3 GLU 9 HG1 GLU 9 -8.098 -5.338 -4.663 60 H ASP 10 H ASP 10 -6.072 -4.933 -1.619 61 HA ASP 10 HA ASP 10 -4.104 -6.878 -0.899 62 HB2 ASP 10 HB2 ASP 10 -4.883 -5.190 0.744 63 HB3 ASP 10 HB1 ASP 10 -6.474 -5.954 0.729 64 H GLU 11 H GLU 11 -4.177 -8.810 -1.201 65 HA GLU 11 HA GLU 11 -6.446 -10.098 -2.337 66 HB2 GLU 11 HB2 GLU 11 -3.791 -11.236 -1.499 67 HB3 GLU 11 HB1 GLU 11 -4.990 -12.061 -2.486 68 HG2 GLU 11 HG2 GLU 11 -4.787 -10.275 -4.165 69 HG3 GLU 11 HG1 GLU 11 -3.519 -9.535 -3.195 70 H THR 12 H THR 12 -5.359 -9.755 0.889 71 HA THR 12 HA THR 12 -6.532 -12.225 1.798 72 HB THR 12 HB THR 12 -5.539 -9.858 3.407 73 HG1 THR 12 HG1 THR 12 -3.959 -12.123 3.148 74 HG21 THR 12 HG21 THR 12 -5.217 -11.534 5.188 75 HG22 THR 12 HG22 THR 12 -5.866 -12.785 4.129 76 HG23 THR 12 HG23 THR 12 -6.906 -11.471 4.682 77 H SER 13 H SER 13 -7.203 -8.781 1.928 78 HA SER 13 HA SER 13 -9.730 -9.124 3.287 79 HB2 SER 13 HB2 SER 13 -8.657 -6.666 1.970 80 HB3 SER 13 HB1 SER 13 -9.775 -6.764 3.332 81 HG SER 13 HG SER 13 -7.034 -7.481 3.272 82 H GLY 14 H GLY 14 -8.537 -8.772 0.035 83 HA2 GLY 14 HA2 GLY 14 -9.614 -8.980 -1.981 84 HA3 GLY 14 HA1 GLY 14 -11.135 -9.197 -1.111 85 H ALA 15 H ALA 15 -8.955 -6.575 -0.562 86 HA ALA 15 HA ALA 15 -10.906 -4.744 -1.748 87 HB1 ALA 15 HB1 ALA 15 -11.458 -4.968 0.622 88 HB2 ALA 15 HB2 ALA 15 -10.889 -3.343 0.237 89 HB3 ALA 15 HB3 ALA 15 -9.817 -4.484 1.047 90 H LYS 16 H LYS 16 -9.993 -3.216 -2.859 91 HA LYS 16 HA LYS 16 -7.203 -2.761 -3.029 92 HB2 LYS 16 HB2 LYS 16 -8.844 -2.228 -4.849 93 HB3 LYS 16 HB1 LYS 16 -9.470 -0.942 -3.824 94 HG2 LYS 16 HG2 LYS 16 -7.189 0.050 -3.815 95 HG3 LYS 16 HG1 LYS 16 -6.729 -1.143 -5.014 96 HD2 LYS 16 HD2 LYS 16 -8.429 -0.339 -6.566 97 HD3 LYS 16 HD1 LYS 16 -8.977 0.847 -5.379 98 HE2 LYS 16 HE2 LYS 16 -6.776 1.916 -5.438 99 HE3 LYS 16 HE1 LYS 16 -6.237 0.729 -6.618 100 HZ1 LYS 16 HZ1 LYS 16 -6.838 2.801 -7.661 101 HZ2 LYS 16 HZ2 LYS 16 -8.388 2.728 -7.016 102 HZ3 LYS 16 HZ3 LYS 16 -7.890 1.586 -8.158 103 H THR 17 H THR 17 -5.982 -1.781 -1.683 104 HA THR 17 HA THR 17 -7.152 0.189 0.107 105 HB THR 17 HB THR 17 -6.555 -1.903 1.307 106 HG1 THR 17 HG1 THR 17 -6.055 -0.665 2.856 107 HG21 THR 17 HG21 THR 17 -4.776 -2.708 -0.162 108 HG22 THR 17 HG22 THR 17 -4.217 -2.606 1.506 109 HG23 THR 17 HG23 THR 17 -3.742 -1.369 0.341 110 H CYS 18 H CYS 18 -5.686 1.942 0.568 111 HA CYS 18 HA CYS 18 -3.532 2.152 -1.392 112 HB2 CYS 18 HB2 CYS 18 -5.531 4.306 -0.801 113 HB3 CYS 18 HB1 CYS 18 -4.179 4.425 -1.886 114 H VAL 19 H VAL 19 -2.119 3.871 -0.948 115 HA VAL 19 HA VAL 19 -1.932 4.603 1.891 116 HB VAL 19 HB VAL 19 0.405 4.044 0.018 117 HG11 VAL 19 HG11 VAL 19 0.384 4.688 2.966 118 HG12 VAL 19 HG12 VAL 19 0.925 5.752 1.668 119 HG13 VAL 19 3HG1 VAL 19 1.812 4.267 2.018 120 HG21 VAL 19 HG21 VAL 19 0.870 2.077 1.424 121 HG22 VAL 19 HG22 VAL 19 -0.706 1.959 0.639 122 HG23 VAL 19 HG23 VAL 19 -0.601 2.395 2.344 123 HA PRO 20 HA PRO 20 -2.101 6.272 3.072 124 HB2 PRO 20 HB2 PRO 20 -3.803 8.299 3.403 125 HB3 PRO 20 HB1 PRO 20 -2.046 8.509 3.496 126 HG2 PRO 20 HG2 PRO 20 -3.905 9.052 1.213 127 HG3 PRO 20 HG1 PRO 20 -2.630 10.092 1.849 128 HD2 PRO 20 HD2 PRO 20 -2.248 8.551 -0.337 129 HD3 PRO 20 HD1 PRO 20 -0.940 8.872 0.822 130 H ASP 21 H ASP 21 -4.055 5.716 4.065 131 HA ASP 21 HA ASP 21 -5.705 4.083 2.533 132 HB2 ASP 21 HB2 ASP 21 -5.394 3.706 4.921 133 HB3 ASP 21 HB1 ASP 21 -6.231 5.216 5.274 134 H ASN 22 H ASN 22 -7.443 4.389 1.392 135 HA ASN 22 HA ASN 22 -8.995 5.353 0.205 136 HB2 ASN 22 HB2 ASN 22 -9.759 6.225 2.972 137 HB3 ASN 22 HB1 ASN 22 -10.708 6.664 1.550 138 HD21 ASN 22 HD21 ASN 22 -9.666 4.016 3.585 139 HD22 ASN 22 HD22 ASN 22 -10.809 2.875 2.962 140 H CYS 23 H CYS 23 -6.619 6.713 -0.001 141 HA CYS 23 HA CYS 23 -6.733 9.454 0.121 142 HB2 CYS 23 HB2 CYS 23 -5.127 9.368 -1.787 143 HB3 CYS 23 HB1 CYS 23 -4.710 8.284 -0.457 144 H ASP 24 H ASP 24 -7.984 7.335 -2.255 145 HA ASP 24 HA ASP 24 -8.885 9.574 -3.874 146 HB2 ASP 24 HB2 ASP 24 -7.771 7.795 -5.107 147 HB3 ASP 24 HB1 ASP 24 -8.916 6.618 -4.485 148 H ALA 25 H ALA 25 -10.244 10.172 -2.281 149 HA ALA 25 HA ALA 25 -12.915 9.046 -2.659 150 HB1 ALA 25 HB1 ALA 25 -12.138 8.276 -0.459 151 HB2 ALA 25 HB2 ALA 25 -13.459 9.434 -0.291 152 HB3 ALA 25 HB3 ALA 25 -11.798 9.943 0.006 153 H SER 26 H SER 26 -13.458 10.656 -4.057 154 HA SER 26 HA SER 26 -13.839 13.273 -2.858 155 HB2 SER 26 HB2 SER 26 -11.739 13.347 -4.225 156 HB3 SER 26 HB1 SER 26 -12.670 12.838 -5.630 157 HG SER 26 HG SER 26 -12.267 15.142 -5.365 158 H ARG 27 H ARG 27 -15.397 14.525 -4.259 159 HA ARG 27 HA ARG 27 -17.616 12.760 -4.837 160 HB2 ARG 27 HB2 ARG 27 -17.436 15.758 -4.836 161 HB3 ARG 27 HB1 ARG 27 -18.929 14.837 -4.991 162 HG2 ARG 27 HG2 ARG 27 -18.576 13.921 -2.757 163 HG3 ARG 27 HG1 ARG 27 -17.078 14.835 -2.624 164 HD2 ARG 27 HD2 ARG 27 -19.846 15.996 -2.937 165 HD3 ARG 27 HD1 ARG 27 -18.882 15.946 -1.459 166 HE ARG 27 HE ARG 27 -17.732 17.308 -3.750 167 HH11 ARG 27 HH11 ARG 27 -19.418 17.614 -0.647 168 HH12 ARG 27 HH12 ARG 27 -19.004 19.242 -0.416 169 HH21 ARG 27 HH21 ARG 27 -17.201 19.590 -3.434 170 HH22 ARG 27 HH22 ARG 27 -17.739 20.392 -2.035 171 H GLY 28 H GLY 28 -15.203 14.399 -6.561 172 HA2 GLY 28 HA2 GLY 28 -16.226 13.389 -9.032 173 HA3 GLY 28 HA1 GLY 28 -16.256 15.147 -8.922 174 H THR 29 H THR 29 -14.639 13.486 -10.698 175 HA THR 29 HA THR 29 -11.977 13.718 -9.635 176 HB THR 29 HB THR 29 -12.722 13.146 -12.500 177 HG1 THR 29 HG1 THR 29 -13.223 11.669 -10.272 178 HG21 THR 29 HG21 THR 29 -10.368 12.329 -10.782 179 HG22 THR 29 HG22 THR 29 -10.351 13.582 -12.022 180 HG23 THR 29 HG23 THR 29 -10.599 11.896 -12.476 181 H ASN 30 H ASN 30 -11.748 15.881 -9.292 182 HA ASN 30 HA ASN 30 -11.784 17.525 -11.712 183 HB2 ASN 30 HB2 ASN 30 -12.100 18.367 -8.819 184 HB3 ASN 30 HB1 ASN 30 -11.845 19.500 -10.139 185 HD21 ASN 30 HD21 ASN 30 -13.502 19.839 -11.633 186 HD22 ASN 30 HD22 ASN 30 -15.119 19.351 -11.332 187 HA PRO 31 HA PRO 31 -7.411 17.552 -11.203 188 HB2 PRO 31 HB2 PRO 31 -6.851 19.477 -13.071 189 HB3 PRO 31 HB1 PRO 31 -7.199 17.799 -13.486 190 HG2 PRO 31 HG2 PRO 31 -8.965 20.189 -13.623 191 HG3 PRO 31 HG1 PRO 31 -8.883 18.793 -14.709 192 HD2 PRO 31 HD2 PRO 31 -10.806 19.143 -12.789 193 HD3 PRO 31 HD1 PRO 31 -10.305 17.561 -13.414 Start of MODEL 9 1 H1 ASP 1 HT1 ASP 1 4.112 17.119 5.326 2 H2 ASP 1 HT2 ASP 1 4.449 17.499 3.733 3 H3 ASP 1 HT3 ASP 1 5.696 17.535 4.869 4 HA ASP 1 HA ASP 1 5.839 15.592 3.492 5 HB2 ASP 1 HB2 ASP 1 4.950 15.042 6.336 6 HB3 ASP 1 HB1 ASP 1 5.622 13.806 5.284 7 H VAL 2 H VAL 2 4.812 14.053 2.300 8 HA VAL 2 HA VAL 2 2.149 13.271 3.050 9 HB VAL 2 HB VAL 2 1.777 15.268 1.602 10 HG11 VAL 2 HG11 VAL 2 3.722 15.158 0.181 11 HG12 VAL 2 HG12 VAL 2 2.250 15.211 -0.787 12 HG13 VAL 2 3HG1 VAL 2 3.110 13.687 -0.574 13 HG21 VAL 2 HG21 VAL 2 0.059 13.563 1.640 14 HG22 VAL 2 HG22 VAL 2 0.887 12.664 0.370 15 HG23 VAL 2 HG23 VAL 2 0.183 14.241 0.016 16 H SER 3 H SER 3 1.703 11.235 2.499 17 HA SER 3 HA SER 3 3.833 9.661 1.376 18 HB2 SER 3 HB2 SER 3 1.107 8.841 2.429 19 HB3 SER 3 HB1 SER 3 2.492 7.786 2.143 20 HG SER 3 HG SER 3 3.432 9.593 3.656 21 HA PRO 4 HA PRO 4 2.035 9.822 -2.741 22 HB2 PRO 4 HB2 PRO 4 3.032 7.046 -3.010 23 HB3 PRO 4 HB1 PRO 4 3.364 8.459 -4.018 24 HG2 PRO 4 HG2 PRO 4 5.186 7.493 -2.365 25 HG3 PRO 4 HG1 PRO 4 5.007 9.241 -2.611 26 HD2 PRO 4 HD2 PRO 4 4.128 7.545 -0.311 27 HD3 PRO 4 HD1 PRO 4 4.800 9.192 -0.323 28 H CYS 5 H CYS 5 0.162 9.179 -3.640 29 HA CYS 5 HA CYS 5 -1.431 7.317 -2.101 30 HB2 CYS 5 HB2 CYS 5 -2.357 9.543 -2.552 31 HB3 CYS 5 HB1 CYS 5 -2.177 9.272 -4.277 32 H PHE 6 H PHE 6 -1.064 5.298 -2.754 33 HA PHE 6 HA PHE 6 -1.556 4.746 -5.566 34 HB2 PHE 6 HB2 PHE 6 0.167 2.930 -5.528 35 HB3 PHE 6 HB1 PHE 6 0.852 4.536 -5.370 36 HD1 PHE 6 HD1 PHE 6 0.189 1.359 -3.657 37 HD2 PHE 6 HD2 PHE 6 1.975 5.204 -3.347 38 HE1 PHE 6 HE1 PHE 6 1.420 0.620 -1.660 39 HE2 PHE 6 HE2 PHE 6 3.208 4.474 -1.350 40 HZ PHE 6 HZ PHE 6 2.931 2.179 -0.502 41 H CYS 7 H CYS 7 -2.624 2.808 -5.973 42 HA CYS 7 HA CYS 7 -3.744 1.630 -3.559 43 HB2 CYS 7 HB2 CYS 7 -5.060 1.831 -6.262 44 HB3 CYS 7 HB1 CYS 7 -5.790 1.224 -4.784 45 H VAL 8 H VAL 8 -4.078 -0.581 -3.501 46 HA VAL 8 HA VAL 8 -2.608 -2.169 -5.479 47 HB VAL 8 HB VAL 8 -2.281 -2.514 -2.488 48 HG11 VAL 8 HG11 VAL 8 -0.360 -3.917 -3.040 49 HG12 VAL 8 HG12 VAL 8 -0.692 -3.673 -4.753 50 HG13 VAL 8 3HG1 VAL 8 -1.865 -4.514 -3.740 51 HG21 VAL 8 HG21 VAL 8 -0.312 -1.121 -4.306 52 HG22 VAL 8 HG22 VAL 8 -0.020 -1.553 -2.621 53 HG23 VAL 8 HG23 VAL 8 -1.262 -0.368 -3.026 54 H GLU 9 H GLU 9 -3.401 -4.368 -5.417 55 HA GLU 9 HA GLU 9 -6.030 -4.614 -4.298 56 HB2 GLU 9 HB2 GLU 9 -5.438 -5.669 -6.473 57 HB3 GLU 9 HB1 GLU 9 -4.290 -6.700 -5.629 58 HG2 GLU 9 HG2 GLU 9 -6.101 -7.709 -4.361 59 HG3 GLU 9 HG1 GLU 9 -7.263 -6.657 -5.167 60 H ASP 10 H ASP 10 -6.168 -4.878 -2.177 61 HA ASP 10 HA ASP 10 -3.972 -6.095 -0.798 62 HB2 ASP 10 HB2 ASP 10 -4.811 -4.151 0.292 63 HB3 ASP 10 HB1 ASP 10 -6.469 -4.748 0.208 64 H GLU 11 H GLU 11 -3.863 -8.062 -0.506 65 HA GLU 11 HA GLU 11 -5.944 -9.896 -1.070 66 HB2 GLU 11 HB2 GLU 11 -4.268 -11.589 -0.349 67 HB3 GLU 11 HB1 GLU 11 -3.709 -10.447 -1.567 68 HG2 GLU 11 HG2 GLU 11 -2.473 -9.208 0.077 69 HG3 GLU 11 HG1 GLU 11 -3.096 -10.240 1.364 70 H THR 12 H THR 12 -4.972 -8.273 1.755 71 HA THR 12 HA THR 12 -5.911 -10.145 3.682 72 HB THR 12 HB THR 12 -5.805 -7.162 4.112 73 HG1 THR 12 HG1 THR 12 -3.901 -7.354 3.267 74 HG21 THR 12 HG21 THR 12 -5.024 -9.529 5.837 75 HG22 THR 12 HG22 THR 12 -6.530 -8.624 5.973 76 HG23 THR 12 HG23 THR 12 -4.994 -7.835 6.331 77 H SER 13 H SER 13 -7.258 -7.167 2.272 78 HA SER 13 HA SER 13 -9.858 -7.603 3.404 79 HB2 SER 13 HB2 SER 13 -9.003 -5.683 1.270 80 HB3 SER 13 HB1 SER 13 -10.448 -5.558 2.279 81 HG SER 13 HG SER 13 -7.727 -5.305 3.012 82 H GLY 14 H GLY 14 -8.264 -8.232 0.333 83 HA2 GLY 14 HA2 GLY 14 -8.970 -9.867 -1.184 84 HA3 GLY 14 HA1 GLY 14 -10.596 -9.761 -0.519 85 H ALA 15 H ALA 15 -9.038 -6.786 -1.135 86 HA ALA 15 HA ALA 15 -10.001 -6.416 -3.808 87 HB1 ALA 15 HB1 ALA 15 -11.422 -4.983 -1.551 88 HB2 ALA 15 HB2 ALA 15 -12.129 -6.221 -2.590 89 HB3 ALA 15 HB3 ALA 15 -11.647 -4.666 -3.270 90 H LYS 16 H LYS 16 -9.779 -3.961 -4.348 91 HA LYS 16 HA LYS 16 -7.164 -3.227 -3.588 92 HB2 LYS 16 HB2 LYS 16 -9.182 -1.954 -5.377 93 HB3 LYS 16 HB1 LYS 16 -7.762 -1.046 -4.879 94 HG2 LYS 16 HG2 LYS 16 -6.321 -2.766 -5.813 95 HG3 LYS 16 HG1 LYS 16 -7.715 -3.702 -6.318 96 HD2 LYS 16 HD2 LYS 16 -7.061 -0.894 -7.252 97 HD3 LYS 16 HD1 LYS 16 -6.680 -2.356 -8.152 98 HE2 LYS 16 HE2 LYS 16 -9.466 -1.448 -7.390 99 HE3 LYS 16 HE1 LYS 16 -8.720 -1.234 -8.969 100 HZ1 LYS 16 HZ1 LYS 16 -10.186 -3.162 -8.897 101 HZ2 LYS 16 HZ2 LYS 16 -9.260 -3.869 -7.697 102 HZ3 LYS 16 HZ3 LYS 16 -8.613 -3.631 -9.222 103 H THR 17 H THR 17 -6.373 -1.917 -2.321 104 HA THR 17 HA THR 17 -8.042 -0.080 -0.810 105 HB THR 17 HB THR 17 -5.864 -1.887 0.334 106 HG1 THR 17 HG1 THR 17 -8.233 -2.576 -0.277 107 HG21 THR 17 HG21 THR 17 -7.822 -0.026 1.702 108 HG22 THR 17 HG22 THR 17 -6.100 0.287 1.488 109 HG23 THR 17 HG23 THR 17 -6.634 -1.049 2.514 110 H CYS 18 H CYS 18 -6.706 1.800 -0.183 111 HA CYS 18 HA CYS 18 -4.340 1.910 -1.866 112 HB2 CYS 18 HB2 CYS 18 -5.959 4.248 -0.908 113 HB3 CYS 18 HB1 CYS 18 -4.703 4.240 -2.121 114 H VAL 19 H VAL 19 -2.678 3.247 -1.124 115 HA VAL 19 HA VAL 19 -2.431 3.283 1.793 116 HB VAL 19 HB VAL 19 -0.288 2.442 -0.198 117 HG11 VAL 19 HG11 VAL 19 0.652 3.622 1.696 118 HG12 VAL 19 HG12 VAL 19 1.070 1.909 1.761 119 HG13 VAL 19 3HG1 VAL 19 -0.197 2.549 2.808 120 HG21 VAL 19 HG21 VAL 19 -1.949 0.676 0.084 121 HG22 VAL 19 HG22 VAL 19 -1.769 0.766 1.835 122 HG23 VAL 19 HG23 VAL 19 -0.423 0.216 0.839 123 HA PRO 20 HA PRO 20 -1.976 4.611 3.344 124 HB2 PRO 20 HB2 PRO 20 -3.022 6.964 4.171 125 HB3 PRO 20 HB1 PRO 20 -1.283 6.622 4.251 126 HG2 PRO 20 HG2 PRO 20 -2.844 8.154 2.217 127 HG3 PRO 20 HG1 PRO 20 -1.316 8.586 2.978 128 HD2 PRO 20 HD2 PRO 20 -1.374 7.530 0.509 129 HD3 PRO 20 HD1 PRO 20 -0.085 7.132 1.659 130 H ASP 21 H ASP 21 -4.101 4.735 4.466 131 HA ASP 21 HA ASP 21 -6.178 3.765 2.871 132 HB2 ASP 21 HB2 ASP 21 -5.948 3.320 5.308 133 HB3 ASP 21 HB1 ASP 21 -6.342 5.010 5.597 134 H ASN 22 H ASN 22 -7.516 4.751 1.577 135 HA ASN 22 HA ASN 22 -8.592 6.263 0.403 136 HB2 ASN 22 HB2 ASN 22 -9.234 7.241 3.181 137 HB3 ASN 22 HB1 ASN 22 -9.920 7.935 1.713 138 HD21 ASN 22 HD21 ASN 22 -9.834 5.086 3.756 139 HD22 ASN 22 HD22 ASN 22 -11.216 4.342 3.064 140 H CYS 23 H CYS 23 -5.896 6.762 0.436 141 HA CYS 23 HA CYS 23 -5.058 9.301 1.016 142 HB2 CYS 23 HB2 CYS 23 -3.310 8.905 -0.713 143 HB3 CYS 23 HB1 CYS 23 -3.506 7.597 0.451 144 H ASP 24 H ASP 24 -7.069 8.397 -1.568 145 HA ASP 24 HA ASP 24 -6.765 11.096 -2.605 146 HB2 ASP 24 HB2 ASP 24 -7.968 10.414 -4.721 147 HB3 ASP 24 HB1 ASP 24 -6.422 9.630 -4.486 148 H ALA 25 H ALA 25 -7.723 11.902 -0.962 149 HA ALA 25 HA ALA 25 -10.497 12.478 -1.398 150 HB1 ALA 25 HB1 ALA 25 -10.703 10.484 0.032 151 HB2 ALA 25 HB2 ALA 25 -11.212 11.928 0.908 152 HB3 ALA 25 HB3 ALA 25 -9.630 11.219 1.222 153 H SER 26 H SER 26 -10.213 14.607 -1.478 154 HA SER 26 HA SER 26 -8.285 15.916 0.169 155 HB2 SER 26 HB2 SER 26 -10.389 17.102 -1.666 156 HB3 SER 26 HB1 SER 26 -9.027 17.977 -0.964 157 HG SER 26 HG SER 26 -8.636 15.658 -2.518 158 H ARG 27 H ARG 27 -8.674 16.348 2.248 159 HA ARG 27 HA ARG 27 -11.343 16.188 3.207 160 HB2 ARG 27 HB2 ARG 27 -10.417 16.494 5.485 161 HB3 ARG 27 HB1 ARG 27 -9.676 15.178 4.598 162 HG2 ARG 27 HG2 ARG 27 -7.709 16.581 4.172 163 HG3 ARG 27 HG1 ARG 27 -8.482 17.901 5.049 164 HD2 ARG 27 HD2 ARG 27 -8.514 16.580 7.084 165 HD3 ARG 27 HD1 ARG 27 -7.828 15.200 6.227 166 HE ARG 27 HE ARG 27 -6.109 17.328 5.864 167 HH11 ARG 27 HH11 ARG 27 -7.273 15.447 8.632 168 HH12 ARG 27 HH12 ARG 27 -5.819 15.591 9.507 169 HH21 ARG 27 HH21 ARG 27 -4.098 17.515 7.076 170 HH22 ARG 27 HH22 ARG 27 -3.976 16.787 8.596 171 H GLY 28 H GLY 28 -12.644 17.702 2.752 172 HA2 GLY 28 HA2 GLY 28 -11.921 20.483 2.979 173 HA3 GLY 28 HA1 GLY 28 -13.514 19.839 2.561 174 H THR 29 H THR 29 -13.786 18.072 4.691 175 HA THR 29 HA THR 29 -14.226 19.923 6.892 176 HB THR 29 HB THR 29 -15.239 17.089 6.505 177 HG1 THR 29 HG1 THR 29 -15.867 19.172 5.080 178 HG21 THR 29 HG21 THR 29 -16.210 19.349 8.278 179 HG22 THR 29 HG22 THR 29 -15.312 17.935 8.826 180 HG23 THR 29 HG23 THR 29 -16.935 17.745 8.164 181 H ASN 30 H ASN 30 -12.724 19.816 8.504 182 HA ASN 30 HA ASN 30 -11.245 17.311 8.840 183 HB2 ASN 30 HB2 ASN 30 -9.826 18.912 7.594 184 HB3 ASN 30 HB1 ASN 30 -10.038 20.092 8.879 185 HD21 ASN 30 HD21 ASN 30 -7.798 20.179 9.228 186 HD22 ASN 30 HD22 ASN 30 -6.951 18.902 10.017 187 HA PRO 31 HA PRO 31 -12.972 18.176 12.968 188 HB2 PRO 31 HB2 PRO 31 -11.816 15.464 13.357 189 HB3 PRO 31 HB1 PRO 31 -13.435 16.053 13.749 190 HG2 PRO 31 HG2 PRO 31 -13.061 14.438 11.676 191 HG3 PRO 31 HG1 PRO 31 -14.198 15.795 11.570 192 HD2 PRO 31 HD2 PRO 31 -11.421 15.564 10.475 193 HD3 PRO 31 HD1 PRO 31 -12.874 16.266 9.735 Start of MODEL 10 1 H1 ASP 1 HT1 ASP 1 2.298 16.552 4.367 2 H2 ASP 1 HT2 ASP 1 2.590 17.915 3.409 3 H3 ASP 1 HT3 ASP 1 3.776 17.373 4.467 4 HA ASP 1 HA ASP 1 4.291 16.807 2.213 5 HB2 ASP 1 HB2 ASP 1 5.126 15.296 3.908 6 HB3 ASP 1 HB1 ASP 1 3.574 14.470 3.995 7 H VAL 2 H VAL 2 3.539 16.403 0.229 8 HA VAL 2 HA VAL 2 0.782 15.600 -0.027 9 HB VAL 2 HB VAL 2 2.783 16.277 -2.224 10 HG11 VAL 2 HG11 VAL 2 0.934 14.922 -3.030 11 HG12 VAL 2 HG12 VAL 2 0.811 16.568 -3.655 12 HG13 VAL 2 3HG1 VAL 2 -0.224 16.050 -2.325 13 HG21 VAL 2 HG21 VAL 2 0.676 18.028 -0.953 14 HG22 VAL 2 HG22 VAL 2 1.646 18.456 -2.362 15 HG23 VAL 2 HG23 VAL 2 2.424 18.214 -0.799 16 H SER 3 H SER 3 0.917 13.544 0.708 17 HA SER 3 HA SER 3 2.834 11.659 -0.153 18 HB2 SER 3 HB2 SER 3 0.164 11.193 1.156 19 HB3 SER 3 HB1 SER 3 1.558 10.111 1.181 20 HG SER 3 HG SER 3 2.577 12.242 2.104 21 HA PRO 4 HA PRO 4 0.843 10.748 -4.125 22 HB2 PRO 4 HB2 PRO 4 2.670 8.419 -3.993 23 HB3 PRO 4 HB1 PRO 4 2.499 9.625 -5.269 24 HG2 PRO 4 HG2 PRO 4 4.615 9.622 -3.653 25 HG3 PRO 4 HG1 PRO 4 3.882 11.143 -4.194 26 HD2 PRO 4 HD2 PRO 4 3.660 9.757 -1.560 27 HD3 PRO 4 HD1 PRO 4 3.788 11.492 -1.927 28 H CYS 5 H CYS 5 -0.836 9.480 -4.567 29 HA CYS 5 HA CYS 5 -1.763 7.614 -2.586 30 HB2 CYS 5 HB2 CYS 5 -3.262 9.257 -3.788 31 HB3 CYS 5 HB1 CYS 5 -2.909 8.325 -5.250 32 H PHE 6 H PHE 6 -1.161 5.542 -2.694 33 HA PHE 6 HA PHE 6 -1.040 4.426 -5.369 34 HB2 PHE 6 HB2 PHE 6 1.272 4.699 -4.310 35 HB3 PHE 6 HB1 PHE 6 0.772 3.462 -3.154 36 HD1 PHE 6 HD1 PHE 6 1.022 1.200 -3.700 37 HD2 PHE 6 HD2 PHE 6 1.023 4.139 -6.765 38 HE1 PHE 6 HE1 PHE 6 1.550 -0.532 -5.361 39 HE2 PHE 6 HE2 PHE 6 1.544 2.458 -8.421 40 HZ PHE 6 HZ PHE 6 1.817 0.081 -7.736 41 H CYS 7 H CYS 7 -2.235 2.682 -5.624 42 HA CYS 7 HA CYS 7 -3.486 1.578 -3.230 43 HB2 CYS 7 HB2 CYS 7 -4.580 1.727 -6.020 44 HB3 CYS 7 HB1 CYS 7 -5.394 1.073 -4.618 45 H VAL 8 H VAL 8 -3.737 -0.575 -3.086 46 HA VAL 8 HA VAL 8 -2.528 -2.325 -5.108 47 HB VAL 8 HB VAL 8 -2.033 -2.703 -2.151 48 HG11 VAL 8 HG11 VAL 8 -0.694 -3.950 -4.526 49 HG12 VAL 8 HG12 VAL 8 -1.868 -4.707 -3.452 50 HG13 VAL 8 3HG1 VAL 8 -0.276 -4.255 -2.840 51 HG21 VAL 8 HG21 VAL 8 0.294 -1.924 -2.435 52 HG22 VAL 8 HG22 VAL 8 -0.874 -0.636 -2.737 53 HG23 VAL 8 HG23 VAL 8 -0.086 -1.446 -4.090 54 H GLU 9 H GLU 9 -3.536 -4.362 -5.064 55 HA GLU 9 HA GLU 9 -6.098 -4.361 -3.699 56 HB2 GLU 9 HB2 GLU 9 -5.941 -4.985 -6.117 57 HB3 GLU 9 HB1 GLU 9 -5.021 -6.406 -5.636 58 HG2 GLU 9 HG2 GLU 9 -6.885 -7.278 -4.423 59 HG3 GLU 9 HG1 GLU 9 -7.807 -5.803 -4.688 60 H ASP 10 H ASP 10 -6.063 -4.933 -1.698 61 HA ASP 10 HA ASP 10 -4.103 -6.596 -0.519 62 HB2 ASP 10 HB2 ASP 10 -5.128 -4.947 0.896 63 HB3 ASP 10 HB1 ASP 10 -6.736 -5.552 0.513 64 H GLU 11 H GLU 11 -3.937 -8.518 -0.518 65 HA GLU 11 HA GLU 11 -5.693 -10.362 -1.738 66 HB2 GLU 11 HB2 GLU 11 -3.230 -10.610 -1.627 67 HB3 GLU 11 HB1 GLU 11 -3.335 -10.832 0.102 68 HG2 GLU 11 HG2 GLU 11 -4.593 -12.723 -1.876 69 HG3 GLU 11 HG1 GLU 11 -2.944 -12.899 -1.306 70 H THR 12 H THR 12 -5.217 -9.345 1.565 71 HA THR 12 HA THR 12 -6.422 -11.532 2.864 72 HB THR 12 HB THR 12 -6.479 -8.731 3.929 73 HG1 THR 12 HG1 THR 12 -4.465 -8.687 3.337 74 HG21 THR 12 HG21 THR 12 -5.889 -9.889 6.025 75 HG22 THR 12 HG22 THR 12 -5.836 -11.425 5.162 76 HG23 THR 12 HG23 THR 12 -7.363 -10.558 5.328 77 H SER 13 H SER 13 -7.710 -8.313 2.009 78 HA SER 13 HA SER 13 -10.406 -9.100 2.748 79 HB2 SER 13 HB2 SER 13 -9.478 -6.549 1.510 80 HB3 SER 13 HB1 SER 13 -10.930 -6.815 2.478 81 HG SER 13 HG SER 13 -8.235 -6.752 3.255 82 H GLY 14 H GLY 14 -8.456 -8.967 -0.094 83 HA2 GLY 14 HA2 GLY 14 -8.950 -9.383 -2.287 84 HA3 GLY 14 HA1 GLY 14 -10.592 -9.803 -1.782 85 H ALA 15 H ALA 15 -8.950 -6.816 -1.083 86 HA ALA 15 HA ALA 15 -10.661 -5.354 -2.937 87 HB1 ALA 15 HB1 ALA 15 -10.678 -4.854 0.036 88 HB2 ALA 15 HB2 ALA 15 -12.006 -5.537 -0.902 89 HB3 ALA 15 HB3 ALA 15 -11.497 -3.869 -1.175 90 H LYS 16 H LYS 16 -9.889 -3.326 -3.414 91 HA LYS 16 HA LYS 16 -7.084 -3.018 -3.031 92 HB2 LYS 16 HB2 LYS 16 -8.140 -2.639 -5.198 93 HB3 LYS 16 HB1 LYS 16 -9.068 -1.315 -4.508 94 HG2 LYS 16 HG2 LYS 16 -7.071 -0.059 -4.128 95 HG3 LYS 16 HG1 LYS 16 -6.073 -1.409 -4.644 96 HD2 LYS 16 HD2 LYS 16 -6.245 0.203 -6.460 97 HD3 LYS 16 HD1 LYS 16 -7.046 -1.299 -6.892 98 HE2 LYS 16 HE2 LYS 16 -9.226 -0.252 -6.300 99 HE3 LYS 16 HE1 LYS 16 -8.362 1.252 -5.976 100 HZ1 LYS 16 HZ1 LYS 16 -8.519 -0.148 -8.585 101 HZ2 LYS 16 HZ2 LYS 16 -7.592 1.211 -8.285 102 HZ3 LYS 16 HZ3 LYS 16 -9.272 1.312 -8.180 103 H THR 17 H THR 17 -6.112 -2.056 -1.583 104 HA THR 17 HA THR 17 -7.465 0.006 -0.005 105 HB THR 17 HB THR 17 -5.176 -1.830 0.773 106 HG1 THR 17 HG1 THR 17 -7.503 -2.605 0.461 107 HG21 THR 17 HG21 THR 17 -5.642 -1.027 3.068 108 HG22 THR 17 HG22 THR 17 -6.870 0.065 2.420 109 HG23 THR 17 HG23 THR 17 -5.177 0.298 2.000 110 H CYS 18 H CYS 18 -6.285 1.950 0.241 111 HA CYS 18 HA CYS 18 -3.931 2.105 -1.478 112 HB2 CYS 18 HB2 CYS 18 -5.811 4.335 -0.832 113 HB3 CYS 18 HB1 CYS 18 -4.525 4.319 -2.009 114 H VAL 19 H VAL 19 -2.440 3.685 -0.946 115 HA VAL 19 HA VAL 19 -2.338 4.494 1.831 116 HB VAL 19 HB VAL 19 -0.994 2.453 1.713 117 HG11 VAL 19 HG11 VAL 19 1.019 2.252 0.323 118 HG12 VAL 19 HG12 VAL 19 0.588 3.759 -0.486 119 HG13 VAL 19 3HG1 VAL 19 -0.464 2.352 -0.629 120 HG21 VAL 19 HG21 VAL 19 -0.181 4.163 3.202 121 HG22 VAL 19 HG22 VAL 19 0.743 4.906 1.897 122 HG23 VAL 19 HG23 VAL 19 1.187 3.305 2.493 123 HA PRO 20 HA PRO 20 -1.568 6.218 3.113 124 HB2 PRO 20 HB2 PRO 20 -2.990 8.550 3.309 125 HB3 PRO 20 HB1 PRO 20 -1.232 8.465 3.445 126 HG2 PRO 20 HG2 PRO 20 -2.932 9.199 1.118 127 HG3 PRO 20 HG1 PRO 20 -1.450 9.951 1.676 128 HD2 PRO 20 HD2 PRO 20 -1.420 8.277 -0.415 129 HD3 PRO 20 HD1 PRO 20 -0.086 8.298 0.756 130 H ASP 21 H ASP 21 -3.445 5.971 4.336 131 HA ASP 21 HA ASP 21 -5.425 4.408 3.256 132 HB2 ASP 21 HB2 ASP 21 -4.904 4.460 5.647 133 HB3 ASP 21 HB1 ASP 21 -5.567 6.093 5.727 134 H ASN 22 H ASN 22 -7.017 4.779 2.023 135 HA ASN 22 HA ASN 22 -8.601 5.656 0.824 136 HB2 ASN 22 HB2 ASN 22 -9.075 7.194 3.355 137 HB3 ASN 22 HB1 ASN 22 -10.062 7.368 1.903 138 HD21 ASN 22 HD21 ASN 22 -9.225 5.245 4.546 139 HD22 ASN 22 HD22 ASN 22 -10.469 4.103 4.230 140 H CYS 23 H CYS 23 -5.930 6.889 0.466 141 HA CYS 23 HA CYS 23 -6.301 9.570 -0.190 142 HB2 CYS 23 HB2 CYS 23 -4.441 9.225 -1.827 143 HB3 CYS 23 HB1 CYS 23 -4.084 8.608 -0.217 144 H ASP 24 H ASP 24 -7.108 6.724 -1.868 145 HA ASP 24 HA ASP 24 -8.379 8.321 -3.938 146 HB2 ASP 24 HB2 ASP 24 -7.040 6.499 -4.855 147 HB3 ASP 24 HB1 ASP 24 -7.925 5.327 -3.878 148 H ALA 25 H ALA 25 -9.788 9.046 -2.441 149 HA ALA 25 HA ALA 25 -12.287 7.589 -2.562 150 HB1 ALA 25 HB1 ALA 25 -11.127 8.514 0.079 151 HB2 ALA 25 HB2 ALA 25 -11.376 6.837 -0.405 152 HB3 ALA 25 HB3 ALA 25 -12.765 7.900 -0.159 153 H SER 26 H SER 26 -10.936 9.934 -3.660 154 HA SER 26 HA SER 26 -12.911 11.914 -3.217 155 HB2 SER 26 HB2 SER 26 -11.443 12.348 -1.291 156 HB3 SER 26 HB1 SER 26 -10.039 12.407 -2.354 157 HG SER 26 HG SER 26 -11.978 14.266 -1.828 158 H ARG 27 H ARG 27 -12.447 13.727 -4.704 159 HA ARG 27 HA ARG 27 -10.609 13.146 -6.866 160 HB2 ARG 27 HB2 ARG 27 -12.684 12.007 -7.485 161 HB3 ARG 27 HB1 ARG 27 -13.589 13.484 -7.209 162 HG2 ARG 27 HG2 ARG 27 -12.462 14.551 -9.062 163 HG3 ARG 27 HG1 ARG 27 -11.476 13.110 -9.320 164 HD2 ARG 27 HD2 ARG 27 -13.479 11.812 -9.740 165 HD3 ARG 27 HD1 ARG 27 -14.476 13.238 -9.476 166 HE ARG 27 HE ARG 27 -12.566 13.737 -11.480 167 HH11 ARG 27 HH11 ARG 27 -15.556 11.952 -10.927 168 HH12 ARG 27 HH12 ARG 27 -16.066 11.999 -12.548 169 HH21 ARG 27 HH21 ARG 27 -13.229 13.815 -13.674 170 HH22 ARG 27 HH22 ARG 27 -14.705 13.087 -14.173 171 H GLY 28 H GLY 28 -9.729 15.001 -7.555 172 HA2 GLY 28 HA2 GLY 28 -9.803 17.294 -8.152 173 HA3 GLY 28 HA1 GLY 28 -11.174 17.486 -7.064 174 H THR 29 H THR 29 -9.377 15.732 -5.197 175 HA THR 29 HA THR 29 -8.375 17.933 -3.698 176 HB THR 29 HB THR 29 -8.086 14.938 -3.340 177 HG1 THR 29 HG1 THR 29 -10.047 15.110 -2.506 178 HG21 THR 29 HG21 THR 29 -6.308 16.168 -2.134 179 HG22 THR 29 HG22 THR 29 -7.466 15.446 -1.017 180 HG23 THR 29 HG23 THR 29 -7.538 17.171 -1.366 181 H ASN 30 H ASN 30 -6.931 15.225 -5.415 182 HA ASN 30 HA ASN 30 -4.760 16.908 -6.224 183 HB2 ASN 30 HB2 ASN 30 -3.983 15.901 -4.033 184 HB3 ASN 30 HB1 ASN 30 -4.141 14.314 -4.776 185 HD21 ASN 30 HD21 ASN 30 -2.299 17.227 -4.635 186 HD22 ASN 30 HD22 ASN 30 -0.971 16.683 -5.594 187 HA PRO 31 HA PRO 31 -6.348 14.077 -9.407 188 HB2 PRO 31 HB2 PRO 31 -5.719 16.290 -11.213 189 HB3 PRO 31 HB1 PRO 31 -7.270 15.515 -10.918 190 HG2 PRO 31 HG2 PRO 31 -6.749 18.035 -10.091 191 HG3 PRO 31 HG1 PRO 31 -7.815 16.943 -9.192 192 HD2 PRO 31 HD2 PRO 31 -4.954 17.650 -8.663 193 HD3 PRO 31 HD1 PRO 31 -6.308 17.473 -7.525 Start of MODEL 11 1 H1 ASP 1 HT1 ASP 1 10.210 8.600 6.411 2 H2 ASP 1 HT2 ASP 1 10.788 9.170 4.930 3 H3 ASP 1 HT3 ASP 1 11.356 7.709 5.539 4 HA ASP 1 HA ASP 1 9.743 7.420 3.753 5 HB2 ASP 1 HB2 ASP 1 9.910 5.695 5.535 6 HB3 ASP 1 HB1 ASP 1 8.685 6.558 6.460 7 H VAL 2 H VAL 2 7.830 7.947 2.819 8 HA VAL 2 HA VAL 2 5.968 9.626 4.285 9 HB VAL 2 HB VAL 2 5.661 11.033 2.215 10 HG11 VAL 2 HG11 VAL 2 7.642 12.448 2.525 11 HG12 VAL 2 HG12 VAL 2 8.422 11.142 3.418 12 HG13 VAL 2 3HG1 VAL 2 6.973 11.908 4.067 13 HG21 VAL 2 HG21 VAL 2 8.209 9.684 1.315 14 HG22 VAL 2 HG22 VAL 2 7.449 11.065 0.525 15 HG23 VAL 2 HG23 VAL 2 6.618 9.508 0.573 16 H SER 3 H SER 3 3.856 9.700 3.002 17 HA SER 3 HA SER 3 3.545 7.151 1.613 18 HB2 SER 3 HB2 SER 3 1.606 8.467 3.513 19 HB3 SER 3 HB1 SER 3 1.317 6.968 2.624 20 HG SER 3 HG SER 3 3.440 6.373 3.663 21 HA PRO 4 HA PRO 4 1.790 10.072 -1.416 22 HB2 PRO 4 HB2 PRO 4 2.926 8.351 -3.429 23 HB3 PRO 4 HB1 PRO 4 3.408 10.003 -3.039 24 HG2 PRO 4 HG2 PRO 4 4.991 7.792 -2.608 25 HG3 PRO 4 HG1 PRO 4 5.132 9.309 -1.708 26 HD2 PRO 4 HD2 PRO 4 3.781 6.762 -0.927 27 HD3 PRO 4 HD1 PRO 4 4.768 7.873 0.053 28 H CYS 5 H CYS 5 -0.097 9.605 -2.592 29 HA CYS 5 HA CYS 5 -1.417 7.244 -1.829 30 HB2 CYS 5 HB2 CYS 5 -2.657 9.273 -2.151 31 HB3 CYS 5 HB1 CYS 5 -2.201 9.325 -3.850 32 H PHE 6 H PHE 6 -0.861 5.359 -2.543 33 HA PHE 6 HA PHE 6 -1.196 4.889 -5.393 34 HB2 PHE 6 HB2 PHE 6 0.582 3.142 -5.370 35 HB3 PHE 6 HB1 PHE 6 1.213 4.753 -5.075 36 HD1 PHE 6 HD1 PHE 6 2.297 5.285 -3.018 37 HD2 PHE 6 HD2 PHE 6 0.471 1.483 -3.551 38 HE1 PHE 6 HE1 PHE 6 3.442 4.460 -1.012 39 HE2 PHE 6 HE2 PHE 6 1.608 0.654 -1.540 40 HZ PHE 6 HZ PHE 6 3.094 2.147 -0.266 41 H CYS 7 H CYS 7 -2.054 2.780 -5.874 42 HA CYS 7 HA CYS 7 -3.317 1.603 -3.519 43 HB2 CYS 7 HB2 CYS 7 -4.562 2.011 -6.209 44 HB3 CYS 7 HB1 CYS 7 -5.304 1.200 -4.848 45 H VAL 8 H VAL 8 -3.627 -0.520 -3.486 46 HA VAL 8 HA VAL 8 -2.480 -2.161 -5.633 47 HB VAL 8 HB VAL 8 -1.978 -2.663 -2.683 48 HG11 VAL 8 HG11 VAL 8 -0.248 -4.213 -3.430 49 HG12 VAL 8 HG12 VAL 8 -0.678 -3.866 -5.104 50 HG13 VAL 8 3HG1 VAL 8 -1.850 -4.640 -4.035 51 HG21 VAL 8 HG21 VAL 8 0.356 -1.916 -2.987 52 HG22 VAL 8 HG22 VAL 8 -0.798 -0.604 -3.232 53 HG23 VAL 8 HG23 VAL 8 -0.044 -1.385 -4.622 54 H GLU 9 H GLU 9 -3.437 -4.269 -5.626 55 HA GLU 9 HA GLU 9 -6.084 -4.371 -4.402 56 HB2 GLU 9 HB2 GLU 9 -5.751 -4.954 -6.811 57 HB3 GLU 9 HB1 GLU 9 -4.713 -6.276 -6.311 58 HG2 GLU 9 HG2 GLU 9 -6.571 -7.363 -5.224 59 HG3 GLU 9 HG1 GLU 9 -7.622 -6.000 -5.612 60 H ASP 10 H ASP 10 -6.084 -5.061 -2.380 61 HA ASP 10 HA ASP 10 -3.964 -6.893 -1.506 62 HB2 ASP 10 HB2 ASP 10 -4.199 -4.688 -0.352 63 HB3 ASP 10 HB1 ASP 10 -5.820 -5.211 0.130 64 H GLU 11 H GLU 11 -4.442 -8.853 -1.215 65 HA GLU 11 HA GLU 11 -7.115 -9.819 -1.369 66 HB2 GLU 11 HB2 GLU 11 -4.511 -11.208 -0.866 67 HB3 GLU 11 HB1 GLU 11 -6.056 -12.048 -0.941 68 HG2 GLU 11 HG2 GLU 11 -4.788 -10.440 -3.129 69 HG3 GLU 11 HG1 GLU 11 -4.929 -12.199 -3.058 70 H THR 12 H THR 12 -5.119 -8.919 1.271 71 HA THR 12 HA THR 12 -6.435 -10.632 3.160 72 HB THR 12 HB THR 12 -4.738 -8.163 3.665 73 HG1 THR 12 HG1 THR 12 -4.145 -10.775 2.874 74 HG21 THR 12 HG21 THR 12 -5.956 -9.010 5.641 75 HG22 THR 12 HG22 THR 12 -4.220 -9.287 5.803 76 HG23 THR 12 HG23 THR 12 -5.290 -10.617 5.361 77 H SER 13 H SER 13 -6.645 -7.355 2.040 78 HA SER 13 HA SER 13 -8.843 -6.578 3.695 79 HB2 SER 13 HB2 SER 13 -7.096 -5.048 2.684 80 HB3 SER 13 HB1 SER 13 -7.854 -5.379 1.131 81 HG SER 13 HG SER 13 -8.561 -3.470 1.995 82 H GLY 14 H GLY 14 -8.360 -7.925 0.484 83 HA2 GLY 14 HA2 GLY 14 -9.872 -9.317 -0.631 84 HA3 GLY 14 HA1 GLY 14 -11.170 -8.683 0.374 85 H ALA 15 H ALA 15 -9.072 -6.327 -0.952 86 HA ALA 15 HA ALA 15 -10.398 -5.828 -3.392 87 HB1 ALA 15 HB1 ALA 15 -11.238 -4.133 -1.026 88 HB2 ALA 15 HB2 ALA 15 -12.283 -5.223 -1.938 89 HB3 ALA 15 HB3 ALA 15 -11.609 -3.787 -2.714 90 H LYS 16 H LYS 16 -9.894 -3.407 -3.977 91 HA LYS 16 HA LYS 16 -7.157 -2.920 -3.776 92 HB2 LYS 16 HB2 LYS 16 -8.683 -2.038 -5.540 93 HB3 LYS 16 HB1 LYS 16 -9.370 -0.945 -4.347 94 HG2 LYS 16 HG2 LYS 16 -7.150 0.077 -4.065 95 HG3 LYS 16 HG1 LYS 16 -6.527 -0.976 -5.330 96 HD2 LYS 16 HD2 LYS 16 -6.986 0.961 -6.516 97 HD3 LYS 16 HD1 LYS 16 -8.456 0.030 -6.764 98 HE2 LYS 16 HE2 LYS 16 -8.066 2.256 -4.749 99 HE3 LYS 16 HE1 LYS 16 -8.902 2.401 -6.282 100 HZ1 LYS 16 HZ1 LYS 16 -10.410 2.239 -4.500 101 HZ2 LYS 16 HZ2 LYS 16 -9.761 0.823 -3.918 102 HZ3 LYS 16 HZ3 LYS 16 -10.590 0.820 -5.408 103 H THR 17 H THR 17 -5.989 -1.909 -2.322 104 HA THR 17 HA THR 17 -7.277 -0.247 -0.324 105 HB THR 17 HB THR 17 -5.123 -2.318 0.256 106 HG1 THR 17 HG1 THR 17 -7.493 -2.871 -0.243 107 HG21 THR 17 HG21 THR 17 -5.124 -0.332 1.742 108 HG22 THR 17 HG22 THR 17 -5.606 -1.793 2.607 109 HG23 THR 17 HG23 THR 17 -6.824 -0.620 2.100 110 H CYS 18 H CYS 18 -6.021 1.554 0.126 111 HA CYS 18 HA CYS 18 -3.694 1.785 -1.632 112 HB2 CYS 18 HB2 CYS 18 -5.503 3.994 -0.694 113 HB3 CYS 18 HB1 CYS 18 -4.243 4.089 -1.911 114 H VAL 19 H VAL 19 -2.169 3.450 -0.939 115 HA VAL 19 HA VAL 19 -1.999 3.742 1.961 116 HB VAL 19 HB VAL 19 0.345 3.355 0.046 117 HG11 VAL 19 HG11 VAL 19 0.329 3.693 3.047 118 HG12 VAL 19 HG12 VAL 19 0.896 4.873 1.866 119 HG13 VAL 19 3HG1 VAL 19 1.750 3.342 2.062 120 HG21 VAL 19 HG21 VAL 19 -0.663 1.508 2.209 121 HG22 VAL 19 HG22 VAL 19 0.773 1.249 1.217 122 HG23 VAL 19 HG23 VAL 19 -0.828 1.243 0.474 123 HA PRO 20 HA PRO 20 -2.050 5.201 3.335 124 HB2 PRO 20 HB2 PRO 20 -3.607 7.286 4.011 125 HB3 PRO 20 HB1 PRO 20 -1.845 7.359 4.126 126 HG2 PRO 20 HG2 PRO 20 -3.652 8.367 1.970 127 HG3 PRO 20 HG1 PRO 20 -2.310 9.213 2.723 128 HD2 PRO 20 HD2 PRO 20 -2.041 8.005 0.334 129 HD3 PRO 20 HD1 PRO 20 -0.711 8.019 1.509 130 H ASP 21 H ASP 21 -4.103 4.718 4.268 131 HA ASP 21 HA ASP 21 -5.845 3.428 2.504 132 HB2 ASP 21 HB2 ASP 21 -5.540 2.641 4.768 133 HB3 ASP 21 HB1 ASP 21 -6.161 4.163 5.399 134 H ASN 22 H ASN 22 -7.609 4.023 1.489 135 HA ASN 22 HA ASN 22 -9.219 5.175 0.593 136 HB2 ASN 22 HB2 ASN 22 -9.400 6.415 3.337 137 HB3 ASN 22 HB1 ASN 22 -10.502 6.753 2.000 138 HD21 ASN 22 HD21 ASN 22 -10.678 4.149 0.925 139 HD22 ASN 22 HD22 ASN 22 -11.511 3.152 2.045 140 H CYS 23 H CYS 23 -6.416 6.237 0.400 141 HA CYS 23 HA CYS 23 -6.760 9.029 0.073 142 HB2 CYS 23 HB2 CYS 23 -4.630 9.001 -1.049 143 HB3 CYS 23 HB1 CYS 23 -4.540 7.914 0.338 144 H ASP 24 H ASP 24 -7.824 6.367 -1.683 145 HA ASP 24 HA ASP 24 -7.735 7.622 -4.246 146 HB2 ASP 24 HB2 ASP 24 -8.777 5.593 -5.150 147 HB3 ASP 24 HB1 ASP 24 -7.437 5.164 -4.110 148 H ALA 25 H ALA 25 -8.672 9.301 -3.656 149 HA ALA 25 HA ALA 25 -11.323 9.755 -4.505 150 HB1 ALA 25 HB1 ALA 25 -10.937 10.113 -1.523 151 HB2 ALA 25 HB2 ALA 25 -11.934 8.869 -2.271 152 HB3 ALA 25 HB3 ALA 25 -12.377 10.569 -2.436 153 H SER 26 H SER 26 -8.645 10.772 -2.686 154 HA SER 26 HA SER 26 -8.936 13.589 -3.402 155 HB2 SER 26 HB2 SER 26 -6.713 12.237 -1.865 156 HB3 SER 26 HB1 SER 26 -7.179 13.940 -1.814 157 HG SER 26 HG SER 26 -9.303 13.026 -1.080 158 H ARG 27 H ARG 27 -8.221 11.170 -5.161 159 HA ARG 27 HA ARG 27 -6.352 12.424 -6.860 160 HB2 ARG 27 HB2 ARG 27 -4.823 11.525 -5.122 161 HB3 ARG 27 HB1 ARG 27 -5.492 9.925 -5.385 162 HG2 ARG 27 HG2 ARG 27 -4.619 9.886 -7.622 163 HG3 ARG 27 HG1 ARG 27 -4.048 11.550 -7.445 164 HD2 ARG 27 HD2 ARG 27 -2.555 10.876 -5.666 165 HD3 ARG 27 HD1 ARG 27 -3.159 9.223 -5.761 166 HE ARG 27 HE ARG 27 -2.309 9.451 -8.184 167 HH11 ARG 27 HH11 ARG 27 -0.718 10.942 -5.406 168 HH12 ARG 27 HH12 ARG 27 0.860 10.646 -5.920 169 HH21 ARG 27 HH21 ARG 27 -0.128 8.981 -8.934 170 HH22 ARG 27 HH22 ARG 27 1.196 9.501 -8.006 171 H GLY 28 H GLY 28 -6.531 11.532 -8.881 172 HA2 GLY 28 HA2 GLY 28 -8.016 9.029 -9.158 173 HA3 GLY 28 HA1 GLY 28 -8.625 10.488 -9.933 174 H THR 29 H THR 29 -5.476 8.937 -9.563 175 HA THR 29 HA THR 29 -4.592 9.828 -12.140 176 HB THR 29 HB THR 29 -3.293 7.694 -10.438 177 HG1 THR 29 HG1 THR 29 -3.354 10.518 -10.168 178 HG21 THR 29 HG21 THR 29 -2.209 9.804 -12.319 179 HG22 THR 29 HG22 THR 29 -2.337 8.079 -12.670 180 HG23 THR 29 HG23 THR 29 -1.237 8.648 -11.413 181 H ASN 30 H ASN 30 -5.343 6.662 -10.697 182 HA ASN 30 HA ASN 30 -6.019 5.717 -13.354 183 HB2 ASN 30 HB2 ASN 30 -3.786 4.795 -12.942 184 HB3 ASN 30 HB1 ASN 30 -4.291 4.146 -11.393 185 HD21 ASN 30 HD21 ASN 30 -3.795 2.059 -11.915 186 HD22 ASN 30 HD22 ASN 30 -4.669 1.120 -13.066 187 HA PRO 31 HA PRO 31 -8.920 3.546 -10.302 188 HB2 PRO 31 HB2 PRO 31 -8.607 4.016 -7.614 189 HB3 PRO 31 HB1 PRO 31 -8.007 2.567 -8.427 190 HG2 PRO 31 HG2 PRO 31 -6.561 4.987 -7.534 191 HG3 PRO 31 HG1 PRO 31 -6.003 3.311 -7.610 192 HD2 PRO 31 HD2 PRO 31 -5.301 5.233 -9.440 193 HD3 PRO 31 HD1 PRO 31 -5.347 3.494 -9.772 Start of MODEL 12 1 H1 ASP 1 HT1 ASP 1 1.005 17.578 5.001 2 H2 ASP 1 HT2 ASP 1 0.189 16.235 4.373 3 H3 ASP 1 HT3 ASP 1 0.137 17.686 3.552 4 HA ASP 1 HA ASP 1 2.437 17.577 3.062 5 HB2 ASP 1 HB2 ASP 1 3.749 15.599 3.583 6 HB3 ASP 1 HB1 ASP 1 3.112 16.270 5.076 7 H VAL 2 H VAL 2 3.040 16.636 1.129 8 HA VAL 2 HA VAL 2 0.877 15.477 -0.342 9 HB VAL 2 HB VAL 2 3.716 16.105 -1.229 10 HG11 VAL 2 HG11 VAL 2 1.261 15.475 -2.862 11 HG12 VAL 2 HG12 VAL 2 2.676 14.441 -2.673 12 HG13 VAL 2 3HG1 VAL 2 2.816 15.987 -3.515 13 HG21 VAL 2 HG21 VAL 2 2.541 18.108 -0.534 14 HG22 VAL 2 HG22 VAL 2 1.168 17.687 -1.556 15 HG23 VAL 2 HG23 VAL 2 2.719 18.091 -2.289 16 H SER 3 H SER 3 0.541 13.485 0.267 17 HA SER 3 HA SER 3 2.773 11.646 0.536 18 HB2 SER 3 HB2 SER 3 1.049 11.826 2.354 19 HB3 SER 3 HB1 SER 3 -0.163 11.269 1.204 20 HG SER 3 HG SER 3 1.226 9.816 2.750 21 HA PRO 4 HA PRO 4 1.869 10.236 -3.662 22 HB2 PRO 4 HB2 PRO 4 3.184 7.761 -2.693 23 HB3 PRO 4 HB1 PRO 4 3.572 8.762 -4.097 24 HG2 PRO 4 HG2 PRO 4 5.113 8.766 -1.907 25 HG3 PRO 4 HG1 PRO 4 4.847 10.231 -2.864 26 HD2 PRO 4 HD2 PRO 4 3.674 9.446 -0.238 27 HD3 PRO 4 HD1 PRO 4 4.143 11.048 -0.847 28 H CYS 5 H CYS 5 0.048 9.237 -4.335 29 HA CYS 5 HA CYS 5 -1.347 7.557 -2.401 30 HB2 CYS 5 HB2 CYS 5 -2.556 9.489 -3.466 31 HB3 CYS 5 HB1 CYS 5 -2.279 8.668 -5.012 32 H PHE 6 H PHE 6 -0.960 5.440 -2.620 33 HA PHE 6 HA PHE 6 -0.981 4.424 -5.347 34 HB2 PHE 6 HB2 PHE 6 1.363 4.523 -4.271 35 HB3 PHE 6 HB1 PHE 6 0.790 3.221 -3.230 36 HD1 PHE 6 HD1 PHE 6 0.896 1.000 -3.975 37 HD2 PHE 6 HD2 PHE 6 1.148 4.196 -6.760 38 HE1 PHE 6 HE1 PHE 6 1.387 -0.606 -5.773 39 HE2 PHE 6 HE2 PHE 6 1.633 2.642 -8.549 40 HZ PHE 6 HZ PHE 6 1.763 0.202 -8.074 41 H CYS 7 H CYS 7 -2.174 2.607 -5.590 42 HA CYS 7 HA CYS 7 -3.415 1.541 -3.160 43 HB2 CYS 7 HB2 CYS 7 -4.714 1.842 -5.857 44 HB3 CYS 7 HB1 CYS 7 -5.480 1.283 -4.377 45 H VAL 8 H VAL 8 -3.856 -0.654 -3.150 46 HA VAL 8 HA VAL 8 -2.764 -2.268 -5.319 47 HB VAL 8 HB VAL 8 -2.107 -2.827 -2.409 48 HG11 VAL 8 HG11 VAL 8 -0.958 -3.991 -4.930 49 HG12 VAL 8 HG12 VAL 8 -2.077 -4.774 -3.817 50 HG13 VAL 8 3HG1 VAL 8 -0.438 -4.385 -3.292 51 HG21 VAL 8 HG21 VAL 8 -0.252 -1.534 -4.415 52 HG22 VAL 8 HG22 VAL 8 0.218 -2.104 -2.813 53 HG23 VAL 8 HG23 VAL 8 -0.925 -0.770 -2.975 54 H GLU 9 H GLU 9 -3.765 -4.331 -5.286 55 HA GLU 9 HA GLU 9 -6.283 -4.341 -3.863 56 HB2 GLU 9 HB2 GLU 9 -6.064 -4.972 -6.315 57 HB3 GLU 9 HB1 GLU 9 -5.216 -6.417 -5.784 58 HG2 GLU 9 HG2 GLU 9 -7.165 -7.183 -4.605 59 HG3 GLU 9 HG1 GLU 9 -8.013 -5.685 -4.970 60 H ASP 10 H ASP 10 -6.177 -4.963 -1.833 61 HA ASP 10 HA ASP 10 -4.034 -6.573 -0.848 62 HB2 ASP 10 HB2 ASP 10 -5.066 -4.740 0.495 63 HB3 ASP 10 HB1 ASP 10 -6.551 -5.687 0.577 64 H GLU 11 H GLU 11 -3.939 -8.513 -0.832 65 HA GLU 11 HA GLU 11 -5.899 -10.221 -1.994 66 HB2 GLU 11 HB2 GLU 11 -3.318 -10.881 -0.610 67 HB3 GLU 11 HB1 GLU 11 -4.244 -11.962 -1.641 68 HG2 GLU 11 HG2 GLU 11 -3.825 -10.627 -3.554 69 HG3 GLU 11 HG1 GLU 11 -3.119 -9.341 -2.576 70 H THR 12 H THR 12 -5.287 -9.268 1.221 71 HA THR 12 HA THR 12 -6.405 -11.715 2.322 72 HB THR 12 HB THR 12 -5.366 -9.258 3.748 73 HG1 THR 12 HG1 THR 12 -3.413 -10.069 3.475 74 HG21 THR 12 HG21 THR 12 -5.682 -12.134 4.636 75 HG22 THR 12 HG22 THR 12 -6.742 -10.807 5.106 76 HG23 THR 12 HG23 THR 12 -5.051 -10.811 5.617 77 H SER 13 H SER 13 -7.007 -8.267 2.141 78 HA SER 13 HA SER 13 -9.546 -8.353 3.451 79 HB2 SER 13 HB2 SER 13 -7.867 -6.409 3.327 80 HB3 SER 13 HB1 SER 13 -8.431 -6.218 1.671 81 HG SER 13 HG SER 13 -9.591 -5.579 4.047 82 H GLY 14 H GLY 14 -8.328 -8.560 0.177 83 HA2 GLY 14 HA2 GLY 14 -9.367 -9.344 -1.705 84 HA3 GLY 14 HA1 GLY 14 -10.876 -9.477 -0.801 85 H ALA 15 H ALA 15 -8.935 -6.622 -0.886 86 HA ALA 15 HA ALA 15 -10.679 -5.318 -2.796 87 HB1 ALA 15 HB1 ALA 15 -12.019 -5.228 -0.743 88 HB2 ALA 15 HB2 ALA 15 -11.502 -3.620 -1.251 89 HB3 ALA 15 HB3 ALA 15 -10.686 -4.428 0.088 90 H LYS 16 H LYS 16 -9.929 -3.336 -3.447 91 HA LYS 16 HA LYS 16 -7.143 -2.832 -3.127 92 HB2 LYS 16 HB2 LYS 16 -9.350 -1.461 -4.610 93 HB3 LYS 16 HB1 LYS 16 -7.800 -0.660 -4.400 94 HG2 LYS 16 HG2 LYS 16 -6.657 -2.337 -5.572 95 HG3 LYS 16 HG1 LYS 16 -8.038 -3.414 -5.572 96 HD2 LYS 16 HD2 LYS 16 -7.928 -0.733 -6.970 97 HD3 LYS 16 HD1 LYS 16 -7.596 -2.268 -7.768 98 HE2 LYS 16 HE2 LYS 16 -9.903 -3.006 -7.134 99 HE3 LYS 16 HE1 LYS 16 -10.206 -1.385 -6.512 100 HZ1 LYS 16 HZ1 LYS 16 -11.050 -1.684 -8.738 101 HZ2 LYS 16 HZ2 LYS 16 -9.520 -2.065 -9.318 102 HZ3 LYS 16 HZ3 LYS 16 -9.841 -0.514 -8.733 103 H THR 17 H THR 17 -6.164 -1.730 -1.770 104 HA THR 17 HA THR 17 -7.587 0.283 -0.253 105 HB THR 17 HB THR 17 -7.276 -1.762 1.149 106 HG1 THR 17 HG1 THR 17 -7.177 0.266 2.106 107 HG21 THR 17 HG21 THR 17 -5.272 -2.666 0.067 108 HG22 THR 17 HG22 THR 17 -5.015 -2.490 1.805 109 HG23 THR 17 HG23 THR 17 -4.321 -1.316 0.684 110 H CYS 18 H CYS 18 -6.139 2.018 0.368 111 HA CYS 18 HA CYS 18 -3.831 2.106 -1.436 112 HB2 CYS 18 HB2 CYS 18 -5.497 4.452 -0.578 113 HB3 CYS 18 HB1 CYS 18 -4.240 4.420 -1.793 114 H VAL 19 H VAL 19 -2.204 3.621 -0.816 115 HA VAL 19 HA VAL 19 -1.987 4.046 2.072 116 HB VAL 19 HB VAL 19 0.316 3.426 0.178 117 HG11 VAL 19 HG11 VAL 19 1.676 3.267 2.217 118 HG12 VAL 19 HG12 VAL 19 0.277 3.750 3.176 119 HG13 VAL 19 3HG1 VAL 19 0.975 4.873 2.007 120 HG21 VAL 19 HG21 VAL 19 -0.904 1.642 2.292 121 HG22 VAL 19 HG22 VAL 19 0.541 1.276 1.351 122 HG23 VAL 19 HG23 VAL 19 -1.023 1.412 0.548 123 HA PRO 20 HA PRO 20 -2.053 5.584 3.350 124 HB2 PRO 20 HB2 PRO 20 -3.502 7.798 3.856 125 HB3 PRO 20 HB1 PRO 20 -1.754 7.729 4.091 126 HG2 PRO 20 HG2 PRO 20 -3.332 8.893 1.839 127 HG3 PRO 20 HG1 PRO 20 -1.892 9.543 2.626 128 HD2 PRO 20 HD2 PRO 20 -1.802 8.236 0.233 129 HD3 PRO 20 HD1 PRO 20 -0.460 8.233 1.392 130 H ASP 21 H ASP 21 -4.165 5.219 4.226 131 HA ASP 21 HA ASP 21 -5.890 3.991 2.378 132 HB2 ASP 21 HB2 ASP 21 -5.776 3.191 4.670 133 HB3 ASP 21 HB1 ASP 21 -6.349 4.747 5.258 134 H ASN 22 H ASN 22 -7.568 4.657 1.282 135 HA ASN 22 HA ASN 22 -9.046 5.873 0.297 136 HB2 ASN 22 HB2 ASN 22 -9.301 7.270 2.958 137 HB3 ASN 22 HB1 ASN 22 -10.326 7.542 1.554 138 HD21 ASN 22 HD21 ASN 22 -11.061 6.558 4.190 139 HD22 ASN 22 HD22 ASN 22 -11.783 5.015 3.927 140 H CYS 23 H CYS 23 -6.121 6.852 0.307 141 HA CYS 23 HA CYS 23 -6.336 9.632 -0.162 142 HB2 CYS 23 HB2 CYS 23 -4.263 9.422 -1.531 143 HB3 CYS 23 HB1 CYS 23 -4.096 8.630 0.030 144 H ASP 24 H ASP 24 -6.630 6.924 -2.193 145 HA ASP 24 HA ASP 24 -8.005 8.509 -4.211 146 HB2 ASP 24 HB2 ASP 24 -6.232 7.103 -5.140 147 HB3 ASP 24 HB1 ASP 24 -6.914 5.684 -4.356 148 H ALA 25 H ALA 25 -9.692 8.744 -2.852 149 HA ALA 25 HA ALA 25 -11.331 6.352 -2.389 150 HB1 ALA 25 HB1 ALA 25 -10.871 7.774 -0.435 151 HB2 ALA 25 HB2 ALA 25 -12.588 7.637 -0.791 152 HB3 ALA 25 HB3 ALA 25 -11.712 9.106 -1.231 153 H SER 26 H SER 26 -11.508 9.534 -3.554 154 HA SER 26 HA SER 26 -13.461 8.757 -5.569 155 HB2 SER 26 HB2 SER 26 -14.750 9.559 -3.559 156 HB3 SER 26 HB1 SER 26 -13.928 11.110 -3.702 157 HG SER 26 HG SER 26 -15.550 11.556 -4.884 158 H ARG 27 H ARG 27 -10.806 9.232 -5.795 159 HA ARG 27 HA ARG 27 -10.235 11.935 -6.570 160 HB2 ARG 27 HB2 ARG 27 -8.468 10.505 -5.696 161 HB3 ARG 27 HB1 ARG 27 -8.738 9.342 -6.979 162 HG2 ARG 27 HG2 ARG 27 -7.947 10.948 -8.619 163 HG3 ARG 27 HG1 ARG 27 -7.707 12.143 -7.342 164 HD2 ARG 27 HD2 ARG 27 -5.612 11.030 -7.951 165 HD3 ARG 27 HD1 ARG 27 -6.062 10.703 -6.279 166 HE ARG 27 HE ARG 27 -7.083 8.567 -7.503 167 HH11 ARG 27 HH11 ARG 27 -3.865 10.056 -7.767 168 HH12 ARG 27 HH12 ARG 27 -3.088 8.584 -8.133 169 HH21 ARG 27 HH21 ARG 27 -6.001 6.591 -8.069 170 HH22 ARG 27 HH22 ARG 27 -4.315 6.596 -8.294 171 H GLY 28 H GLY 28 -11.310 9.062 -8.012 172 HA2 GLY 28 HA2 GLY 28 -11.900 10.476 -10.497 173 HA3 GLY 28 HA1 GLY 28 -11.114 8.893 -10.563 174 H THR 29 H THR 29 -12.366 7.164 -10.583 175 HA THR 29 HA THR 29 -15.005 7.472 -9.462 176 HB THR 29 HB THR 29 -15.342 7.485 -11.834 177 HG1 THR 29 HG1 THR 29 -16.965 6.327 -11.363 178 HG21 THR 29 HG21 THR 29 -13.255 6.526 -12.604 179 HG22 THR 29 HG22 THR 29 -14.605 5.636 -13.311 180 HG23 THR 29 HG23 THR 29 -13.708 4.955 -11.953 181 H ASN 30 H ASN 30 -15.383 6.191 -7.866 182 HA ASN 30 HA ASN 30 -14.386 3.540 -7.743 183 HB2 ASN 30 HB2 ASN 30 -12.374 4.428 -6.894 184 HB3 ASN 30 HB1 ASN 30 -13.177 5.623 -5.899 185 HD21 ASN 30 HD21 ASN 30 -13.725 5.086 -3.831 186 HD22 ASN 30 HD22 ASN 30 -13.381 3.569 -3.103 187 HA PRO 31 HA PRO 31 -17.758 3.894 -4.581 188 HB2 PRO 31 HB2 PRO 31 -18.330 6.153 -3.224 189 HB3 PRO 31 HB1 PRO 31 -16.946 5.139 -2.807 190 HG2 PRO 31 HG2 PRO 31 -16.978 7.806 -4.026 191 HG3 PRO 31 HG1 PRO 31 -15.636 6.944 -3.264 192 HD2 PRO 31 HD2 PRO 31 -16.278 7.186 -6.106 193 HD3 PRO 31 HD1 PRO 31 -14.817 6.549 -5.338 Start of MODEL 13 1 H1 ASP 1 HT1 ASP 1 -2.690 10.069 8.346 2 H2 ASP 1 HT2 ASP 1 -2.432 9.245 6.893 3 H3 ASP 1 HT3 ASP 1 -3.719 10.307 7.018 4 HA ASP 1 HA ASP 1 -2.175 12.172 7.238 5 HB2 ASP 1 HB2 ASP 1 0.187 11.807 6.853 6 HB3 ASP 1 HB1 ASP 1 -0.295 10.754 8.178 7 H VAL 2 H VAL 2 -0.949 12.949 5.183 8 HA VAL 2 HA VAL 2 -2.008 11.461 2.922 9 HB VAL 2 HB VAL 2 -3.169 13.620 3.091 10 HG11 VAL 2 HG11 VAL 2 -1.992 15.749 2.728 11 HG12 VAL 2 HG12 VAL 2 -0.453 14.897 2.890 12 HG13 VAL 2 3HG1 VAL 2 -1.579 14.965 4.247 13 HG21 VAL 2 HG21 VAL 2 -1.261 13.541 0.758 14 HG22 VAL 2 HG22 VAL 2 -2.758 14.473 0.823 15 HG23 VAL 2 HG23 VAL 2 -2.813 12.712 0.869 16 H SER 3 H SER 3 -0.626 10.667 1.570 17 HA SER 3 HA SER 3 1.975 11.786 1.125 18 HB2 SER 3 HB2 SER 3 1.503 9.016 2.317 19 HB3 SER 3 HB1 SER 3 3.045 9.538 1.640 20 HG SER 3 HG SER 3 1.866 10.183 4.087 21 HA PRO 4 HA PRO 4 1.265 10.260 -3.023 22 HB2 PRO 4 HB2 PRO 4 3.479 8.282 -2.720 23 HB3 PRO 4 HB1 PRO 4 3.143 9.418 -4.034 24 HG2 PRO 4 HG2 PRO 4 5.057 9.968 -2.270 25 HG3 PRO 4 HG1 PRO 4 3.973 11.248 -2.842 26 HD2 PRO 4 HD2 PRO 4 3.978 9.793 -0.234 27 HD3 PRO 4 HD1 PRO 4 3.594 11.492 -0.569 28 H CYS 5 H CYS 5 -0.382 9.060 -3.433 29 HA CYS 5 HA CYS 5 -0.972 6.774 -1.789 30 HB2 CYS 5 HB2 CYS 5 -2.704 8.465 -2.319 31 HB3 CYS 5 HB1 CYS 5 -2.555 7.961 -4.013 32 H PHE 6 H PHE 6 -0.899 4.745 -2.375 33 HA PHE 6 HA PHE 6 -0.838 4.159 -5.212 34 HB2 PHE 6 HB2 PHE 6 1.466 4.004 -3.983 35 HB3 PHE 6 HB1 PHE 6 0.791 2.533 -3.278 36 HD1 PHE 6 HD1 PHE 6 1.388 4.231 -6.482 37 HD2 PHE 6 HD2 PHE 6 0.891 0.526 -4.473 38 HE1 PHE 6 HE1 PHE 6 1.955 3.091 -8.528 39 HE2 PHE 6 HE2 PHE 6 1.467 -0.675 -6.535 40 HZ PHE 6 HZ PHE 6 2.007 0.595 -8.590 41 H CYS 7 H CYS 7 -2.165 2.458 -5.729 42 HA CYS 7 HA CYS 7 -3.473 1.089 -3.478 43 HB2 CYS 7 HB2 CYS 7 -4.747 1.731 -6.124 44 HB3 CYS 7 HB1 CYS 7 -5.527 1.098 -4.696 45 H VAL 8 H VAL 8 -3.765 -1.072 -3.710 46 HA VAL 8 HA VAL 8 -3.119 -2.441 -6.209 47 HB VAL 8 HB VAL 8 -1.875 -3.326 -3.579 48 HG11 VAL 8 HG11 VAL 8 -2.215 -5.123 -5.121 49 HG12 VAL 8 HG12 VAL 8 -0.488 -4.804 -4.952 50 HG13 VAL 8 3HG1 VAL 8 -1.350 -4.249 -6.386 51 HG21 VAL 8 HG21 VAL 8 -0.428 -1.888 -5.805 52 HG22 VAL 8 HG22 VAL 8 0.338 -2.615 -4.392 53 HG23 VAL 8 HG23 VAL 8 -0.755 -1.243 -4.197 54 H GLU 9 H GLU 9 -4.134 -4.549 -6.178 55 HA GLU 9 HA GLU 9 -6.354 -4.719 -4.367 56 HB2 GLU 9 HB2 GLU 9 -6.468 -5.488 -6.759 57 HB3 GLU 9 HB1 GLU 9 -5.400 -6.817 -6.322 58 HG2 GLU 9 HG2 GLU 9 -7.045 -7.633 -4.728 59 HG3 GLU 9 HG1 GLU 9 -8.113 -6.295 -5.134 60 H ASP 10 H ASP 10 -6.005 -5.232 -2.380 61 HA ASP 10 HA ASP 10 -3.792 -6.973 -1.608 62 HB2 ASP 10 HB2 ASP 10 -4.106 -4.726 -0.561 63 HB3 ASP 10 HB1 ASP 10 -5.677 -5.263 0.012 64 H GLU 11 H GLU 11 -4.204 -8.974 -1.195 65 HA GLU 11 HA GLU 11 -6.877 -9.972 -1.373 66 HB2 GLU 11 HB2 GLU 11 -4.896 -11.212 -2.255 67 HB3 GLU 11 HB1 GLU 11 -4.378 -11.495 -0.600 68 HG2 GLU 11 HG2 GLU 11 -6.399 -12.773 -0.168 69 HG3 GLU 11 HG1 GLU 11 -6.962 -12.446 -1.804 70 H THR 12 H THR 12 -4.843 -8.999 1.209 71 HA THR 12 HA THR 12 -6.075 -10.536 3.279 72 HB THR 12 HB THR 12 -4.496 -7.950 3.434 73 HG1 THR 12 HG1 THR 12 -3.586 -10.630 3.710 74 HG21 THR 12 HG21 THR 12 -5.685 -8.431 5.520 75 HG22 THR 12 HG22 THR 12 -3.954 -8.691 5.745 76 HG23 THR 12 HG23 THR 12 -5.038 -10.067 5.540 77 H SER 13 H SER 13 -6.422 -7.311 1.964 78 HA SER 13 HA SER 13 -8.639 -6.602 3.633 79 HB2 SER 13 HB2 SER 13 -7.034 -4.961 2.650 80 HB3 SER 13 HB1 SER 13 -7.671 -5.390 1.066 81 HG SER 13 HG SER 13 -8.499 -3.550 2.645 82 H GLY 14 H GLY 14 -8.173 -7.831 0.356 83 HA2 GLY 14 HA2 GLY 14 -9.663 -9.302 -0.700 84 HA3 GLY 14 HA1 GLY 14 -10.963 -8.704 0.327 85 H ALA 15 H ALA 15 -8.894 -6.353 -1.037 86 HA ALA 15 HA ALA 15 -10.185 -5.860 -3.498 87 HB1 ALA 15 HB1 ALA 15 -11.070 -4.137 -1.166 88 HB2 ALA 15 HB2 ALA 15 -12.096 -5.234 -2.088 89 HB3 ALA 15 HB3 ALA 15 -11.412 -3.806 -2.864 90 H LYS 16 H LYS 16 -9.680 -3.373 -4.048 91 HA LYS 16 HA LYS 16 -6.882 -3.075 -3.639 92 HB2 LYS 16 HB2 LYS 16 -8.903 -1.340 -5.030 93 HB3 LYS 16 HB1 LYS 16 -7.238 -0.819 -4.807 94 HG2 LYS 16 HG2 LYS 16 -6.480 -2.801 -6.034 95 HG3 LYS 16 HG1 LYS 16 -8.151 -3.278 -6.286 96 HD2 LYS 16 HD2 LYS 16 -6.927 -0.679 -7.248 97 HD3 LYS 16 HD1 LYS 16 -7.106 -2.118 -8.243 98 HE2 LYS 16 HE2 LYS 16 -9.379 -0.582 -6.965 99 HE3 LYS 16 HE1 LYS 16 -8.877 -0.449 -8.645 100 HZ1 LYS 16 HZ1 LYS 16 -9.986 -2.879 -7.333 101 HZ2 LYS 16 HZ2 LYS 16 -9.400 -2.852 -8.887 102 HZ3 LYS 16 HZ3 LYS 16 -10.748 -1.932 -8.495 103 H THR 17 H THR 17 -5.844 -2.218 -2.207 104 HA THR 17 HA THR 17 -7.170 -0.462 -0.290 105 HB THR 17 HB THR 17 -4.729 -2.224 0.016 106 HG1 THR 17 HG1 THR 17 -7.127 -2.952 -0.180 107 HG21 THR 17 HG21 THR 17 -4.973 -1.773 2.414 108 HG22 THR 17 HG22 THR 17 -6.371 -0.748 2.084 109 HG23 THR 17 HG23 THR 17 -4.767 -0.260 1.527 110 H CYS 18 H CYS 18 -6.198 1.522 0.026 111 HA CYS 18 HA CYS 18 -3.876 2.040 -1.648 112 HB2 CYS 18 HB2 CYS 18 -5.882 4.040 -0.680 113 HB3 CYS 18 HB1 CYS 18 -4.592 4.290 -1.814 114 H VAL 19 H VAL 19 -2.455 3.455 -0.823 115 HA VAL 19 HA VAL 19 -2.450 3.797 2.098 116 HB VAL 19 HB VAL 19 0.029 3.337 0.398 117 HG11 VAL 19 HG11 VAL 19 0.423 4.603 2.427 118 HG12 VAL 19 HG12 VAL 19 1.171 3.009 2.533 119 HG13 VAL 19 3HG1 VAL 19 -0.339 3.334 3.386 120 HG21 VAL 19 HG21 VAL 19 -1.277 1.273 0.409 121 HG22 VAL 19 HG22 VAL 19 -1.356 1.321 2.169 122 HG23 VAL 19 HG23 VAL 19 0.194 1.088 1.364 123 HA PRO 20 HA PRO 20 -2.410 5.340 3.482 124 HB2 PRO 20 HB2 PRO 20 -3.811 7.559 4.002 125 HB3 PRO 20 HB1 PRO 20 -2.048 7.508 4.178 126 HG2 PRO 20 HG2 PRO 20 -3.720 8.592 1.940 127 HG3 PRO 20 HG1 PRO 20 -2.284 9.299 2.701 128 HD2 PRO 20 HD2 PRO 20 -2.182 7.980 0.340 129 HD3 PRO 20 HD1 PRO 20 -0.841 7.983 1.499 130 H ASP 21 H ASP 21 -4.495 5.080 4.452 131 HA ASP 21 HA ASP 21 -6.475 3.899 2.921 132 HB2 ASP 21 HB2 ASP 21 -6.260 3.521 5.328 133 HB3 ASP 21 HB1 ASP 21 -6.709 5.202 5.618 134 H ASN 22 H ASN 22 -7.832 4.729 1.616 135 HA ASN 22 HA ASN 22 -8.965 6.157 0.383 136 HB2 ASN 22 HB2 ASN 22 -9.850 7.020 3.133 137 HB3 ASN 22 HB1 ASN 22 -10.523 7.666 1.636 138 HD21 ASN 22 HD21 ASN 22 -10.236 4.811 3.651 139 HD22 ASN 22 HD22 ASN 22 -11.506 3.934 2.893 140 H CYS 23 H CYS 23 -6.517 6.857 0.195 141 HA CYS 23 HA CYS 23 -5.800 9.475 0.693 142 HB2 CYS 23 HB2 CYS 23 -4.474 9.298 -1.420 143 HB3 CYS 23 HB1 CYS 23 -4.257 7.926 -0.334 144 H ASP 24 H ASP 24 -7.849 8.132 -1.651 145 HA ASP 24 HA ASP 24 -8.669 10.711 -2.704 146 HB2 ASP 24 HB2 ASP 24 -8.394 8.890 -4.355 147 HB3 ASP 24 HB1 ASP 24 -9.527 7.894 -3.457 148 H ALA 25 H ALA 25 -9.343 11.294 -0.688 149 HA ALA 25 HA ALA 25 -11.637 9.991 0.467 150 HB1 ALA 25 HB1 ALA 25 -9.983 10.999 1.973 151 HB2 ALA 25 HB2 ALA 25 -11.555 11.777 2.162 152 HB3 ALA 25 HB3 ALA 25 -10.277 12.581 1.249 153 H SER 26 H SER 26 -12.815 10.137 -1.414 154 HA SER 26 HA SER 26 -13.566 12.675 -2.379 155 HB2 SER 26 HB2 SER 26 -15.154 11.073 -3.749 156 HB3 SER 26 HB1 SER 26 -13.439 11.255 -4.126 157 HG SER 26 HG SER 26 -13.094 9.292 -3.568 158 H ARG 27 H ARG 27 -14.260 13.374 -0.374 159 HA ARG 27 HA ARG 27 -17.096 13.549 -0.315 160 HB2 ARG 27 HB2 ARG 27 -16.529 11.612 1.242 161 HB3 ARG 27 HB1 ARG 27 -15.583 12.742 2.193 162 HG2 ARG 27 HG2 ARG 27 -17.539 13.968 2.806 163 HG3 ARG 27 HG1 ARG 27 -18.528 13.036 1.676 164 HD2 ARG 27 HD2 ARG 27 -17.099 11.947 4.097 165 HD3 ARG 27 HD1 ARG 27 -18.836 12.228 3.949 166 HE ARG 27 HE ARG 27 -18.220 10.605 1.851 167 HH11 ARG 27 HH11 ARG 27 -17.959 10.314 5.375 168 HH12 ARG 27 HH12 ARG 27 -18.006 8.611 5.368 169 HH21 ARG 27 HH21 ARG 27 -18.259 8.279 1.857 170 HH22 ARG 27 HH22 ARG 27 -18.172 7.439 3.336 171 H GLY 28 H GLY 28 -16.940 15.650 -0.764 172 HA2 GLY 28 HA2 GLY 28 -16.330 17.869 -0.486 173 HA3 GLY 28 HA1 GLY 28 -15.281 17.404 0.870 174 H THR 29 H THR 29 -15.597 16.277 -2.413 175 HA THR 29 HA THR 29 -12.939 15.477 -2.681 176 HB THR 29 HB THR 29 -14.922 15.870 -4.904 177 HG1 THR 29 HG1 THR 29 -15.987 14.163 -4.182 178 HG21 THR 29 HG21 THR 29 -12.784 13.775 -4.404 179 HG22 THR 29 HG22 THR 29 -12.661 15.104 -5.557 180 HG23 THR 29 HG23 THR 29 -13.860 13.834 -5.800 181 H ASN 30 H ASN 30 -14.283 18.608 -3.169 182 HA ASN 30 HA ASN 30 -12.334 19.296 -5.218 183 HB2 ASN 30 HB2 ASN 30 -14.506 20.980 -3.938 184 HB3 ASN 30 HB1 ASN 30 -13.394 21.571 -5.163 185 HD21 ASN 30 HD21 ASN 30 -16.262 21.418 -5.282 186 HD22 ASN 30 HD22 ASN 30 -16.670 20.416 -6.624 187 HA PRO 31 HA PRO 31 -9.765 20.642 -1.759 188 HB2 PRO 31 HB2 PRO 31 -7.441 20.413 -3.384 189 HB3 PRO 31 HB1 PRO 31 -8.008 19.256 -2.181 190 HG2 PRO 31 HG2 PRO 31 -7.906 18.803 -4.928 191 HG3 PRO 31 HG1 PRO 31 -8.862 17.871 -3.765 192 HD2 PRO 31 HD2 PRO 31 -9.722 20.075 -5.591 193 HD3 PRO 31 HD1 PRO 31 -10.573 18.591 -5.091 Start of MODEL 14 1 H1 ASP 1 HT1 ASP 1 6.649 14.950 6.873 2 H2 ASP 1 HT2 ASP 1 5.114 14.213 6.835 3 H3 ASP 1 HT3 ASP 1 5.348 15.694 6.092 4 HA ASP 1 HA ASP 1 6.719 14.786 4.444 5 HB2 ASP 1 HB2 ASP 1 6.193 12.143 5.858 6 HB3 ASP 1 HB1 ASP 1 6.924 12.295 4.270 7 H VAL 2 H VAL 2 5.740 13.538 2.591 8 HA VAL 2 HA VAL 2 2.829 13.499 2.888 9 HB VAL 2 HB VAL 2 2.661 14.024 0.478 10 HG11 VAL 2 HG11 VAL 2 2.562 15.870 2.040 11 HG12 VAL 2 HG12 VAL 2 3.368 16.372 0.553 12 HG13 VAL 2 3HG1 VAL 2 4.317 16.026 1.998 13 HG21 VAL 2 HG21 VAL 2 4.644 14.782 -0.781 14 HG22 VAL 2 HG22 VAL 2 4.765 13.088 -0.305 15 HG23 VAL 2 HG23 VAL 2 5.664 14.320 0.578 16 H SER 3 H SER 3 1.852 12.020 1.137 17 HA SER 3 HA SER 3 3.578 9.731 0.655 18 HB2 SER 3 HB2 SER 3 0.846 9.559 1.945 19 HB3 SER 3 HB1 SER 3 1.861 8.187 1.490 20 HG SER 3 HG SER 3 3.412 9.645 2.859 21 HA PRO 4 HA PRO 4 1.514 10.443 -3.339 22 HB2 PRO 4 HB2 PRO 4 3.179 8.054 -3.932 23 HB3 PRO 4 HB1 PRO 4 3.067 9.571 -4.827 24 HG2 PRO 4 HG2 PRO 4 5.214 8.994 -3.348 25 HG3 PRO 4 HG1 PRO 4 4.587 10.646 -3.442 26 HD2 PRO 4 HD2 PRO 4 4.343 8.650 -1.240 27 HD3 PRO 4 HD1 PRO 4 4.520 10.414 -1.160 28 H CYS 5 H CYS 5 -0.357 9.491 -3.891 29 HA CYS 5 HA CYS 5 -1.536 7.474 -2.363 30 HB2 CYS 5 HB2 CYS 5 -2.770 9.189 -3.744 31 HB3 CYS 5 HB1 CYS 5 -2.239 8.223 -5.141 32 H PHE 6 H PHE 6 -0.867 5.470 -2.328 33 HA PHE 6 HA PHE 6 -0.475 4.169 -4.911 34 HB2 PHE 6 HB2 PHE 6 1.620 4.486 -3.459 35 HB3 PHE 6 HB1 PHE 6 0.900 3.292 -2.378 36 HD1 PHE 6 HD1 PHE 6 1.301 1.030 -2.773 37 HD2 PHE 6 HD2 PHE 6 1.727 3.854 -5.904 38 HE1 PHE 6 HE1 PHE 6 2.131 -0.746 -4.259 39 HE2 PHE 6 HE2 PHE 6 2.542 2.154 -7.386 40 HZ PHE 6 HZ PHE 6 2.766 -0.206 -6.579 41 H CYS 7 H CYS 7 -1.689 2.395 -5.209 42 HA CYS 7 HA CYS 7 -3.180 1.381 -2.901 43 HB2 CYS 7 HB2 CYS 7 -4.242 1.775 -5.689 44 HB3 CYS 7 HB1 CYS 7 -5.096 1.034 -4.358 45 H VAL 8 H VAL 8 -3.581 -0.754 -2.911 46 HA VAL 8 HA VAL 8 -2.584 -2.385 -5.138 47 HB VAL 8 HB VAL 8 -2.109 -3.198 -2.303 48 HG11 VAL 8 HG11 VAL 8 -0.464 -4.755 -3.255 49 HG12 VAL 8 HG12 VAL 8 -0.884 -4.170 -4.863 50 HG13 VAL 8 3HG1 VAL 8 -2.098 -4.987 -3.878 51 HG21 VAL 8 HG21 VAL 8 0.274 -2.554 -2.461 52 HG22 VAL 8 HG22 VAL 8 -0.791 -1.152 -2.567 53 HG23 VAL 8 HG23 VAL 8 -0.049 -1.807 -4.026 54 H GLU 9 H GLU 9 -3.894 -4.079 -5.442 55 HA GLU 9 HA GLU 9 -6.238 -4.287 -3.712 56 HB2 GLU 9 HB2 GLU 9 -6.554 -4.199 -6.191 57 HB3 GLU 9 HB1 GLU 9 -5.700 -5.735 -6.305 58 HG2 GLU 9 HG2 GLU 9 -7.377 -6.856 -5.057 59 HG3 GLU 9 HG1 GLU 9 -8.176 -5.339 -4.661 60 H ASP 10 H ASP 10 -6.051 -5.483 -2.051 61 HA ASP 10 HA ASP 10 -4.147 -7.689 -2.089 62 HB2 ASP 10 HB2 ASP 10 -3.811 -6.168 -0.261 63 HB3 ASP 10 HB1 ASP 10 -5.512 -6.280 0.197 64 H GLU 11 H GLU 11 -4.722 -9.561 -2.354 65 HA GLU 11 HA GLU 11 -7.369 -10.460 -2.677 66 HB2 GLU 11 HB2 GLU 11 -5.317 -11.394 -3.771 67 HB3 GLU 11 HB1 GLU 11 -4.876 -12.097 -2.226 68 HG2 GLU 11 HG2 GLU 11 -5.888 -13.721 -3.717 69 HG3 GLU 11 HG1 GLU 11 -6.866 -13.475 -2.268 70 H THR 12 H THR 12 -5.179 -10.414 0.056 71 HA THR 12 HA THR 12 -6.495 -12.439 1.550 72 HB THR 12 HB THR 12 -4.685 -10.235 2.551 73 HG1 THR 12 HG1 THR 12 -4.199 -12.772 1.376 74 HG21 THR 12 HG21 THR 12 -5.845 -11.507 4.325 75 HG22 THR 12 HG22 THR 12 -4.118 -11.865 4.314 76 HG23 THR 12 HG23 THR 12 -5.261 -13.015 3.620 77 H SER 13 H SER 13 -6.552 -8.910 1.652 78 HA SER 13 HA SER 13 -8.630 -8.784 3.620 79 HB2 SER 13 HB2 SER 13 -7.649 -6.675 1.730 80 HB3 SER 13 HB1 SER 13 -8.527 -6.401 3.236 81 HG SER 13 HG SER 13 -5.923 -7.491 2.900 82 H GLY 14 H GLY 14 -8.433 -8.993 0.178 83 HA2 GLY 14 HA2 GLY 14 -10.036 -9.241 -1.412 84 HA3 GLY 14 HA1 GLY 14 -11.242 -9.335 -0.124 85 H ALA 15 H ALA 15 -8.931 -6.778 -0.632 86 HA ALA 15 HA ALA 15 -10.828 -4.956 -1.783 87 HB1 ALA 15 HB1 ALA 15 -9.915 -4.535 1.063 88 HB2 ALA 15 HB2 ALA 15 -11.558 -4.922 0.553 89 HB3 ALA 15 HB3 ALA 15 -10.830 -3.382 0.094 90 H LYS 16 H LYS 16 -9.833 -3.084 -2.511 91 HA LYS 16 HA LYS 16 -6.967 -3.074 -2.616 92 HB2 LYS 16 HB2 LYS 16 -8.354 -2.546 -4.603 93 HB3 LYS 16 HB1 LYS 16 -8.986 -1.138 -3.762 94 HG2 LYS 16 HG2 LYS 16 -6.706 -0.227 -3.650 95 HG3 LYS 16 HG1 LYS 16 -6.127 -1.612 -4.562 96 HD2 LYS 16 HD2 LYS 16 -8.175 0.385 -5.554 97 HD3 LYS 16 HD1 LYS 16 -6.479 0.340 -6.031 98 HE2 LYS 16 HE2 LYS 16 -6.828 -1.932 -6.939 99 HE3 LYS 16 HE1 LYS 16 -8.531 -1.822 -6.514 100 HZ1 LYS 16 HZ1 LYS 16 -7.105 -0.079 -8.448 101 HZ2 LYS 16 HZ2 LYS 16 -8.744 0.059 -8.020 102 HZ3 LYS 16 HZ3 LYS 16 -8.206 -1.306 -8.817 103 H THR 17 H THR 17 -5.794 -2.258 -1.240 104 HA THR 17 HA THR 17 -6.820 -0.282 0.638 105 HB THR 17 HB THR 17 -5.908 -2.312 1.642 106 HG1 THR 17 HG1 THR 17 -4.275 -1.402 2.962 107 HG21 THR 17 HG21 THR 17 -3.526 -2.945 1.425 108 HG22 THR 17 HG22 THR 17 -3.313 -1.670 0.225 109 HG23 THR 17 HG23 THR 17 -4.374 -3.035 -0.119 110 H CYS 18 H CYS 18 -5.681 1.673 0.911 111 HA CYS 18 HA CYS 18 -3.597 2.193 -1.081 112 HB2 CYS 18 HB2 CYS 18 -5.802 4.113 -0.414 113 HB3 CYS 18 HB1 CYS 18 -4.498 4.361 -1.534 114 H VAL 19 H VAL 19 -2.354 3.961 -0.645 115 HA VAL 19 HA VAL 19 -2.372 4.962 2.060 116 HB VAL 19 HB VAL 19 -0.725 3.158 2.096 117 HG11 VAL 19 HG11 VAL 19 -0.122 2.998 -0.227 118 HG12 VAL 19 HG12 VAL 19 1.333 3.221 0.749 119 HG13 VAL 19 3HG1 VAL 19 0.666 4.574 -0.163 120 HG21 VAL 19 HG21 VAL 19 0.587 5.869 2.137 121 HG22 VAL 19 HG22 VAL 19 1.257 4.404 2.855 122 HG23 VAL 19 HG23 VAL 19 -0.249 5.083 3.477 123 HA PRO 20 HA PRO 20 -2.175 6.646 3.137 124 HB2 PRO 20 HB2 PRO 20 -3.629 8.898 3.356 125 HB3 PRO 20 HB1 PRO 20 -1.861 8.925 3.418 126 HG2 PRO 20 HG2 PRO 20 -3.690 9.523 1.140 127 HG3 PRO 20 HG1 PRO 20 -2.278 10.427 1.668 128 HD2 PRO 20 HD2 PRO 20 -2.160 8.696 -0.411 129 HD3 PRO 20 HD1 PRO 20 -0.783 8.953 0.674 130 H ASP 21 H ASP 21 -4.268 6.564 4.157 131 HA ASP 21 HA ASP 21 -6.139 4.939 2.910 132 HB2 ASP 21 HB2 ASP 21 -5.873 5.088 5.332 133 HB3 ASP 21 HB1 ASP 21 -6.418 6.759 5.284 134 H ASN 22 H ASN 22 -7.821 5.330 1.625 135 HA ASN 22 HA ASN 22 -9.410 6.249 0.423 136 HB2 ASN 22 HB2 ASN 22 -9.347 8.443 2.494 137 HB3 ASN 22 HB1 ASN 22 -10.466 8.325 1.141 138 HD21 ASN 22 HD21 ASN 22 -10.810 5.440 1.322 139 HD22 ASN 22 HD22 ASN 22 -11.726 5.138 2.723 140 H CYS 23 H CYS 23 -6.427 7.134 0.015 141 HA CYS 23 HA CYS 23 -6.579 9.721 -1.082 142 HB2 CYS 23 HB2 CYS 23 -4.401 9.284 -2.080 143 HB3 CYS 23 HB1 CYS 23 -4.460 8.713 -0.418 144 H ASP 24 H ASP 24 -7.436 6.708 -2.389 145 HA ASP 24 HA ASP 24 -7.290 7.799 -5.074 146 HB2 ASP 24 HB2 ASP 24 -6.471 5.471 -4.764 147 HB3 ASP 24 HB1 ASP 24 -8.100 4.986 -4.308 148 H ALA 25 H ALA 25 -8.720 9.280 -4.527 149 HA ALA 25 HA ALA 25 -11.325 8.748 -5.626 150 HB1 ALA 25 HB1 ALA 25 -12.541 9.798 -3.711 151 HB2 ALA 25 HB2 ALA 25 -11.035 9.765 -2.787 152 HB3 ALA 25 HB3 ALA 25 -11.800 8.256 -3.282 153 H SER 26 H SER 26 -8.832 10.132 -6.099 154 HA SER 26 HA SER 26 -9.834 12.843 -6.264 155 HB2 SER 26 HB2 SER 26 -7.044 12.028 -5.411 156 HB3 SER 26 HB1 SER 26 -7.565 13.685 -5.711 157 HG SER 26 HG SER 26 -9.079 13.442 -4.004 158 H ARG 27 H ARG 27 -10.327 12.553 -8.370 159 HA ARG 27 HA ARG 27 -8.465 11.516 -10.288 160 HB2 ARG 27 HB2 ARG 27 -10.891 11.393 -10.676 161 HB3 ARG 27 HB1 ARG 27 -10.985 13.147 -10.654 162 HG2 ARG 27 HG2 ARG 27 -9.474 13.185 -12.638 163 HG3 ARG 27 HG1 ARG 27 -9.604 11.428 -12.698 164 HD2 ARG 27 HD2 ARG 27 -11.160 12.468 -14.254 165 HD3 ARG 27 HD1 ARG 27 -12.025 11.621 -12.975 166 HE ARG 27 HE ARG 27 -12.255 13.873 -11.897 167 HH11 ARG 27 HH11 ARG 27 -11.824 13.700 -15.403 168 HH12 ARG 27 HH12 ARG 27 -12.769 15.066 -15.733 169 HH21 ARG 27 HH21 ARG 27 -13.553 15.735 -12.340 170 HH22 ARG 27 HH22 ARG 27 -13.760 16.293 -13.940 171 H GLY 28 H GLY 28 -9.426 14.553 -9.047 172 HA2 GLY 28 HA2 GLY 28 -8.076 16.479 -9.007 173 HA3 GLY 28 HA1 GLY 28 -7.195 15.854 -10.404 174 H THR 29 H THR 29 -10.084 17.443 -9.320 175 HA THR 29 HA THR 29 -11.425 17.627 -11.773 176 HB THR 29 HB THR 29 -11.478 19.549 -9.433 177 HG1 THR 29 HG1 THR 29 -13.392 18.124 -8.985 178 HG21 THR 29 HG21 THR 29 -13.538 18.913 -11.563 179 HG22 THR 29 HG22 THR 29 -12.610 20.409 -11.447 180 HG23 THR 29 HG23 THR 29 -13.785 20.000 -10.196 181 H ASN 30 H ASN 30 -9.224 19.853 -10.109 182 HA ASN 30 HA ASN 30 -8.596 20.953 -12.737 183 HB2 ASN 30 HB2 ASN 30 -9.778 22.642 -11.352 184 HB3 ASN 30 HB1 ASN 30 -8.549 22.459 -10.110 185 HD21 ASN 30 HD21 ASN 30 -6.525 23.392 -10.410 186 HD22 ASN 30 HD22 ASN 30 -6.210 24.513 -11.678 187 HA PRO 31 HA PRO 31 -4.760 19.034 -11.307 188 HB2 PRO 31 HB2 PRO 31 -4.143 19.362 -14.184 189 HB3 PRO 31 HB1 PRO 31 -4.055 17.904 -13.190 190 HG2 PRO 31 HG2 PRO 31 -5.975 18.212 -15.026 191 HG3 PRO 31 HG1 PRO 31 -6.300 17.416 -13.476 192 HD2 PRO 31 HD2 PRO 31 -6.939 20.211 -14.334 193 HD3 PRO 31 HD1 PRO 31 -7.928 19.055 -13.414 Start of MODEL 15 1 H1 ASP 1 HT1 ASP 1 8.114 13.834 5.151 2 H2 ASP 1 HT2 ASP 1 9.208 12.874 6.033 3 H3 ASP 1 HT3 ASP 1 7.661 13.223 6.660 4 HA ASP 1 HA ASP 1 8.180 11.704 4.209 5 HB2 ASP 1 HB2 ASP 1 8.887 10.428 6.181 6 HB3 ASP 1 HB1 ASP 1 7.331 10.756 6.942 7 H VAL 2 H VAL 2 6.568 11.988 2.890 8 HA VAL 2 HA VAL 2 3.885 12.189 4.027 9 HB VAL 2 HB VAL 2 4.577 14.262 2.800 10 HG11 VAL 2 HG11 VAL 2 4.867 14.241 0.363 11 HG12 VAL 2 HG12 VAL 2 4.870 12.477 0.405 12 HG13 VAL 2 3HG1 VAL 2 6.142 13.380 1.225 13 HG21 VAL 2 HG21 VAL 2 2.414 12.692 1.397 14 HG22 VAL 2 HG22 VAL 2 2.640 14.437 1.280 15 HG23 VAL 2 HG23 VAL 2 2.216 13.704 2.828 16 H SER 3 H SER 3 2.320 10.823 3.019 17 HA SER 3 HA SER 3 3.559 8.500 1.832 18 HB2 SER 3 HB2 SER 3 0.714 8.959 2.741 19 HB3 SER 3 HB1 SER 3 1.476 7.406 2.386 20 HG SER 3 HG SER 3 1.340 8.028 4.640 21 HA PRO 4 HA PRO 4 2.205 10.077 -2.272 22 HB2 PRO 4 HB2 PRO 4 3.289 7.435 -3.056 23 HB3 PRO 4 HB1 PRO 4 3.702 9.021 -3.705 24 HG2 PRO 4 HG2 PRO 4 5.411 7.717 -2.150 25 HG3 PRO 4 HG1 PRO 4 5.193 9.465 -1.965 26 HD2 PRO 4 HD2 PRO 4 4.089 7.239 -0.295 27 HD3 PRO 4 HD1 PRO 4 4.796 8.792 0.206 28 H CYS 5 H CYS 5 0.510 9.392 -3.676 29 HA CYS 5 HA CYS 5 -1.415 7.705 -2.428 30 HB2 CYS 5 HB2 CYS 5 -2.083 9.680 -3.767 31 HB3 CYS 5 HB1 CYS 5 -1.431 8.869 -5.192 32 H PHE 6 H PHE 6 -0.991 5.563 -2.371 33 HA PHE 6 HA PHE 6 -0.773 4.322 -4.995 34 HB2 PHE 6 HB2 PHE 6 1.436 4.439 -3.656 35 HB3 PHE 6 HB1 PHE 6 0.704 3.210 -2.630 36 HD1 PHE 6 HD1 PHE 6 1.622 3.997 -6.101 37 HD2 PHE 6 HD2 PHE 6 0.734 0.946 -3.280 38 HE1 PHE 6 HE1 PHE 6 2.318 2.334 -7.724 39 HE2 PHE 6 HE2 PHE 6 1.435 -0.761 -4.906 40 HZ PHE 6 HZ PHE 6 2.232 -0.081 -7.139 41 H CYS 7 H CYS 7 -2.344 2.886 -5.276 42 HA CYS 7 HA CYS 7 -3.602 1.734 -2.896 43 HB2 CYS 7 HB2 CYS 7 -4.768 2.153 -5.638 44 HB3 CYS 7 HB1 CYS 7 -5.574 1.335 -4.320 45 H VAL 8 H VAL 8 -4.067 -0.418 -2.892 46 HA VAL 8 HA VAL 8 -2.933 -2.071 -5.040 47 HB VAL 8 HB VAL 8 -2.632 -2.769 -2.139 48 HG11 VAL 8 HG11 VAL 8 -0.923 -4.344 -2.897 49 HG12 VAL 8 HG12 VAL 8 -1.239 -3.853 -4.560 50 HG13 VAL 8 3HG1 VAL 8 -2.508 -4.635 -3.617 51 HG21 VAL 8 HG21 VAL 8 -1.321 -0.732 -2.413 52 HG22 VAL 8 HG22 VAL 8 -0.498 -1.428 -3.809 53 HG23 VAL 8 HG23 VAL 8 -0.247 -2.114 -2.204 54 H GLU 9 H GLU 9 -4.135 -3.883 -5.333 55 HA GLU 9 HA GLU 9 -6.611 -4.154 -3.787 56 HB2 GLU 9 HB2 GLU 9 -6.667 -4.312 -6.307 57 HB3 GLU 9 HB1 GLU 9 -5.659 -5.750 -6.179 58 HG2 GLU 9 HG2 GLU 9 -7.373 -6.871 -4.900 59 HG3 GLU 9 HG1 GLU 9 -8.374 -5.426 -4.951 60 H ASP 10 H ASP 10 -6.302 -5.180 -1.950 61 HA ASP 10 HA ASP 10 -4.070 -6.985 -1.742 62 HB2 ASP 10 HB2 ASP 10 -4.236 -5.377 0.029 63 HB3 ASP 10 HB1 ASP 10 -5.908 -5.823 0.344 64 H GLU 11 H GLU 11 -4.217 -8.953 -1.911 65 HA GLU 11 HA GLU 11 -6.664 -10.324 -2.360 66 HB2 GLU 11 HB2 GLU 11 -5.283 -12.325 -2.550 67 HB3 GLU 11 HB1 GLU 11 -4.628 -10.995 -3.486 68 HG2 GLU 11 HG2 GLU 11 -2.933 -10.585 -1.818 69 HG3 GLU 11 HG1 GLU 11 -3.637 -11.806 -0.760 70 H THR 12 H THR 12 -4.674 -9.792 0.413 71 HA THR 12 HA THR 12 -5.433 -11.981 2.002 72 HB THR 12 HB THR 12 -4.614 -9.272 3.008 73 HG1 THR 12 HG1 THR 12 -3.049 -9.448 1.636 74 HG21 THR 12 HG21 THR 12 -3.345 -10.610 4.634 75 HG22 THR 12 HG22 THR 12 -3.880 -12.088 3.835 76 HG23 THR 12 HG23 THR 12 -5.053 -11.054 4.654 77 H SER 13 H SER 13 -6.486 -8.586 1.930 78 HA SER 13 HA SER 13 -8.713 -8.998 3.691 79 HB2 SER 13 HB2 SER 13 -8.184 -6.715 1.830 80 HB3 SER 13 HB1 SER 13 -9.169 -6.688 3.295 81 HG SER 13 HG SER 13 -6.368 -6.910 3.028 82 H GLY 14 H GLY 14 -8.154 -8.858 0.244 83 HA2 GLY 14 HA2 GLY 14 -9.515 -9.737 -1.406 84 HA3 GLY 14 HA1 GLY 14 -10.803 -9.903 -0.214 85 H ALA 15 H ALA 15 -9.004 -6.961 -0.550 86 HA ALA 15 HA ALA 15 -10.961 -5.660 -2.218 87 HB1 ALA 15 HB1 ALA 15 -12.134 -5.645 -0.086 88 HB2 ALA 15 HB2 ALA 15 -11.611 -4.006 -0.495 89 HB3 ALA 15 HB3 ALA 15 -10.719 -4.953 0.696 90 H LYS 16 H LYS 16 -10.359 -3.426 -2.640 91 HA LYS 16 HA LYS 16 -7.556 -2.962 -2.810 92 HB2 LYS 16 HB2 LYS 16 -9.125 -2.179 -4.540 93 HB3 LYS 16 HB1 LYS 16 -9.898 -1.130 -3.362 94 HG2 LYS 16 HG2 LYS 16 -7.679 0.025 -3.076 95 HG3 LYS 16 HG1 LYS 16 -7.094 -0.915 -4.445 96 HD2 LYS 16 HD2 LYS 16 -9.425 1.009 -4.488 97 HD3 LYS 16 HD1 LYS 16 -7.812 1.339 -5.112 98 HE2 LYS 16 HE2 LYS 16 -8.094 -0.503 -6.723 99 HE3 LYS 16 HE1 LYS 16 -9.727 -0.765 -6.110 100 HZ1 LYS 16 HZ1 LYS 16 -10.279 1.507 -6.791 101 HZ2 LYS 16 HZ2 LYS 16 -9.777 0.603 -8.108 102 HZ3 LYS 16 HZ3 LYS 16 -8.735 1.714 -7.401 103 H THR 17 H THR 17 -6.307 -1.960 -1.501 104 HA THR 17 HA THR 17 -7.448 -0.249 0.546 105 HB THR 17 HB THR 17 -6.785 -2.284 1.667 106 HG1 THR 17 HG1 THR 17 -4.490 -0.982 2.337 107 HG21 THR 17 HG21 THR 17 -4.498 -3.206 1.546 108 HG22 THR 17 HG22 THR 17 -4.097 -2.004 0.317 109 HG23 THR 17 HG23 THR 17 -5.309 -3.238 -0.021 110 H CYS 18 H CYS 18 -6.267 1.628 0.852 111 HA CYS 18 HA CYS 18 -4.045 1.956 -1.039 112 HB2 CYS 18 HB2 CYS 18 -5.881 4.160 -0.188 113 HB3 CYS 18 HB1 CYS 18 -4.624 4.227 -1.381 114 H VAL 19 H VAL 19 -2.504 3.401 -0.495 115 HA VAL 19 HA VAL 19 -2.253 4.046 2.352 116 HB VAL 19 HB VAL 19 0.024 3.081 0.583 117 HG11 VAL 19 HG11 VAL 19 0.748 4.639 2.289 118 HG12 VAL 19 HG12 VAL 19 1.334 3.016 2.655 119 HG13 VAL 19 3HG1 VAL 19 -0.044 3.675 3.535 120 HG21 VAL 19 HG21 VAL 19 0.068 1.047 1.970 121 HG22 VAL 19 HG22 VAL 19 -1.447 1.208 1.082 122 HG23 VAL 19 HG23 VAL 19 -1.387 1.598 2.800 123 HA PRO 20 HA PRO 20 -2.538 5.720 3.318 124 HB2 PRO 20 HB2 PRO 20 -3.746 8.112 3.394 125 HB3 PRO 20 HB1 PRO 20 -2.045 7.907 3.852 126 HG2 PRO 20 HG2 PRO 20 -3.243 8.924 1.310 127 HG3 PRO 20 HG1 PRO 20 -1.840 9.532 2.200 128 HD2 PRO 20 HD2 PRO 20 -1.609 7.949 -0.010 129 HD3 PRO 20 HD1 PRO 20 -0.427 7.961 1.299 130 H ASP 21 H ASP 21 -4.830 5.849 3.937 131 HA ASP 21 HA ASP 21 -6.527 4.692 2.013 132 HB2 ASP 21 HB2 ASP 21 -6.868 4.279 4.414 133 HB3 ASP 21 HB1 ASP 21 -7.249 5.986 4.642 134 H ASN 22 H ASN 22 -7.724 5.535 0.530 135 HA ASN 22 HA ASN 22 -8.560 6.936 -0.906 136 HB2 ASN 22 HB2 ASN 22 -9.446 8.260 1.638 137 HB3 ASN 22 HB1 ASN 22 -9.855 8.872 0.036 138 HD21 ASN 22 HD21 ASN 22 -10.235 6.216 2.242 139 HD22 ASN 22 HD22 ASN 22 -11.603 5.532 1.474 140 H CYS 23 H CYS 23 -5.915 7.208 -0.701 141 HA CYS 23 HA CYS 23 -5.059 9.832 -0.494 142 HB2 CYS 23 HB2 CYS 23 -3.178 9.138 -1.955 143 HB3 CYS 23 HB1 CYS 23 -3.498 8.010 -0.640 144 H ASP 24 H ASP 24 -6.708 8.220 -3.009 145 HA ASP 24 HA ASP 24 -6.724 10.704 -4.506 146 HB2 ASP 24 HB2 ASP 24 -7.363 7.920 -5.428 147 HB3 ASP 24 HB1 ASP 24 -8.123 9.276 -6.249 148 H ALA 25 H ALA 25 -7.849 11.648 -2.964 149 HA ALA 25 HA ALA 25 -10.763 11.258 -3.224 150 HB1 ALA 25 HB1 ALA 25 -11.048 11.931 -0.902 151 HB2 ALA 25 HB2 ALA 25 -9.301 12.093 -0.724 152 HB3 ALA 25 HB3 ALA 25 -10.014 10.507 -1.025 153 H SER 26 H SER 26 -8.437 13.129 -4.235 154 HA SER 26 HA SER 26 -9.829 15.597 -3.583 155 HB2 SER 26 HB2 SER 26 -7.001 15.241 -4.605 156 HB3 SER 26 HB1 SER 26 -7.741 16.771 -4.126 157 HG SER 26 HG SER 26 -6.453 15.086 -2.579 158 H ARG 27 H ARG 27 -9.638 13.368 -5.809 159 HA ARG 27 HA ARG 27 -10.907 14.940 -7.897 160 HB2 ARG 27 HB2 ARG 27 -8.389 13.349 -8.472 161 HB3 ARG 27 HB1 ARG 27 -9.477 13.951 -9.701 162 HG2 ARG 27 HG2 ARG 27 -8.912 16.244 -9.058 163 HG3 ARG 27 HG1 ARG 27 -7.828 15.612 -7.814 164 HD2 ARG 27 HD2 ARG 27 -6.564 14.423 -9.566 165 HD3 ARG 27 HD1 ARG 27 -7.595 15.151 -10.790 166 HE ARG 27 HE ARG 27 -6.568 17.242 -9.339 167 HH11 ARG 27 HH11 ARG 27 -5.334 14.661 -11.392 168 HH12 ARG 27 HH12 ARG 27 -3.849 15.397 -11.727 169 HH21 ARG 27 HH21 ARG 27 -4.548 18.346 -9.852 170 HH22 ARG 27 HH22 ARG 27 -3.389 17.582 -10.822 171 H GLY 28 H GLY 28 -12.590 13.745 -8.551 172 HA2 GLY 28 HA2 GLY 28 -13.366 11.778 -9.679 173 HA3 GLY 28 HA1 GLY 28 -12.253 10.832 -8.703 174 H THR 29 H THR 29 -14.290 9.605 -8.444 175 HA THR 29 HA THR 29 -16.006 10.722 -6.361 176 HB THR 29 HB THR 29 -16.494 8.404 -8.254 177 HG1 THR 29 HG1 THR 29 -17.742 10.955 -8.291 178 HG21 THR 29 HG21 THR 29 -17.748 8.208 -6.156 179 HG22 THR 29 HG22 THR 29 -18.837 8.579 -7.494 180 HG23 THR 29 HG23 THR 29 -18.371 9.843 -6.356 181 H ASN 30 H ASN 30 -15.336 10.050 -4.402 182 HA ASN 30 HA ASN 30 -14.565 7.249 -4.088 183 HB2 ASN 30 HB2 ASN 30 -12.856 7.855 -2.451 184 HB3 ASN 30 HB1 ASN 30 -12.536 8.724 -3.945 185 HD21 ASN 30 HD21 ASN 30 -13.361 8.997 -0.595 186 HD22 ASN 30 HD22 ASN 30 -13.304 10.716 -0.504 187 HA PRO 31 HA PRO 31 -17.649 7.599 -0.838 188 HB2 PRO 31 HB2 PRO 31 -16.586 5.221 0.436 189 HB3 PRO 31 HB1 PRO 31 -18.096 5.401 -0.454 190 HG2 PRO 31 HG2 PRO 31 -15.956 3.937 -1.348 191 HG3 PRO 31 HG1 PRO 31 -17.180 4.657 -2.401 192 HD2 PRO 31 HD2 PRO 31 -14.403 5.581 -1.827 193 HD3 PRO 31 HD1 PRO 31 -15.367 5.670 -3.311 Start of MODEL 16 1 H1 ASP 1 HT1 ASP 1 -1.052 17.841 5.152 2 H2 ASP 1 HT2 ASP 1 -1.611 16.291 4.689 3 H3 ASP 1 HT3 ASP 1 -2.318 17.648 4.063 4 HA ASP 1 HA ASP 1 -0.448 18.228 2.808 5 HB2 ASP 1 HB2 ASP 1 0.801 15.798 4.102 6 HB3 ASP 1 HB1 ASP 1 1.457 16.597 2.679 7 H VAL 2 H VAL 2 -0.316 17.423 0.714 8 HA VAL 2 HA VAL 2 -2.209 15.302 0.192 9 HB VAL 2 HB VAL 2 -0.557 16.824 -1.847 10 HG11 VAL 2 HG11 VAL 2 -1.548 14.761 -2.654 11 HG12 VAL 2 HG12 VAL 2 -2.316 16.162 -3.404 12 HG13 VAL 2 3HG1 VAL 2 -3.139 15.292 -2.108 13 HG21 VAL 2 HG21 VAL 2 -3.324 17.474 -0.847 14 HG22 VAL 2 HG22 VAL 2 -2.482 18.300 -2.159 15 HG23 VAL 2 HG23 VAL 2 -1.866 18.405 -0.511 16 H SER 3 H SER 3 -1.231 13.504 0.890 17 HA SER 3 HA SER 3 1.500 12.922 0.319 18 HB2 SER 3 HB2 SER 3 0.241 12.235 2.407 19 HB3 SER 3 HB1 SER 3 -0.644 11.086 1.415 20 HG SER 3 HG SER 3 2.065 11.132 2.131 21 HA PRO 4 HA PRO 4 0.756 11.141 -3.769 22 HB2 PRO 4 HB2 PRO 4 3.201 9.585 -3.112 23 HB3 PRO 4 HB1 PRO 4 2.864 10.602 -4.517 24 HG2 PRO 4 HG2 PRO 4 4.522 11.438 -2.606 25 HG3 PRO 4 HG1 PRO 4 3.397 12.561 -3.391 26 HD2 PRO 4 HD2 PRO 4 3.218 11.265 -0.702 27 HD3 PRO 4 HD1 PRO 4 2.797 12.919 -1.205 28 H CYS 5 H CYS 5 -0.502 9.468 -4.211 29 HA CYS 5 HA CYS 5 -0.647 7.392 -2.178 30 HB2 CYS 5 HB2 CYS 5 -2.644 8.707 -2.411 31 HB3 CYS 5 HB1 CYS 5 -2.741 8.296 -4.120 32 H PHE 6 H PHE 6 -0.597 5.334 -2.613 33 HA PHE 6 HA PHE 6 -0.717 4.426 -5.356 34 HB2 PHE 6 HB2 PHE 6 1.099 2.765 -4.928 35 HB3 PHE 6 HB1 PHE 6 1.684 4.416 -4.849 36 HD1 PHE 6 HD1 PHE 6 1.240 1.296 -3.077 37 HD2 PHE 6 HD2 PHE 6 2.238 5.411 -2.632 38 HE1 PHE 6 HE1 PHE 6 2.256 0.811 -0.891 39 HE2 PHE 6 HE2 PHE 6 3.249 4.933 -0.445 40 HZ PHE 6 HZ PHE 6 3.262 2.631 0.428 41 H CYS 7 H CYS 7 -1.799 2.464 -5.563 42 HA CYS 7 HA CYS 7 -3.036 1.516 -3.079 43 HB2 CYS 7 HB2 CYS 7 -4.282 1.651 -5.819 44 HB3 CYS 7 HB1 CYS 7 -5.045 1.051 -4.361 45 H VAL 8 H VAL 8 -3.463 -0.646 -2.917 46 HA VAL 8 HA VAL 8 -2.454 -2.440 -5.023 47 HB VAL 8 HB VAL 8 -2.040 -3.039 -2.118 48 HG11 VAL 8 HG11 VAL 8 -0.363 -4.643 -2.905 49 HG12 VAL 8 HG12 VAL 8 -0.746 -4.184 -4.564 50 HG13 VAL 8 3HG1 VAL 8 -1.979 -4.933 -3.550 51 HG21 VAL 8 HG21 VAL 8 0.046 -1.733 -3.878 52 HG22 VAL 8 HG22 VAL 8 0.357 -2.405 -2.278 53 HG23 VAL 8 HG23 VAL 8 -0.719 -1.019 -2.461 54 H GLU 9 H GLU 9 -3.736 -4.251 -5.173 55 HA GLU 9 HA GLU 9 -6.148 -4.264 -3.527 56 HB2 GLU 9 HB2 GLU 9 -6.368 -4.538 -6.010 57 HB3 GLU 9 HB1 GLU 9 -5.482 -6.054 -5.864 58 HG2 GLU 9 HG2 GLU 9 -7.212 -6.980 -4.457 59 HG3 GLU 9 HG1 GLU 9 -8.089 -5.456 -4.483 60 H ASP 10 H ASP 10 -6.026 -5.270 -1.677 61 HA ASP 10 HA ASP 10 -4.079 -7.387 -1.412 62 HB2 ASP 10 HB2 ASP 10 -4.300 -5.746 0.445 63 HB3 ASP 10 HB1 ASP 10 -5.957 -6.304 0.694 64 H GLU 11 H GLU 11 -4.557 -9.292 -1.872 65 HA GLU 11 HA GLU 11 -7.219 -10.031 -2.553 66 HB2 GLU 11 HB2 GLU 11 -5.059 -10.768 -3.683 67 HB3 GLU 11 HB1 GLU 11 -4.836 -11.857 -2.326 68 HG2 GLU 11 HG2 GLU 11 -5.789 -13.070 -4.148 69 HG3 GLU 11 HG1 GLU 11 -7.003 -12.914 -2.878 70 H THR 12 H THR 12 -5.288 -10.258 0.361 71 HA THR 12 HA THR 12 -6.573 -12.586 1.404 72 HB THR 12 HB THR 12 -5.034 -10.411 2.840 73 HG1 THR 12 HG1 THR 12 -3.248 -11.880 2.568 74 HG21 THR 12 HG21 THR 12 -5.537 -13.299 3.577 75 HG22 THR 12 HG22 THR 12 -6.290 -11.896 4.336 76 HG23 THR 12 HG23 THR 12 -4.553 -12.160 4.494 77 H SER 13 H SER 13 -6.836 -9.113 1.794 78 HA SER 13 HA SER 13 -9.086 -9.273 3.596 79 HB2 SER 13 HB2 SER 13 -7.957 -6.889 2.192 80 HB3 SER 13 HB1 SER 13 -8.860 -6.915 3.712 81 HG SER 13 HG SER 13 -6.253 -7.925 3.198 82 H GLY 14 H GLY 14 -8.507 -9.098 0.223 83 HA2 GLY 14 HA2 GLY 14 -9.952 -9.329 -1.532 84 HA3 GLY 14 HA1 GLY 14 -11.288 -9.353 -0.386 85 H ALA 15 H ALA 15 -8.987 -6.760 -0.343 86 HA ALA 15 HA ALA 15 -10.775 -5.019 -1.818 87 HB1 ALA 15 HB1 ALA 15 -11.755 -5.038 0.420 88 HB2 ALA 15 HB2 ALA 15 -11.080 -3.456 0.025 89 HB3 ALA 15 HB3 ALA 15 -10.204 -4.545 1.100 90 H LYS 16 H LYS 16 -9.819 -3.174 -2.541 91 HA LYS 16 HA LYS 16 -6.957 -3.058 -2.511 92 HB2 LYS 16 HB2 LYS 16 -8.293 -2.561 -4.542 93 HB3 LYS 16 HB1 LYS 16 -9.012 -1.189 -3.714 94 HG2 LYS 16 HG2 LYS 16 -6.792 -0.154 -3.562 95 HG3 LYS 16 HG1 LYS 16 -6.100 -1.536 -4.401 96 HD2 LYS 16 HD2 LYS 16 -6.349 0.079 -6.087 97 HD3 LYS 16 HD1 LYS 16 -7.732 -0.982 -6.300 98 HE2 LYS 16 HE2 LYS 16 -7.800 1.672 -4.845 99 HE3 LYS 16 HE1 LYS 16 -8.246 1.456 -6.525 100 HZ1 LYS 16 HZ1 LYS 16 -10.190 1.517 -5.219 101 HZ2 LYS 16 HZ2 LYS 16 -9.636 0.403 -4.125 102 HZ3 LYS 16 HZ3 LYS 16 -10.030 -0.091 -5.704 103 H THR 17 H THR 17 -5.714 -1.917 -1.345 104 HA THR 17 HA THR 17 -6.936 0.120 0.330 105 HB THR 17 HB THR 17 -6.235 -1.831 1.685 106 HG1 THR 17 HG1 THR 17 -6.061 -0.057 2.811 107 HG21 THR 17 HG21 THR 17 -3.450 -1.271 0.636 108 HG22 THR 17 HG22 THR 17 -4.421 -2.698 0.276 109 HG23 THR 17 HG23 THR 17 -3.844 -2.414 1.919 110 H CYS 18 H CYS 18 -5.719 1.998 0.554 111 HA CYS 18 HA CYS 18 -3.535 2.266 -1.377 112 HB2 CYS 18 HB2 CYS 18 -5.586 4.333 -0.647 113 HB3 CYS 18 HB1 CYS 18 -4.316 4.519 -1.815 114 H VAL 19 H VAL 19 -2.173 4.061 -0.879 115 HA VAL 19 HA VAL 19 -2.067 4.727 1.970 116 HB VAL 19 HB VAL 19 0.359 4.154 0.226 117 HG11 VAL 19 HG11 VAL 19 0.179 4.768 3.175 118 HG12 VAL 19 HG12 VAL 19 0.787 5.845 1.921 119 HG13 VAL 19 3HG1 VAL 19 1.654 4.356 2.296 120 HG21 VAL 19 HG21 VAL 19 -0.796 2.505 2.475 121 HG22 VAL 19 HG22 VAL 19 0.723 2.172 1.638 122 HG23 VAL 19 HG23 VAL 19 -0.807 2.077 0.765 123 HA PRO 20 HA PRO 20 -2.418 6.337 3.082 124 HB2 PRO 20 HB2 PRO 20 -4.102 8.421 3.300 125 HB3 PRO 20 HB1 PRO 20 -2.373 8.563 3.628 126 HG2 PRO 20 HG2 PRO 20 -3.910 9.306 1.169 127 HG3 PRO 20 HG1 PRO 20 -2.639 10.219 1.987 128 HD2 PRO 20 HD2 PRO 20 -2.162 8.738 -0.236 129 HD3 PRO 20 HD1 PRO 20 -0.945 8.961 1.036 130 H ASP 21 H ASP 21 -4.485 5.801 3.832 131 HA ASP 21 HA ASP 21 -6.067 4.415 1.925 132 HB2 ASP 21 HB2 ASP 21 -5.681 3.560 4.196 133 HB3 ASP 21 HB1 ASP 21 -6.501 4.975 4.843 134 H ASN 22 H ASN 22 -7.802 5.067 0.871 135 HA ASN 22 HA ASN 22 -9.425 6.270 0.007 136 HB2 ASN 22 HB2 ASN 22 -9.578 7.382 2.786 137 HB3 ASN 22 HB1 ASN 22 -10.542 7.992 1.435 138 HD21 ASN 22 HD21 ASN 22 -12.142 6.752 0.618 139 HD22 ASN 22 HD22 ASN 22 -12.765 5.357 1.415 140 H CYS 23 H CYS 23 -6.662 7.093 -0.163 141 HA CYS 23 HA CYS 23 -6.212 9.803 -0.067 142 HB2 CYS 23 HB2 CYS 23 -4.563 9.364 -1.853 143 HB3 CYS 23 HB1 CYS 23 -4.479 8.213 -0.523 144 H ASP 24 H ASP 24 -7.639 7.984 -2.603 145 HA ASP 24 HA ASP 24 -8.010 10.405 -4.165 146 HB2 ASP 24 HB2 ASP 24 -7.012 8.525 -5.402 147 HB3 ASP 24 HB1 ASP 24 -8.439 7.548 -5.078 148 H ALA 25 H ALA 25 -9.430 11.137 -2.796 149 HA ALA 25 HA ALA 25 -12.121 9.995 -2.703 150 HB1 ALA 25 HB1 ALA 25 -10.923 12.460 -1.422 151 HB2 ALA 25 HB2 ALA 25 -11.165 10.899 -0.637 152 HB3 ALA 25 HB3 ALA 25 -12.557 11.862 -1.136 153 H SER 26 H SER 26 -11.032 10.849 -5.214 154 HA SER 26 HA SER 26 -12.218 13.426 -5.808 155 HB2 SER 26 HB2 SER 26 -10.949 11.589 -7.800 156 HB3 SER 26 HB1 SER 26 -10.957 13.350 -7.767 157 HG SER 26 HG SER 26 -9.131 11.684 -6.823 158 H ARG 27 H ARG 27 -13.372 10.531 -5.438 159 HA ARG 27 HA ARG 27 -15.636 10.981 -7.137 160 HB2 ARG 27 HB2 ARG 27 -14.237 9.907 -8.750 161 HB3 ARG 27 HB1 ARG 27 -13.817 8.632 -7.617 162 HG2 ARG 27 HG2 ARG 27 -16.054 7.795 -7.661 163 HG3 ARG 27 HG1 ARG 27 -16.567 9.131 -8.692 164 HD2 ARG 27 HD2 ARG 27 -15.175 8.371 -10.477 165 HD3 ARG 27 HD1 ARG 27 -14.436 7.144 -9.447 166 HE ARG 27 HE ARG 27 -17.243 6.823 -9.634 167 HH11 ARG 27 HH11 ARG 27 -14.310 6.378 -11.553 168 HH12 ARG 27 HH12 ARG 27 -14.823 4.932 -12.280 169 HH21 ARG 27 HH21 ARG 27 -17.989 4.889 -10.662 170 HH22 ARG 27 HH22 ARG 27 -16.970 4.056 -11.777 171 H GLY 28 H GLY 28 -17.397 10.327 -6.139 172 HA2 GLY 28 HA2 GLY 28 -18.807 8.894 -4.976 173 HA3 GLY 28 HA1 GLY 28 -17.420 7.903 -4.559 174 H THR 29 H THR 29 -16.726 11.092 -3.853 175 HA THR 29 HA THR 29 -17.151 10.528 -1.053 176 HB THR 29 HB THR 29 -15.619 12.762 -2.404 177 HG1 THR 29 HG1 THR 29 -15.067 10.138 -1.640 178 HG21 THR 29 HG21 THR 29 -16.280 13.279 -0.087 179 HG22 THR 29 HG22 THR 29 -14.540 13.003 -0.194 180 HG23 THR 29 HG23 THR 29 -15.599 11.747 0.455 181 H ASN 30 H ASN 30 -19.181 10.971 -0.521 182 HA ASN 30 HA ASN 30 -20.367 13.477 -1.435 183 HB2 ASN 30 HB2 ASN 30 -21.690 10.983 -0.307 184 HB3 ASN 30 HB1 ASN 30 -22.538 12.441 -0.799 185 HD21 ASN 30 HD21 ASN 30 -22.689 9.664 -1.769 186 HD22 ASN 30 HD22 ASN 30 -22.406 9.743 -3.465 187 HA PRO 31 HA PRO 31 -19.830 15.047 2.689 188 HB2 PRO 31 HB2 PRO 31 -22.256 16.647 2.358 189 HB3 PRO 31 HB1 PRO 31 -20.587 17.178 2.543 190 HG2 PRO 31 HG2 PRO 31 -21.947 17.382 0.217 191 HG3 PRO 31 HG1 PRO 31 -20.191 17.168 0.291 192 HD2 PRO 31 HD2 PRO 31 -22.326 15.189 -0.352 193 HD3 PRO 31 HD1 PRO 31 -20.682 15.349 -1.004 Start of MODEL 17 1 H1 ASP 1 HT1 ASP 1 10.050 12.159 4.451 2 H2 ASP 1 HT2 ASP 1 9.583 12.594 6.037 3 H3 ASP 1 HT3 ASP 1 8.855 13.317 4.678 4 HA ASP 1 HA ASP 1 8.688 10.456 5.266 5 HB2 ASP 1 HB2 ASP 1 7.429 11.639 6.968 6 HB3 ASP 1 HB1 ASP 1 6.686 12.672 5.751 7 H VAL 2 H VAL 2 8.295 9.368 3.514 8 HA VAL 2 HA VAL 2 7.197 10.817 1.260 9 HB VAL 2 HB VAL 2 9.289 9.706 0.720 10 HG11 VAL 2 HG11 VAL 2 9.319 7.984 2.426 11 HG12 VAL 2 HG12 VAL 2 9.616 7.294 0.832 12 HG13 VAL 2 3HG1 VAL 2 8.034 7.112 1.592 13 HG21 VAL 2 HG21 VAL 2 8.602 8.287 -1.170 14 HG22 VAL 2 HG22 VAL 2 7.633 9.758 -1.054 15 HG23 VAL 2 HG23 VAL 2 6.969 8.219 -0.507 16 H SER 3 H SER 3 5.100 10.808 1.297 17 HA SER 3 HA SER 3 3.765 8.237 1.481 18 HB2 SER 3 HB2 SER 3 2.884 10.797 2.824 19 HB3 SER 3 HB1 SER 3 1.871 9.365 2.664 20 HG SER 3 HG SER 3 4.079 9.837 4.307 21 HA PRO 4 HA PRO 4 2.124 10.256 -2.282 22 HB2 PRO 4 HB2 PRO 4 2.691 7.887 -3.750 23 HB3 PRO 4 HB1 PRO 4 3.584 9.408 -3.832 24 HG2 PRO 4 HG2 PRO 4 4.600 7.005 -2.869 25 HG3 PRO 4 HG1 PRO 4 5.265 8.608 -2.515 26 HD2 PRO 4 HD2 PRO 4 3.429 6.911 -0.882 27 HD3 PRO 4 HD1 PRO 4 4.800 7.917 -0.351 28 H CYS 5 H CYS 5 0.595 8.890 -3.945 29 HA CYS 5 HA CYS 5 -1.282 7.478 -2.196 30 HB2 CYS 5 HB2 CYS 5 -2.098 9.506 -3.480 31 HB3 CYS 5 HB1 CYS 5 -1.658 8.577 -4.926 32 H PHE 6 H PHE 6 -0.916 5.358 -2.331 33 HA PHE 6 HA PHE 6 -0.499 4.295 -5.028 34 HB2 PHE 6 HB2 PHE 6 1.528 4.312 -3.399 35 HB3 PHE 6 HB1 PHE 6 0.665 3.020 -2.567 36 HD1 PHE 6 HD1 PHE 6 0.580 0.816 -3.483 37 HD2 PHE 6 HD2 PHE 6 2.222 4.044 -5.690 38 HE1 PHE 6 HE1 PHE 6 1.474 -0.774 -5.136 39 HE2 PHE 6 HE2 PHE 6 3.110 2.522 -7.326 40 HZ PHE 6 HZ PHE 6 2.752 0.064 -7.076 41 H CYS 7 H CYS 7 -1.993 2.779 -5.533 42 HA CYS 7 HA CYS 7 -3.529 1.707 -3.295 43 HB2 CYS 7 HB2 CYS 7 -4.422 2.011 -6.144 44 HB3 CYS 7 HB1 CYS 7 -5.375 1.360 -4.833 45 H VAL 8 H VAL 8 -3.917 -0.388 -3.178 46 HA VAL 8 HA VAL 8 -2.517 -2.123 -5.094 47 HB VAL 8 HB VAL 8 -2.565 -2.653 -2.147 48 HG11 VAL 8 HG11 VAL 8 -0.850 -3.785 -4.325 49 HG12 VAL 8 HG12 VAL 8 -2.180 -4.580 -3.483 50 HG13 VAL 8 3HG1 VAL 8 -0.700 -4.174 -2.611 51 HG21 VAL 8 HG21 VAL 8 -1.313 -0.576 -2.364 52 HG22 VAL 8 HG22 VAL 8 -0.305 -1.293 -3.620 53 HG23 VAL 8 HG23 VAL 8 -0.212 -1.897 -1.966 54 H GLU 9 H GLU 9 -3.579 -3.962 -5.459 55 HA GLU 9 HA GLU 9 -6.317 -4.246 -4.476 56 HB2 GLU 9 HB2 GLU 9 -5.640 -4.591 -6.894 57 HB3 GLU 9 HB1 GLU 9 -4.670 -5.960 -6.380 58 HG2 GLU 9 HG2 GLU 9 -6.754 -6.692 -7.332 59 HG3 GLU 9 HG1 GLU 9 -6.689 -7.087 -5.614 60 H ASP 10 H ASP 10 -6.343 -5.100 -2.452 61 HA ASP 10 HA ASP 10 -4.098 -6.760 -1.692 62 HB2 ASP 10 HB2 ASP 10 -4.429 -4.874 -0.225 63 HB3 ASP 10 HB1 ASP 10 -6.110 -5.346 0.038 64 H GLU 11 H GLU 11 -4.202 -8.710 -1.470 65 HA GLU 11 HA GLU 11 -6.675 -10.147 -1.802 66 HB2 GLU 11 HB2 GLU 11 -3.849 -11.119 -1.455 67 HB3 GLU 11 HB1 GLU 11 -5.229 -12.121 -1.877 68 HG2 GLU 11 HG2 GLU 11 -5.534 -10.909 -3.946 69 HG3 GLU 11 HG1 GLU 11 -4.246 -9.795 -3.511 70 H THR 12 H THR 12 -4.899 -9.009 0.828 71 HA THR 12 HA THR 12 -5.488 -11.076 2.710 72 HB THR 12 HB THR 12 -4.917 -8.165 3.325 73 HG1 THR 12 HG1 THR 12 -3.247 -8.596 2.124 74 HG21 THR 12 HG21 THR 12 -4.276 -10.724 4.819 75 HG22 THR 12 HG22 THR 12 -5.564 -9.594 5.228 76 HG23 THR 12 HG23 THR 12 -3.880 -9.090 5.357 77 H SER 13 H SER 13 -6.777 -7.791 2.143 78 HA SER 13 HA SER 13 -9.080 -8.266 3.786 79 HB2 SER 13 HB2 SER 13 -7.956 -6.044 3.583 80 HB3 SER 13 HB1 SER 13 -8.450 -6.018 1.892 81 HG SER 13 HG SER 13 -10.422 -6.388 3.843 82 H GLY 14 H GLY 14 -8.239 -8.609 0.434 83 HA2 GLY 14 HA2 GLY 14 -9.446 -9.707 -1.222 84 HA3 GLY 14 HA1 GLY 14 -10.844 -9.743 -0.148 85 H ALA 15 H ALA 15 -9.134 -6.811 -0.585 86 HA ALA 15 HA ALA 15 -10.875 -5.753 -2.589 87 HB1 ALA 15 HB1 ALA 15 -10.994 -4.748 0.262 88 HB2 ALA 15 HB2 ALA 15 -12.297 -5.564 -0.602 89 HB3 ALA 15 HB3 ALA 15 -11.750 -3.971 -1.128 90 H LYS 16 H LYS 16 -10.071 -3.768 -3.318 91 HA LYS 16 HA LYS 16 -7.319 -3.306 -2.995 92 HB2 LYS 16 HB2 LYS 16 -8.521 -2.834 -5.072 93 HB3 LYS 16 HB1 LYS 16 -9.477 -1.606 -4.255 94 HG2 LYS 16 HG2 LYS 16 -7.428 -0.312 -3.839 95 HG3 LYS 16 HG1 LYS 16 -6.499 -1.531 -4.704 96 HD2 LYS 16 HD2 LYS 16 -8.710 0.164 -5.852 97 HD3 LYS 16 HD1 LYS 16 -6.982 0.405 -6.106 98 HE2 LYS 16 HE2 LYS 16 -6.896 -1.882 -7.128 99 HE3 LYS 16 HE1 LYS 16 -8.650 -1.939 -6.996 100 HZ1 LYS 16 HZ1 LYS 16 -7.091 0.045 -8.523 101 HZ2 LYS 16 HZ2 LYS 16 -8.759 0.055 -8.401 102 HZ3 LYS 16 HZ3 LYS 16 -7.976 -1.209 -9.196 103 H THR 17 H THR 17 -6.277 -1.861 -1.796 104 HA THR 17 HA THR 17 -7.773 0.109 -0.299 105 HB THR 17 HB THR 17 -7.390 -1.777 1.233 106 HG1 THR 17 HG1 THR 17 -7.238 0.221 2.210 107 HG21 THR 17 HG21 THR 17 -4.448 -1.428 0.625 108 HG22 THR 17 HG22 THR 17 -5.450 -2.796 0.147 109 HG23 THR 17 HG23 THR 17 -5.120 -2.503 1.854 110 H CYS 18 H CYS 18 -6.468 1.980 0.110 111 HA CYS 18 HA CYS 18 -4.075 1.991 -1.549 112 HB2 CYS 18 HB2 CYS 18 -5.765 4.399 -0.876 113 HB3 CYS 18 HB1 CYS 18 -4.417 4.327 -1.978 114 H VAL 19 H VAL 19 -2.470 3.468 -0.885 115 HA VAL 19 HA VAL 19 -2.296 3.780 2.021 116 HB VAL 19 HB VAL 19 -0.027 3.066 0.119 117 HG11 VAL 19 HG11 VAL 19 1.321 2.728 2.114 118 HG12 VAL 19 HG12 VAL 19 -0.051 3.160 3.124 119 HG13 VAL 19 3HG1 VAL 19 0.679 4.375 2.074 120 HG21 VAL 19 HG21 VAL 19 -0.005 0.849 1.184 121 HG22 VAL 19 HG22 VAL 19 -1.539 1.162 0.373 122 HG23 VAL 19 HG23 VAL 19 -1.427 1.294 2.127 123 HA PRO 20 HA PRO 20 -2.286 5.260 3.330 124 HB2 PRO 20 HB2 PRO 20 -3.504 7.558 3.984 125 HB3 PRO 20 HB1 PRO 20 -1.762 7.341 4.175 126 HG2 PRO 20 HG2 PRO 20 -3.273 8.708 1.985 127 HG3 PRO 20 HG1 PRO 20 -1.801 9.233 2.819 128 HD2 PRO 20 HD2 PRO 20 -1.745 8.044 0.373 129 HD3 PRO 20 HD1 PRO 20 -0.444 7.873 1.562 130 H ASP 21 H ASP 21 -4.416 5.100 4.167 131 HA ASP 21 HA ASP 21 -6.261 4.126 2.327 132 HB2 ASP 21 HB2 ASP 21 -6.297 3.387 4.649 133 HB3 ASP 21 HB1 ASP 21 -6.723 5.017 5.163 134 H ASN 22 H ASN 22 -7.593 5.018 1.084 135 HA ASN 22 HA ASN 22 -8.853 6.392 -0.023 136 HB2 ASN 22 HB2 ASN 22 -9.361 7.620 2.684 137 HB3 ASN 22 HB1 ASN 22 -10.149 8.099 1.180 138 HD21 ASN 22 HD21 ASN 22 -10.350 5.378 0.089 139 HD22 ASN 22 HD22 ASN 22 -11.568 4.615 1.022 140 H CYS 23 H CYS 23 -6.008 6.996 0.066 141 HA CYS 23 HA CYS 23 -5.806 9.818 -0.212 142 HB2 CYS 23 HB2 CYS 23 -3.760 9.369 -1.566 143 HB3 CYS 23 HB1 CYS 23 -3.767 8.409 -0.092 144 H ASP 24 H ASP 24 -6.908 7.273 -2.089 145 HA ASP 24 HA ASP 24 -7.757 8.960 -4.314 146 HB2 ASP 24 HB2 ASP 24 -6.685 6.823 -4.944 147 HB3 ASP 24 HB1 ASP 24 -7.798 5.941 -3.913 148 H ALA 25 H ALA 25 -9.112 10.017 -2.868 149 HA ALA 25 HA ALA 25 -11.392 8.514 -1.786 150 HB1 ALA 25 HB1 ALA 25 -10.609 11.387 -1.311 151 HB2 ALA 25 HB2 ALA 25 -10.221 10.031 -0.254 152 HB3 ALA 25 HB3 ALA 25 -11.901 10.516 -0.488 153 H SER 26 H SER 26 -10.563 10.401 -4.373 154 HA SER 26 HA SER 26 -13.345 10.680 -5.134 155 HB2 SER 26 HB2 SER 26 -12.776 12.977 -6.043 156 HB3 SER 26 HB1 SER 26 -12.826 12.854 -4.285 157 HG SER 26 HG SER 26 -10.681 13.276 -5.999 158 H ARG 27 H ARG 27 -13.645 10.736 -7.380 159 HA ARG 27 HA ARG 27 -11.757 9.185 -8.862 160 HB2 ARG 27 HB2 ARG 27 -14.172 8.852 -9.055 161 HB3 ARG 27 HB1 ARG 27 -14.367 10.501 -9.606 162 HG2 ARG 27 HG2 ARG 27 -13.140 9.961 -11.641 163 HG3 ARG 27 HG1 ARG 27 -12.934 8.302 -11.062 164 HD2 ARG 27 HD2 ARG 27 -14.821 8.534 -12.637 165 HD3 ARG 27 HD1 ARG 27 -15.313 7.955 -11.044 166 HE ARG 27 HE ARG 27 -15.529 10.802 -11.740 167 HH11 ARG 27 HH11 ARG 27 -17.140 7.772 -10.785 168 HH12 ARG 27 HH12 ARG 27 -18.618 8.521 -10.400 169 HH21 ARG 27 HH21 ARG 27 -17.560 11.795 -11.216 170 HH22 ARG 27 HH22 ARG 27 -18.876 10.858 -10.684 171 H GLY 28 H GLY 28 -9.911 10.334 -9.328 172 HA2 GLY 28 HA2 GLY 28 -10.312 12.928 -10.659 173 HA3 GLY 28 HA1 GLY 28 -8.899 12.520 -9.692 174 H THR 29 H THR 29 -8.908 13.441 -12.404 175 HA THR 29 HA THR 29 -8.255 11.087 -13.919 176 HB THR 29 HB THR 29 -8.133 13.994 -14.771 177 HG1 THR 29 HG1 THR 29 -10.186 12.277 -14.326 178 HG21 THR 29 HG21 THR 29 -8.244 11.422 -16.379 179 HG22 THR 29 HG22 THR 29 -6.820 12.443 -16.188 180 HG23 THR 29 HG23 THR 29 -8.233 13.054 -17.050 181 H ASN 30 H ASN 30 -6.552 10.536 -12.471 182 HA ASN 30 HA ASN 30 -4.041 11.420 -13.465 183 HB2 ASN 30 HB2 ASN 30 -3.030 12.017 -11.310 184 HB3 ASN 30 HB1 ASN 30 -4.423 13.049 -11.578 185 HD21 ASN 30 HD21 ASN 30 -6.189 12.854 -10.214 186 HD22 ASN 30 HD22 ASN 30 -6.128 11.954 -8.736 187 HA PRO 31 HA PRO 31 -3.536 7.125 -12.391 188 HB2 PRO 31 HB2 PRO 31 -0.650 7.337 -12.516 189 HB3 PRO 31 HB1 PRO 31 -1.739 6.638 -13.716 190 HG2 PRO 31 HG2 PRO 31 -0.324 8.922 -14.155 191 HG3 PRO 31 HG1 PRO 31 -1.899 8.604 -14.900 192 HD2 PRO 31 HD2 PRO 31 -1.259 10.242 -12.469 193 HD3 PRO 31 HD1 PRO 31 -2.323 10.631 -13.844 Start of MODEL 18 1 H1 ASP 1 HT1 ASP 1 4.477 17.851 1.490 2 H2 ASP 1 HT2 ASP 1 5.910 18.574 0.946 3 H3 ASP 1 HT3 ASP 1 5.936 17.059 1.701 4 HA ASP 1 HA ASP 1 4.585 17.602 -0.850 5 HB2 ASP 1 HB2 ASP 1 6.998 17.726 -1.171 6 HB3 ASP 1 HB1 ASP 1 7.226 16.242 -0.256 7 H VAL 2 H VAL 2 3.008 16.195 -1.160 8 HA VAL 2 HA VAL 2 2.929 13.834 0.500 9 HB VAL 2 HB VAL 2 0.888 15.231 0.252 10 HG11 VAL 2 HG11 VAL 2 1.104 15.918 -2.065 11 HG12 VAL 2 HG12 VAL 2 -0.458 15.156 -1.783 12 HG13 VAL 2 3HG1 VAL 2 0.824 14.260 -2.596 13 HG21 VAL 2 HG21 VAL 2 0.597 12.405 -0.760 14 HG22 VAL 2 HG22 VAL 2 -0.715 13.386 -0.108 15 HG23 VAL 2 HG23 VAL 2 0.632 12.917 0.926 16 H SER 3 H SER 3 3.083 11.804 -0.195 17 HA SER 3 HA SER 3 4.288 11.301 -2.734 18 HB2 SER 3 HB2 SER 3 5.057 10.126 -0.716 19 HB3 SER 3 HB1 SER 3 3.441 9.480 -0.461 20 HG SER 3 HG SER 3 4.001 7.919 -1.621 21 HA PRO 4 HA PRO 4 0.478 10.397 -4.943 22 HB2 PRO 4 HB2 PRO 4 2.160 8.315 -6.253 23 HB3 PRO 4 HB1 PRO 4 1.157 9.577 -6.981 24 HG2 PRO 4 HG2 PRO 4 3.797 9.809 -6.953 25 HG3 PRO 4 HG1 PRO 4 2.757 11.216 -6.666 26 HD2 PRO 4 HD2 PRO 4 4.309 9.580 -4.706 27 HD3 PRO 4 HD1 PRO 4 4.026 11.333 -4.758 28 H CYS 5 H CYS 5 -1.099 9.075 -4.425 29 HA CYS 5 HA CYS 5 -0.862 7.287 -2.332 30 HB2 CYS 5 HB2 CYS 5 -2.884 8.533 -2.797 31 HB3 CYS 5 HB1 CYS 5 -3.093 7.644 -4.302 32 H PHE 6 H PHE 6 -0.312 5.303 -2.225 33 HA PHE 6 HA PHE 6 0.044 3.687 -4.603 34 HB2 PHE 6 HB2 PHE 6 0.790 3.370 -1.724 35 HB3 PHE 6 HB1 PHE 6 0.801 1.985 -2.807 36 HD1 PHE 6 HD1 PHE 6 2.331 1.825 -4.565 37 HD2 PHE 6 HD2 PHE 6 2.404 5.149 -1.949 38 HE1 PHE 6 HE1 PHE 6 4.521 2.350 -5.379 39 HE2 PHE 6 HE2 PHE 6 4.645 5.742 -2.746 40 HZ PHE 6 HZ PHE 6 5.740 4.352 -4.481 41 H CYS 7 H CYS 7 -1.712 2.664 -5.345 42 HA CYS 7 HA CYS 7 -3.282 1.280 -3.306 43 HB2 CYS 7 HB2 CYS 7 -4.282 2.158 -5.974 44 HB3 CYS 7 HB1 CYS 7 -5.204 1.370 -4.728 45 H VAL 8 H VAL 8 -3.374 -0.714 -3.512 46 HA VAL 8 HA VAL 8 -2.840 -2.109 -6.009 47 HB VAL 8 HB VAL 8 -1.296 -2.766 -3.457 48 HG11 VAL 8 HG11 VAL 8 -0.069 -4.429 -4.788 49 HG12 VAL 8 HG12 VAL 8 -1.104 -4.066 -6.169 50 HG13 VAL 8 3HG1 VAL 8 -1.796 -4.781 -4.714 51 HG21 VAL 8 HG21 VAL 8 0.763 -2.170 -4.665 52 HG22 VAL 8 HG22 VAL 8 -0.327 -0.792 -4.504 53 HG23 VAL 8 HG23 VAL 8 -0.209 -1.649 -6.041 54 H GLU 9 H GLU 9 -3.677 -4.223 -5.912 55 HA GLU 9 HA GLU 9 -6.052 -4.398 -4.279 56 HB2 GLU 9 HB2 GLU 9 -5.957 -5.069 -6.683 57 HB3 GLU 9 HB1 GLU 9 -4.948 -6.427 -6.196 58 HG2 GLU 9 HG2 GLU 9 -6.720 -7.337 -4.868 59 HG3 GLU 9 HG1 GLU 9 -7.728 -5.924 -5.180 60 H ASP 10 H ASP 10 -6.056 -5.203 -2.302 61 HA ASP 10 HA ASP 10 -3.921 -7.074 -1.589 62 HB2 ASP 10 HB2 ASP 10 -4.083 -5.003 -0.211 63 HB3 ASP 10 HB1 ASP 10 -5.722 -5.466 0.235 64 H GLU 11 H GLU 11 -4.529 -9.063 -1.750 65 HA GLU 11 HA GLU 11 -7.223 -9.869 -1.959 66 HB2 GLU 11 HB2 GLU 11 -5.302 -10.954 -3.076 67 HB3 GLU 11 HB1 GLU 11 -4.781 -11.575 -1.523 68 HG2 GLU 11 HG2 GLU 11 -6.877 -12.824 -1.313 69 HG3 GLU 11 HG1 GLU 11 -7.378 -12.232 -2.893 70 H THR 12 H THR 12 -5.203 -9.435 0.785 71 HA THR 12 HA THR 12 -6.531 -11.407 2.415 72 HB THR 12 HB THR 12 -4.737 -9.103 3.241 73 HG1 THR 12 HG1 THR 12 -3.590 -10.458 1.899 74 HG21 THR 12 HG21 THR 12 -5.465 -11.659 4.701 75 HG22 THR 12 HG22 THR 12 -6.048 -10.046 5.111 76 HG23 THR 12 HG23 THR 12 -4.335 -10.433 5.276 77 H SER 13 H SER 13 -6.622 -7.948 1.925 78 HA SER 13 HA SER 13 -8.717 -7.473 3.818 79 HB2 SER 13 HB2 SER 13 -7.759 -5.734 1.577 80 HB3 SER 13 HB1 SER 13 -8.577 -5.213 3.054 81 HG SER 13 HG SER 13 -5.979 -6.297 2.764 82 H GLY 14 H GLY 14 -8.464 -8.331 0.482 83 HA2 GLY 14 HA2 GLY 14 -10.089 -9.057 -0.975 84 HA3 GLY 14 HA1 GLY 14 -11.296 -8.760 0.275 85 H ALA 15 H ALA 15 -8.989 -6.384 -0.733 86 HA ALA 15 HA ALA 15 -10.708 -5.037 -2.562 87 HB1 ALA 15 HB1 ALA 15 -11.064 -3.024 -1.202 88 HB2 ALA 15 HB2 ALA 15 -10.321 -3.826 0.181 89 HB3 ALA 15 HB3 ALA 15 -11.842 -4.431 -0.475 90 H LYS 16 H LYS 16 -9.706 -3.113 -3.359 91 HA LYS 16 HA LYS 16 -6.847 -3.137 -3.334 92 HB2 LYS 16 HB2 LYS 16 -8.245 -2.696 -5.364 93 HB3 LYS 16 HB1 LYS 16 -8.846 -1.251 -4.581 94 HG2 LYS 16 HG2 LYS 16 -6.648 -0.258 -4.660 95 HG3 LYS 16 HG1 LYS 16 -5.979 -1.739 -5.353 96 HD2 LYS 16 HD2 LYS 16 -7.441 -1.517 -7.297 97 HD3 LYS 16 HD1 LYS 16 -8.148 -0.057 -6.614 98 HE2 LYS 16 HE2 LYS 16 -6.009 1.071 -6.767 99 HE3 LYS 16 HE1 LYS 16 -5.249 -0.396 -7.377 100 HZ1 LYS 16 HZ1 LYS 16 -5.811 1.177 -9.152 101 HZ2 LYS 16 HZ2 LYS 16 -7.439 1.085 -8.736 102 HZ3 LYS 16 HZ3 LYS 16 -6.644 -0.277 -9.325 103 H THR 17 H THR 17 -5.749 -2.375 -1.816 104 HA THR 17 HA THR 17 -6.945 -0.413 -0.051 105 HB THR 17 HB THR 17 -5.984 -2.533 0.919 106 HG1 THR 17 HG1 THR 17 -5.743 -1.340 2.569 107 HG21 THR 17 HG21 THR 17 -3.540 -2.786 1.069 108 HG22 THR 17 HG22 THR 17 -3.330 -1.363 0.049 109 HG23 THR 17 HG23 THR 17 -4.075 -2.817 -0.613 110 H CYS 18 H CYS 18 -5.750 1.456 0.512 111 HA CYS 18 HA CYS 18 -3.692 2.144 -1.436 112 HB2 CYS 18 HB2 CYS 18 -5.839 3.981 -0.440 113 HB3 CYS 18 HB1 CYS 18 -4.524 4.402 -1.492 114 H VAL 19 H VAL 19 -2.400 3.834 -0.791 115 HA VAL 19 HA VAL 19 -2.193 4.353 2.083 116 HB VAL 19 HB VAL 19 0.208 3.894 0.280 117 HG11 VAL 19 HG11 VAL 19 1.478 3.897 2.383 118 HG12 VAL 19 HG12 VAL 19 -0.004 4.278 3.257 119 HG13 VAL 19 3HG1 VAL 19 0.649 5.424 2.084 120 HG21 VAL 19 HG21 VAL 19 0.608 1.802 1.514 121 HG22 VAL 19 HG22 VAL 19 -0.918 1.752 0.628 122 HG23 VAL 19 HG23 VAL 19 -0.918 2.028 2.370 123 HA PRO 20 HA PRO 20 -2.333 5.993 3.307 124 HB2 PRO 20 HB2 PRO 20 -4.067 8.026 3.581 125 HB3 PRO 20 HB1 PRO 20 -2.329 8.215 3.841 126 HG2 PRO 20 HG2 PRO 20 -3.987 8.895 1.447 127 HG3 PRO 20 HG1 PRO 20 -2.700 9.844 2.195 128 HD2 PRO 20 HD2 PRO 20 -2.292 8.373 -0.029 129 HD3 PRO 20 HD1 PRO 20 -1.026 8.596 1.194 130 H ASP 21 H ASP 21 -4.376 5.432 4.254 131 HA ASP 21 HA ASP 21 -5.947 3.829 2.577 132 HB2 ASP 21 HB2 ASP 21 -5.714 3.391 4.988 133 HB3 ASP 21 HB1 ASP 21 -6.651 4.840 5.335 134 H ASN 22 H ASN 22 -7.590 4.223 1.342 135 HA ASN 22 HA ASN 22 -8.971 5.367 0.043 136 HB2 ASN 22 HB2 ASN 22 -10.033 6.098 2.770 137 HB3 ASN 22 HB1 ASN 22 -10.819 6.544 1.260 138 HD21 ASN 22 HD21 ASN 22 -10.030 3.887 3.413 139 HD22 ASN 22 HD22 ASN 22 -11.085 2.764 2.663 140 H CYS 23 H CYS 23 -6.641 6.622 0.032 141 HA CYS 23 HA CYS 23 -6.394 9.271 0.583 142 HB2 CYS 23 HB2 CYS 23 -5.025 9.315 -1.552 143 HB3 CYS 23 HB1 CYS 23 -4.581 8.093 -0.357 144 H ASP 24 H ASP 24 -7.952 7.908 -2.138 145 HA ASP 24 HA ASP 24 -8.876 10.535 -2.953 146 HB2 ASP 24 HB2 ASP 24 -8.951 7.885 -4.381 147 HB3 ASP 24 HB1 ASP 24 -9.927 9.241 -4.924 148 H ALA 25 H ALA 25 -10.029 10.686 -1.094 149 HA ALA 25 HA ALA 25 -12.703 9.467 -1.300 150 HB1 ALA 25 HB1 ALA 25 -13.044 10.127 1.049 151 HB2 ALA 25 HB2 ALA 25 -11.427 10.833 1.081 152 HB3 ALA 25 HB3 ALA 25 -11.626 9.097 0.867 153 H SER 26 H SER 26 -10.910 12.251 -1.569 154 HA SER 26 HA SER 26 -13.279 13.843 -2.216 155 HB2 SER 26 HB2 SER 26 -10.648 14.798 -1.045 156 HB3 SER 26 HB1 SER 26 -12.035 15.810 -1.454 157 HG SER 26 HG SER 26 -13.198 14.877 0.124 158 H ARG 27 H ARG 27 -13.127 14.862 -4.202 159 HA ARG 27 HA ARG 27 -12.503 15.268 -6.326 160 HB2 ARG 27 HB2 ARG 27 -9.702 15.067 -5.198 161 HB3 ARG 27 HB1 ARG 27 -10.065 15.609 -6.838 162 HG2 ARG 27 HG2 ARG 27 -11.288 17.497 -5.937 163 HG3 ARG 27 HG1 ARG 27 -10.989 16.925 -4.297 164 HD2 ARG 27 HD2 ARG 27 -8.569 17.175 -4.688 165 HD3 ARG 27 HD1 ARG 27 -8.914 17.814 -6.295 166 HE ARG 27 HE ARG 27 -10.381 19.364 -4.629 167 HH11 ARG 27 HH11 ARG 27 -6.915 18.603 -4.892 168 HH12 ARG 27 HH12 ARG 27 -6.410 20.051 -4.181 169 HH21 ARG 27 HH21 ARG 27 -9.650 21.385 -3.650 170 HH22 ARG 27 HH22 ARG 27 -7.992 21.669 -3.472 171 H GLY 28 H GLY 28 -12.774 12.619 -5.131 172 HA2 GLY 28 HA2 GLY 28 -12.438 11.057 -7.437 173 HA3 GLY 28 HA1 GLY 28 -11.240 10.631 -6.206 174 H THR 29 H THR 29 -13.878 9.409 -7.258 175 HA THR 29 HA THR 29 -15.273 9.314 -4.730 176 HB THR 29 HB THR 29 -17.047 8.126 -6.173 177 HG1 THR 29 HG1 THR 29 -15.302 8.008 -7.930 178 HG21 THR 29 HG21 THR 29 -17.908 10.284 -6.991 179 HG22 THR 29 HG22 THR 29 -16.328 11.017 -6.713 180 HG23 THR 29 HG23 THR 29 -17.281 10.430 -5.351 181 H ASN 30 H ASN 30 -14.785 7.725 -3.433 182 HA ASN 30 HA ASN 30 -14.530 5.051 -4.475 183 HB2 ASN 30 HB2 ASN 30 -12.278 6.401 -3.009 184 HB3 ASN 30 HB1 ASN 30 -12.529 4.675 -2.781 185 HD21 ASN 30 HD21 ASN 30 -10.431 6.360 -4.087 186 HD22 ASN 30 HD22 ASN 30 -10.222 5.681 -5.659 187 HA PRO 31 HA PRO 31 -15.751 4.405 -0.031 188 HB2 PRO 31 HB2 PRO 31 -15.466 6.582 1.760 189 HB3 PRO 31 HB1 PRO 31 -14.396 5.188 1.620 190 HG2 PRO 31 HG2 PRO 31 -13.712 7.824 0.994 191 HG3 PRO 31 HG1 PRO 31 -12.834 6.376 0.476 192 HD2 PRO 31 HD2 PRO 31 -14.848 8.008 -1.009 193 HD3 PRO 31 HD1 PRO 31 -13.363 7.241 -1.609 Start of MODEL 19 1 H1 ASP 1 HT1 ASP 1 0.865 12.618 7.912 2 H2 ASP 1 HT2 ASP 1 -0.291 12.187 6.726 3 H3 ASP 1 HT3 ASP 1 0.465 13.663 6.647 4 HA ASP 1 HA ASP 1 2.535 12.723 6.144 5 HB2 ASP 1 HB2 ASP 1 2.337 10.651 7.442 6 HB3 ASP 1 HB1 ASP 1 1.072 10.080 6.358 7 H VAL 2 H VAL 2 2.471 13.622 4.192 8 HA VAL 2 HA VAL 2 0.468 12.597 2.383 9 HB VAL 2 HB VAL 2 0.324 15.005 2.646 10 HG11 VAL 2 HG11 VAL 2 2.079 16.553 1.905 11 HG12 VAL 2 HG12 VAL 2 3.163 15.182 1.672 12 HG13 VAL 2 3HG1 VAL 2 2.572 15.572 3.286 13 HG21 VAL 2 HG21 VAL 2 0.452 15.727 0.291 14 HG22 VAL 2 HG22 VAL 2 -0.283 14.134 0.466 15 HG23 VAL 2 HG23 VAL 2 1.386 14.278 -0.083 16 H SER 3 H SER 3 1.448 10.733 1.925 17 HA SER 3 HA SER 3 3.855 10.877 0.284 18 HB2 SER 3 HB2 SER 3 2.368 8.495 1.433 19 HB3 SER 3 HB1 SER 3 3.845 8.393 0.478 20 HG SER 3 HG SER 3 3.454 9.278 3.106 21 HA PRO 4 HA PRO 4 1.609 10.420 -3.519 22 HB2 PRO 4 HB2 PRO 4 3.274 8.038 -4.148 23 HB3 PRO 4 HB1 PRO 4 3.032 9.510 -5.102 24 HG2 PRO 4 HG2 PRO 4 5.314 9.151 -3.833 25 HG3 PRO 4 HG1 PRO 4 4.525 10.738 -3.790 26 HD2 PRO 4 HD2 PRO 4 4.539 8.592 -1.701 27 HD3 PRO 4 HD1 PRO 4 4.787 10.341 -1.515 28 H CYS 5 H CYS 5 -0.095 9.322 -4.330 29 HA CYS 5 HA CYS 5 -1.410 7.526 -2.578 30 HB2 CYS 5 HB2 CYS 5 -2.515 9.256 -4.080 31 HB3 CYS 5 HB1 CYS 5 -2.091 8.151 -5.402 32 H PHE 6 H PHE 6 -1.001 5.417 -2.509 33 HA PHE 6 HA PHE 6 -0.704 4.087 -5.079 34 HB2 PHE 6 HB2 PHE 6 1.494 4.378 -3.740 35 HB3 PHE 6 HB1 PHE 6 0.816 3.165 -2.658 36 HD1 PHE 6 HD1 PHE 6 0.423 0.869 -3.459 37 HD2 PHE 6 HD2 PHE 6 2.224 3.839 -5.900 38 HE1 PHE 6 HE1 PHE 6 1.178 -0.867 -5.003 39 HE2 PHE 6 HE2 PHE 6 2.981 2.142 -7.444 40 HZ PHE 6 HZ PHE 6 2.465 -0.252 -7.007 41 H CYS 7 H CYS 7 -2.141 2.480 -5.274 42 HA CYS 7 HA CYS 7 -3.469 1.595 -2.817 43 HB2 CYS 7 HB2 CYS 7 -4.623 1.592 -5.592 44 HB3 CYS 7 HB1 CYS 7 -5.460 1.193 -4.108 45 H VAL 8 H VAL 8 -3.802 -0.501 -2.510 46 HA VAL 8 HA VAL 8 -2.595 -2.372 -4.437 47 HB VAL 8 HB VAL 8 -2.455 -2.693 -1.453 48 HG11 VAL 8 HG11 VAL 8 -2.309 -4.768 -2.636 49 HG12 VAL 8 HG12 VAL 8 -0.745 -4.392 -1.912 50 HG13 VAL 8 3HG1 VAL 8 -1.002 -4.138 -3.639 51 HG21 VAL 8 HG21 VAL 8 -0.058 -2.099 -1.534 52 HG22 VAL 8 HG22 VAL 8 -1.101 -0.749 -1.989 53 HG23 VAL 8 HG23 VAL 8 -0.246 -1.662 -3.232 54 H GLU 9 H GLU 9 -3.687 -4.214 -4.611 55 HA GLU 9 HA GLU 9 -6.316 -4.388 -3.275 56 HB2 GLU 9 HB2 GLU 9 -6.208 -4.438 -5.805 57 HB3 GLU 9 HB1 GLU 9 -5.278 -5.923 -5.670 58 HG2 GLU 9 HG2 GLU 9 -7.170 -6.975 -4.509 59 HG3 GLU 9 HG1 GLU 9 -8.100 -5.493 -4.722 60 H ASP 10 H ASP 10 -5.998 -5.396 -1.447 61 HA ASP 10 HA ASP 10 -3.943 -7.405 -1.161 62 HB2 ASP 10 HB2 ASP 10 -4.540 -5.927 0.759 63 HB3 ASP 10 HB1 ASP 10 -6.149 -6.639 0.770 64 H GLU 11 H GLU 11 -4.282 -9.269 -2.070 65 HA GLU 11 HA GLU 11 -6.879 -10.182 -2.752 66 HB2 GLU 11 HB2 GLU 11 -4.728 -10.626 -3.983 67 HB3 GLU 11 HB1 GLU 11 -4.370 -11.831 -2.759 68 HG2 GLU 11 HG2 GLU 11 -5.333 -12.921 -4.672 69 HG3 GLU 11 HG1 GLU 11 -6.464 -12.994 -3.320 70 H THR 12 H THR 12 -5.130 -10.445 0.137 71 HA THR 12 HA THR 12 -6.163 -13.004 0.885 72 HB THR 12 HB THR 12 -4.891 -10.863 2.611 73 HG1 THR 12 HG1 THR 12 -3.791 -12.994 1.088 74 HG21 THR 12 HG21 THR 12 -4.278 -12.753 4.064 75 HG22 THR 12 HG22 THR 12 -5.093 -13.868 2.969 76 HG23 THR 12 HG23 THR 12 -6.030 -12.677 3.870 77 H SER 13 H SER 13 -6.821 -9.623 1.770 78 HA SER 13 HA SER 13 -9.265 -10.365 3.138 79 HB2 SER 13 HB2 SER 13 -7.842 -8.526 4.012 80 HB3 SER 13 HB1 SER 13 -8.110 -7.661 2.498 81 HG SER 13 HG SER 13 -10.477 -8.175 3.304 82 H GLY 14 H GLY 14 -8.268 -9.660 0.004 83 HA2 GLY 14 HA2 GLY 14 -9.415 -9.513 -1.964 84 HA3 GLY 14 HA1 GLY 14 -10.890 -9.874 -1.070 85 H ALA 15 H ALA 15 -8.731 -7.239 -0.325 86 HA ALA 15 HA ALA 15 -10.784 -5.395 -1.274 87 HB1 ALA 15 HB1 ALA 15 -11.264 -5.796 1.060 88 HB2 ALA 15 HB2 ALA 15 -10.711 -4.135 0.822 89 HB3 ALA 15 HB3 ALA 15 -9.620 -5.347 1.496 90 H LYS 16 H LYS 16 -10.068 -3.621 -2.149 91 HA LYS 16 HA LYS 16 -7.229 -3.111 -2.384 92 HB2 LYS 16 HB2 LYS 16 -8.838 -3.155 -4.319 93 HB3 LYS 16 HB1 LYS 16 -9.598 -1.726 -3.642 94 HG2 LYS 16 HG2 LYS 16 -7.372 -0.581 -3.836 95 HG3 LYS 16 HG1 LYS 16 -6.807 -1.988 -4.721 96 HD2 LYS 16 HD2 LYS 16 -9.180 -0.303 -5.540 97 HD3 LYS 16 HD1 LYS 16 -7.578 -0.200 -6.264 98 HE2 LYS 16 HE2 LYS 16 -7.767 -2.482 -7.084 99 HE3 LYS 16 HE1 LYS 16 -9.292 -2.691 -6.232 100 HZ1 LYS 16 HZ1 LYS 16 -10.280 -1.011 -7.647 101 HZ2 LYS 16 HZ2 LYS 16 -9.667 -2.235 -8.596 102 HZ3 LYS 16 HZ3 LYS 16 -8.842 -0.777 -8.466 103 H THR 17 H THR 17 -6.237 -1.681 -1.249 104 HA THR 17 HA THR 17 -7.749 0.418 0.109 105 HB THR 17 HB THR 17 -7.274 -1.370 1.759 106 HG1 THR 17 HG1 THR 17 -7.210 0.582 2.721 107 HG21 THR 17 HG21 THR 17 -4.963 -1.940 2.374 108 HG22 THR 17 HG22 THR 17 -4.361 -0.906 1.078 109 HG23 THR 17 HG23 THR 17 -5.292 -2.354 0.691 110 H CYS 18 H CYS 18 -6.435 2.337 0.523 111 HA CYS 18 HA CYS 18 -4.081 2.396 -1.216 112 HB2 CYS 18 HB2 CYS 18 -5.883 4.706 -0.653 113 HB3 CYS 18 HB1 CYS 18 -4.559 4.679 -1.764 114 H VAL 19 H VAL 19 -2.519 3.836 -0.683 115 HA VAL 19 HA VAL 19 -2.414 4.696 2.099 116 HB VAL 19 HB VAL 19 -0.074 3.444 0.608 117 HG11 VAL 19 HG11 VAL 19 -0.353 4.236 3.498 118 HG12 VAL 19 HG12 VAL 19 0.561 5.095 2.263 119 HG13 VAL 19 3HG1 VAL 19 1.063 3.477 2.766 120 HG21 VAL 19 HG21 VAL 19 -0.265 1.508 2.093 121 HG22 VAL 19 HG22 VAL 19 -1.732 1.702 1.131 122 HG23 VAL 19 HG23 VAL 19 -1.714 2.192 2.824 123 HA PRO 20 HA PRO 20 -2.097 6.366 3.161 124 HB2 PRO 20 HB2 PRO 20 -3.102 8.869 3.294 125 HB3 PRO 20 HB1 PRO 20 -1.382 8.530 3.518 126 HG2 PRO 20 HG2 PRO 20 -2.825 9.468 1.078 127 HG3 PRO 20 HG1 PRO 20 -1.319 10.086 1.757 128 HD2 PRO 20 HD2 PRO 20 -1.358 8.387 -0.331 129 HD3 PRO 20 HD1 PRO 20 -0.074 8.329 0.893 130 H ASP 21 H ASP 21 -4.267 6.695 4.060 131 HA ASP 21 HA ASP 21 -6.222 5.444 2.454 132 HB2 ASP 21 HB2 ASP 21 -6.157 5.164 4.892 133 HB3 ASP 21 HB1 ASP 21 -6.562 6.865 5.092 134 H ASN 22 H ASN 22 -7.775 6.185 1.180 135 HA ASN 22 HA ASN 22 -9.050 7.436 -0.016 136 HB2 ASN 22 HB2 ASN 22 -9.069 9.079 2.483 137 HB3 ASN 22 HB1 ASN 22 -9.832 9.634 0.992 138 HD21 ASN 22 HD21 ASN 22 -11.745 8.735 0.348 139 HD22 ASN 22 HD22 ASN 22 -12.591 7.541 1.262 140 H CYS 23 H CYS 23 -6.031 7.868 -0.162 141 HA CYS 23 HA CYS 23 -5.723 10.498 -1.138 142 HB2 CYS 23 HB2 CYS 23 -3.729 9.588 -2.326 143 HB3 CYS 23 HB1 CYS 23 -3.770 9.114 -0.633 144 H ASP 24 H ASP 24 -6.861 7.606 -2.457 145 HA ASP 24 HA ASP 24 -7.507 8.818 -5.029 146 HB2 ASP 24 HB2 ASP 24 -6.287 6.661 -5.161 147 HB3 ASP 24 HB1 ASP 24 -7.534 5.903 -4.180 148 H ALA 25 H ALA 25 -9.116 9.986 -4.115 149 HA ALA 25 HA ALA 25 -11.483 8.408 -3.349 150 HB1 ALA 25 HB1 ALA 25 -10.802 11.170 -2.366 151 HB2 ALA 25 HB2 ALA 25 -10.582 9.673 -1.462 152 HB3 ALA 25 HB3 ALA 25 -12.204 10.208 -1.901 153 H SER 26 H SER 26 -10.308 10.248 -5.795 154 HA SER 26 HA SER 26 -12.752 11.689 -6.348 155 HB2 SER 26 HB2 SER 26 -10.216 11.458 -7.983 156 HB3 SER 26 HB1 SER 26 -11.544 12.580 -8.274 157 HG SER 26 HG SER 26 -10.902 12.897 -5.781 158 H ARG 27 H ARG 27 -14.395 10.759 -7.340 159 HA ARG 27 HA ARG 27 -13.953 8.311 -8.830 160 HB2 ARG 27 HB2 ARG 27 -16.564 9.686 -8.107 161 HB3 ARG 27 HB1 ARG 27 -16.453 8.197 -9.023 162 HG2 ARG 27 HG2 ARG 27 -17.016 7.542 -6.841 163 HG3 ARG 27 HG1 ARG 27 -15.294 7.208 -6.980 164 HD2 ARG 27 HD2 ARG 27 -15.754 8.221 -4.839 165 HD3 ARG 27 HD1 ARG 27 -14.827 9.348 -5.828 166 HE ARG 27 HE ARG 27 -17.613 9.774 -6.103 167 HH11 ARG 27 HH11 ARG 27 -14.871 10.453 -3.977 168 HH12 ARG 27 HH12 ARG 27 -15.625 11.745 -3.173 169 HH21 ARG 27 HH21 ARG 27 -18.655 11.599 -5.003 170 HH22 ARG 27 HH22 ARG 27 -17.811 12.409 -3.762 171 H GLY 28 H GLY 28 -13.070 8.840 -10.709 172 HA2 GLY 28 HA2 GLY 28 -14.729 10.160 -12.644 173 HA3 GLY 28 HA1 GLY 28 -13.252 11.029 -12.238 174 H THR 29 H THR 29 -12.832 10.612 -14.539 175 HA THR 29 HA THR 29 -12.120 7.901 -15.228 176 HB THR 29 HB THR 29 -11.713 10.440 -16.832 177 HG1 THR 29 HG1 THR 29 -13.843 10.459 -16.620 178 HG21 THR 29 HG21 THR 29 -12.075 7.545 -17.666 179 HG22 THR 29 HG22 THR 29 -10.548 8.427 -17.683 180 HG23 THR 29 HG23 THR 29 -11.859 8.911 -18.760 181 H ASN 30 H ASN 30 -10.592 10.834 -14.182 182 HA ASN 30 HA ASN 30 -7.931 9.717 -14.664 183 HB2 ASN 30 HB2 ASN 30 -8.842 12.540 -14.125 184 HB3 ASN 30 HB1 ASN 30 -7.158 12.053 -14.053 185 HD21 ASN 30 HD21 ASN 30 -6.640 13.475 -15.704 186 HD22 ASN 30 HD22 ASN 30 -7.028 13.157 -17.353 187 HA PRO 31 HA PRO 31 -7.732 9.329 -10.199 188 HB2 PRO 31 HB2 PRO 31 -5.783 7.475 -10.137 189 HB3 PRO 31 HB1 PRO 31 -7.434 7.083 -10.631 190 HG2 PRO 31 HG2 PRO 31 -4.994 7.292 -12.272 191 HG3 PRO 31 HG1 PRO 31 -6.494 6.415 -12.600 192 HD2 PRO 31 HD2 PRO 31 -5.685 9.005 -13.586 193 HD3 PRO 31 HD1 PRO 31 -7.163 8.083 -13.943 Start of MODEL 20 1 H1 ASP 1 HT1 ASP 1 1.363 11.406 8.467 2 H2 ASP 1 HT2 ASP 1 1.943 10.150 9.431 3 H3 ASP 1 HT3 ASP 1 0.964 9.817 8.081 4 HA ASP 1 HA ASP 1 3.666 11.009 7.995 5 HB2 ASP 1 HB2 ASP 1 3.601 8.560 8.542 6 HB3 ASP 1 HB1 ASP 1 2.673 8.294 7.071 7 H VAL 2 H VAL 2 4.150 11.933 6.017 8 HA VAL 2 HA VAL 2 1.962 12.167 4.152 9 HB VAL 2 HB VAL 2 4.768 13.342 3.972 10 HG11 VAL 2 HG11 VAL 2 3.807 14.899 2.352 11 HG12 VAL 2 HG12 VAL 2 2.258 14.066 2.477 12 HG13 VAL 2 3HG1 VAL 2 3.659 13.224 1.812 13 HG21 VAL 2 HG21 VAL 2 3.617 14.172 5.955 14 HG22 VAL 2 HG22 VAL 2 2.223 14.622 4.974 15 HG23 VAL 2 HG23 VAL 2 3.765 15.446 4.745 16 H SER 3 H SER 3 1.746 10.203 3.284 17 HA SER 3 HA SER 3 4.063 8.894 2.093 18 HB2 SER 3 HB2 SER 3 1.273 7.838 2.491 19 HB3 SER 3 HB1 SER 3 2.734 6.911 2.150 20 HG SER 3 HG SER 3 3.327 8.228 4.321 21 HA PRO 4 HA PRO 4 2.491 9.969 -2.026 22 HB2 PRO 4 HB2 PRO 4 3.761 7.428 -2.837 23 HB3 PRO 4 HB1 PRO 4 4.062 9.047 -3.463 24 HG2 PRO 4 HG2 PRO 4 5.860 7.835 -1.926 25 HG3 PRO 4 HG1 PRO 4 5.531 9.569 -1.741 26 HD2 PRO 4 HD2 PRO 4 4.585 7.278 -0.053 27 HD3 PRO 4 HD1 PRO 4 5.187 8.877 0.436 28 H CYS 5 H CYS 5 0.641 9.401 -3.027 29 HA CYS 5 HA CYS 5 -1.106 7.498 -1.973 30 HB2 CYS 5 HB2 CYS 5 -1.799 9.521 -3.280 31 HB3 CYS 5 HB1 CYS 5 -1.137 8.702 -4.705 32 H PHE 6 H PHE 6 -0.743 5.392 -2.089 33 HA PHE 6 HA PHE 6 -0.304 4.298 -4.764 34 HB2 PHE 6 HB2 PHE 6 1.792 4.277 -3.265 35 HB3 PHE 6 HB1 PHE 6 0.942 3.058 -2.317 36 HD1 PHE 6 HD1 PHE 6 2.115 3.881 -5.667 37 HD2 PHE 6 HD2 PHE 6 0.936 0.807 -3.007 38 HE1 PHE 6 HE1 PHE 6 2.846 2.252 -7.290 39 HE2 PHE 6 HE2 PHE 6 1.674 -0.885 -4.627 40 HZ PHE 6 HZ PHE 6 2.633 -0.181 -6.785 41 H CYS 7 H CYS 7 -1.691 2.634 -5.229 42 HA CYS 7 HA CYS 7 -3.268 1.566 -2.999 43 HB2 CYS 7 HB2 CYS 7 -4.295 2.259 -5.739 44 HB3 CYS 7 HB1 CYS 7 -5.214 1.490 -4.467 45 H VAL 8 H VAL 8 -3.840 -0.507 -3.147 46 HA VAL 8 HA VAL 8 -3.033 -2.099 -5.472 47 HB VAL 8 HB VAL 8 -2.460 -3.072 -2.679 48 HG11 VAL 8 HG11 VAL 8 -2.608 -4.781 -4.319 49 HG12 VAL 8 HG12 VAL 8 -0.930 -4.636 -3.791 50 HG13 VAL 8 3HG1 VAL 8 -1.426 -3.967 -5.343 51 HG21 VAL 8 HG21 VAL 8 -0.057 -2.564 -2.940 52 HG22 VAL 8 HG22 VAL 8 -1.042 -1.100 -2.902 53 HG23 VAL 8 HG23 VAL 8 -0.419 -1.703 -4.436 54 H GLU 9 H GLU 9 -4.410 -3.951 -5.641 55 HA GLU 9 HA GLU 9 -6.687 -3.924 -3.824 56 HB2 GLU 9 HB2 GLU 9 -6.995 -4.084 -6.352 57 HB3 GLU 9 HB1 GLU 9 -6.276 -5.687 -6.242 58 HG2 GLU 9 HG2 GLU 9 -8.058 -6.388 -4.726 59 HG3 GLU 9 HG1 GLU 9 -8.770 -4.784 -4.827 60 H ASP 10 H ASP 10 -6.323 -4.982 -2.019 61 HA ASP 10 HA ASP 10 -4.287 -7.032 -2.018 62 HB2 ASP 10 HB2 ASP 10 -4.373 -5.210 -0.285 63 HB3 ASP 10 HB1 ASP 10 -5.848 -5.952 0.326 64 H GLU 11 H GLU 11 -4.889 -8.988 -2.442 65 HA GLU 11 HA GLU 11 -7.634 -9.827 -2.359 66 HB2 GLU 11 HB2 GLU 11 -5.932 -10.528 -4.098 67 HB3 GLU 11 HB1 GLU 11 -5.195 -11.535 -2.868 68 HG2 GLU 11 HG2 GLU 11 -6.626 -12.861 -4.318 69 HG3 GLU 11 HG1 GLU 11 -7.260 -12.834 -2.674 70 H THR 12 H THR 12 -5.057 -9.861 -0.122 71 HA THR 12 HA THR 12 -5.941 -12.191 1.296 72 HB THR 12 HB THR 12 -4.064 -9.998 2.208 73 HG1 THR 12 HG1 THR 12 -2.607 -10.860 0.970 74 HG21 THR 12 HG21 THR 12 -3.122 -11.757 3.655 75 HG22 THR 12 HG22 THR 12 -4.310 -12.904 3.036 76 HG23 THR 12 HG23 THR 12 -4.838 -11.523 3.997 77 H SER 13 H SER 13 -6.165 -8.697 1.632 78 HA SER 13 HA SER 13 -7.916 -8.781 3.905 79 HB2 SER 13 HB2 SER 13 -6.347 -6.879 3.402 80 HB3 SER 13 HB1 SER 13 -7.328 -6.549 1.978 81 HG SER 13 HG SER 13 -8.121 -6.375 4.695 82 H GLY 14 H GLY 14 -8.210 -8.597 0.424 83 HA2 GLY 14 HA2 GLY 14 -10.036 -9.373 -0.800 84 HA3 GLY 14 HA1 GLY 14 -11.025 -9.285 0.653 85 H ALA 15 H ALA 15 -8.996 -6.623 -0.128 86 HA ALA 15 HA ALA 15 -11.015 -5.176 -1.546 87 HB1 ALA 15 HB1 ALA 15 -10.372 -4.361 1.288 88 HB2 ALA 15 HB2 ALA 15 -11.909 -5.021 0.726 89 HB3 ALA 15 HB3 ALA 15 -11.358 -3.448 0.146 90 H LYS 16 H LYS 16 -10.263 -3.175 -2.294 91 HA LYS 16 HA LYS 16 -7.484 -2.844 -2.647 92 HB2 LYS 16 HB2 LYS 16 -9.198 -1.979 -4.243 93 HB3 LYS 16 HB1 LYS 16 -9.740 -0.885 -2.978 94 HG2 LYS 16 HG2 LYS 16 -7.624 0.275 -3.024 95 HG3 LYS 16 HG1 LYS 16 -7.032 -0.829 -4.257 96 HD2 LYS 16 HD2 LYS 16 -7.714 1.252 -5.308 97 HD3 LYS 16 HD1 LYS 16 -8.806 -0.034 -5.796 98 HE2 LYS 16 HE2 LYS 16 -9.474 1.867 -3.540 99 HE3 LYS 16 HE1 LYS 16 -9.804 2.259 -5.220 100 HZ1 LYS 16 HZ1 LYS 16 -10.984 -0.065 -3.728 101 HZ2 LYS 16 HZ2 LYS 16 -11.229 0.294 -5.342 102 HZ3 LYS 16 HZ3 LYS 16 -11.762 1.353 -4.170 103 H THR 17 H THR 17 -6.059 -1.586 -1.689 104 HA THR 17 HA THR 17 -6.948 -0.001 0.548 105 HB THR 17 HB THR 17 -6.160 -2.147 1.473 106 HG1 THR 17 HG1 THR 17 -5.699 -0.504 2.810 107 HG21 THR 17 HG21 THR 17 -4.639 -2.839 -0.323 108 HG22 THR 17 HG22 THR 17 -3.805 -2.851 1.231 109 HG23 THR 17 HG23 THR 17 -3.536 -1.529 0.094 110 H CYS 18 H CYS 18 -5.604 1.783 0.876 111 HA CYS 18 HA CYS 18 -3.543 2.250 -1.151 112 HB2 CYS 18 HB2 CYS 18 -5.624 4.258 -0.285 113 HB3 CYS 18 HB1 CYS 18 -4.309 4.541 -1.396 114 H VAL 19 H VAL 19 -2.247 4.144 -0.516 115 HA VAL 19 HA VAL 19 -2.334 4.710 2.307 116 HB VAL 19 HB VAL 19 -0.584 3.015 2.067 117 HG11 VAL 19 HG11 VAL 19 0.765 4.863 0.119 118 HG12 VAL 19 HG12 VAL 19 0.030 3.303 -0.243 119 HG13 VAL 19 3HG1 VAL 19 1.462 3.385 0.785 120 HG21 VAL 19 HG21 VAL 19 0.566 5.747 2.589 121 HG22 VAL 19 HG22 VAL 19 1.310 4.221 3.067 122 HG23 VAL 19 HG23 VAL 19 -0.238 4.701 3.759 123 HA PRO 20 HA PRO 20 -2.761 6.245 3.492 124 HB2 PRO 20 HB2 PRO 20 -4.571 8.268 3.551 125 HB3 PRO 20 HB1 PRO 20 -2.908 8.464 4.112 126 HG2 PRO 20 HG2 PRO 20 -4.137 9.227 1.497 127 HG3 PRO 20 HG1 PRO 20 -3.014 10.154 2.493 128 HD2 PRO 20 HD2 PRO 20 -2.178 8.782 0.319 129 HD3 PRO 20 HD1 PRO 20 -1.159 8.946 1.755 130 H ASP 21 H ASP 21 -5.005 5.696 3.982 131 HA ASP 21 HA ASP 21 -6.149 4.036 2.091 132 HB2 ASP 21 HB2 ASP 21 -6.633 3.748 4.442 133 HB3 ASP 21 HB1 ASP 21 -7.446 5.313 4.479 134 H ASN 22 H ASN 22 -7.397 4.256 0.446 135 HA ASN 22 HA ASN 22 -8.352 5.164 -1.294 136 HB2 ASN 22 HB2 ASN 22 -10.076 6.074 0.961 137 HB3 ASN 22 HB1 ASN 22 -10.414 6.583 -0.695 138 HD21 ASN 22 HD21 ASN 22 -11.142 5.098 -2.177 139 HD22 ASN 22 HD22 ASN 22 -11.613 3.494 -1.735 140 H CYS 23 H CYS 23 -6.040 6.635 -0.524 141 HA CYS 23 HA CYS 23 -6.354 9.369 -0.856 142 HB2 CYS 23 HB2 CYS 23 -4.042 9.330 -1.809 143 HB3 CYS 23 HB1 CYS 23 -4.186 8.384 -0.333 144 H ASP 24 H ASP 24 -6.368 6.817 -3.095 145 HA ASP 24 HA ASP 24 -6.696 8.562 -5.344 146 HB2 ASP 24 HB2 ASP 24 -5.352 6.643 -5.800 147 HB3 ASP 24 HB1 ASP 24 -6.598 5.557 -5.197 148 H ALA 25 H ALA 25 -8.368 9.469 -4.516 149 HA ALA 25 HA ALA 25 -10.913 8.284 -5.416 150 HB1 ALA 25 HB1 ALA 25 -10.440 10.304 -3.197 151 HB2 ALA 25 HB2 ALA 25 -10.993 8.644 -2.982 152 HB3 ALA 25 HB3 ALA 25 -12.028 9.822 -3.791 153 H SER 26 H SER 26 -8.629 9.689 -6.570 154 HA SER 26 HA SER 26 -9.415 12.381 -7.159 155 HB2 SER 26 HB2 SER 26 -7.126 10.636 -8.067 156 HB3 SER 26 HB1 SER 26 -7.229 12.375 -8.329 157 HG SER 26 HG SER 26 -7.630 12.282 -5.890 158 H ARG 27 H ARG 27 -9.760 13.095 -9.402 159 HA ARG 27 HA ARG 27 -10.637 10.947 -11.156 160 HB2 ARG 27 HB2 ARG 27 -12.165 13.511 -10.694 161 HB3 ARG 27 HB1 ARG 27 -12.592 12.233 -11.814 162 HG2 ARG 27 HG2 ARG 27 -12.878 10.712 -9.860 163 HG3 ARG 27 HG1 ARG 27 -12.626 12.108 -8.810 164 HD2 ARG 27 HD2 ARG 27 -14.825 11.715 -10.833 165 HD3 ARG 27 HD1 ARG 27 -14.983 11.778 -9.077 166 HE ARG 27 HE ARG 27 -13.917 14.159 -9.602 167 HH11 ARG 27 HH11 ARG 27 -16.703 12.514 -11.049 168 HH12 ARG 27 HH12 ARG 27 -17.466 13.953 -11.533 169 HH21 ARG 27 HH21 ARG 27 -14.974 16.110 -10.252 170 HH22 ARG 27 HH22 ARG 27 -16.478 16.036 -11.063 171 H GLY 28 H GLY 28 -10.959 11.798 -13.333 172 HA2 GLY 28 HA2 GLY 28 -10.312 13.076 -15.171 173 HA3 GLY 28 HA1 GLY 28 -9.406 14.133 -14.083 174 H THR 29 H THR 29 -7.622 12.982 -12.950 175 HA THR 29 HA THR 29 -6.139 11.447 -14.909 176 HB THR 29 HB THR 29 -4.982 13.486 -14.224 177 HG1 THR 29 HG1 THR 29 -3.555 11.567 -12.783 178 HG21 THR 29 HG21 THR 29 -5.175 12.484 -11.371 179 HG22 THR 29 HG22 THR 29 -6.006 13.890 -12.037 180 HG23 THR 29 HG23 THR 29 -4.248 13.892 -11.895 181 H ASN 30 H ASN 30 -6.124 9.345 -14.600 182 HA ASN 30 HA ASN 30 -6.928 8.351 -11.969 183 HB2 ASN 30 HB2 ASN 30 -7.239 7.125 -14.715 184 HB3 ASN 30 HB1 ASN 30 -7.509 6.223 -13.234 185 HD21 ASN 30 HD21 ASN 30 -9.661 5.864 -13.737 186 HD22 ASN 30 HD22 ASN 30 -10.853 7.109 -13.610 187 HA PRO 31 HA PRO 31 -2.718 6.777 -11.905 188 HB2 PRO 31 HB2 PRO 31 -3.169 6.121 -9.129 189 HB3 PRO 31 HB1 PRO 31 -2.122 7.372 -9.795 190 HG2 PRO 31 HG2 PRO 31 -4.438 7.842 -8.364 191 HG3 PRO 31 HG1 PRO 31 -3.672 9.001 -9.455 192 HD2 PRO 31 HD2 PRO 31 -6.067 7.298 -9.874 193 HD3 PRO 31 HD1 PRO 31 -5.666 8.897 -10.532
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