NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
628365 | 5xo3 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854 2 HA2 GLY 1 2HA GLY 1 1.422 0.342 -2.040 3 HA3 GLY 1 3HA GLY 1 2.903 0.685 -1.158 4 H SER 2 H SER 2 3.345 -1.605 0.237 5 HA SER 2 HA SER 2 3.385 -3.745 -1.776 6 HB2 SER 2 2HB SER 2 5.764 -2.907 -0.101 7 HB3 SER 2 3HB SER 2 5.722 -4.244 -1.251 8 HG SER 2 HG SER 2 6.307 -2.806 -2.657 9 H LYS 3 H LYS 3 4.263 -3.018 1.603 10 HA LYS 3 HA LYS 3 3.159 -5.641 2.361 11 HB2 LYS 3 2HB LYS 3 5.272 -3.937 3.682 12 HB3 LYS 3 3HB LYS 3 4.560 -5.356 4.439 13 HG2 LYS 3 2HG LYS 3 5.425 -6.106 1.849 14 HG3 LYS 3 3HG LYS 3 6.735 -5.210 2.623 15 HD2 LYS 3 2HD LYS 3 5.297 -7.312 4.178 16 HD3 LYS 3 3HD LYS 3 6.487 -7.803 2.969 17 HE2 LYS 3 2HE LYS 3 8.240 -6.928 4.142 18 HE3 LYS 3 3HE LYS 3 7.256 -5.666 4.883 19 HZ1 LYS 3 1HZ LYS 3 8.028 -7.430 6.435 20 HZ2 LYS 3 2HZ LYS 3 7.055 -8.536 5.604 21 HZ3 LYS 3 3HZ LYS 3 6.348 -7.225 6.406 22 H LYS 4 H LYS 4 1.706 -5.795 4.044 23 HA LYS 4 HA LYS 4 0.914 -3.391 5.478 24 HB2 LYS 4 2HB LYS 4 -1.436 -3.584 4.874 25 HB3 LYS 4 3HB LYS 4 -0.457 -3.349 3.431 26 HG2 LYS 4 2HG LYS 4 -1.489 -5.104 2.560 27 HG3 LYS 4 3HG LYS 4 -0.619 -6.107 3.724 28 HD2 LYS 4 2HD LYS 4 -2.754 -6.721 4.239 29 HD3 LYS 4 3HD LYS 4 -2.600 -5.323 5.307 30 HE2 LYS 4 2HE LYS 4 -4.261 -4.285 4.258 31 HE3 LYS 4 3HE LYS 4 -3.444 -4.466 2.706 32 HZ1 LYS 4 1HZ LYS 4 -5.001 -6.668 3.923 33 HZ2 LYS 4 2HZ LYS 4 -4.498 -6.503 2.317 34 HZ3 LYS 4 3HZ LYS 4 -5.722 -5.507 2.926 35 HA PRO 5 HA PRO 5 0.555 -6.440 8.661 36 HB2 PRO 5 2HB PRO 5 -0.606 -4.854 10.534 37 HB3 PRO 5 3HB PRO 5 1.108 -4.750 10.117 38 HG2 PRO 5 2HG PRO 5 -1.171 -3.039 9.202 39 HG3 PRO 5 3HG PRO 5 0.458 -2.555 9.709 40 HD2 PRO 5 2HD PRO 5 -0.264 -2.738 7.105 41 HD3 PRO 5 3HD PRO 5 1.386 -3.080 7.665 42 H VAL 6 H VAL 6 -0.929 -7.968 9.017 43 HA VAL 6 HA VAL 6 -3.778 -7.245 8.809 44 HB VAL 6 HB VAL 6 -2.656 -9.882 7.875 45 HG11 VAL 6 1HG1 VAL 6 -5.321 -8.519 7.506 46 HG12 VAL 6 2HG1 VAL 6 -4.841 -10.018 6.707 47 HG13 VAL 6 3HG1 VAL 6 -4.989 -9.962 8.464 48 HG21 VAL 6 1HG2 VAL 6 -3.328 -7.457 6.212 49 HG22 VAL 6 2HG2 VAL 6 -1.713 -8.106 6.492 50 HG23 VAL 6 3HG2 VAL 6 -2.897 -9.048 5.586 51 HA PRO 7 HA PRO 7 -3.762 -9.054 12.886 52 HB2 PRO 7 2HB PRO 7 -6.406 -8.666 13.362 53 HB3 PRO 7 3HB PRO 7 -5.210 -7.369 13.472 54 HG2 PRO 7 2HG PRO 7 -7.089 -8.029 11.237 55 HG3 PRO 7 3HG PRO 7 -6.668 -6.445 11.914 56 HD2 PRO 7 2HD PRO 7 -5.583 -7.382 9.617 57 HD3 PRO 7 3HD PRO 7 -4.694 -6.324 10.730 58 H ILE 8 H ILE 8 -5.831 -9.963 10.214 59 HA ILE 8 HA ILE 8 -6.868 -12.323 11.480 60 HB ILE 8 HB ILE 8 -8.112 -12.674 9.586 61 HG12 ILE 8 2HG1 ILE 8 -5.648 -11.824 8.191 62 HG13 ILE 8 3HG1 ILE 8 -6.763 -13.132 7.813 63 HG21 ILE 8 1HG2 ILE 8 -7.450 -9.780 9.117 64 HG22 ILE 8 2HG2 ILE 8 -8.985 -10.606 8.855 65 HG23 ILE 8 3HG2 ILE 8 -8.401 -10.331 10.496 66 HD11 ILE 8 1HD1 ILE 8 -8.347 -11.436 6.930 67 HD12 ILE 8 2HD1 ILE 8 -7.098 -10.215 7.174 68 HD13 ILE 8 3HD1 ILE 8 -6.827 -11.540 6.042 69 H ILE 9 H ILE 9 -6.655 -14.413 9.970 70 HA ILE 9 HA ILE 9 -3.814 -14.811 9.330 71 HB ILE 9 HB ILE 9 -3.846 -17.016 10.386 72 HG12 ILE 9 2HG1 ILE 9 -5.758 -17.496 11.991 73 HG13 ILE 9 3HG1 ILE 9 -6.643 -16.206 11.184 74 HG21 ILE 9 1HG2 ILE 9 -2.987 -15.201 11.695 75 HG22 ILE 9 2HG2 ILE 9 -4.611 -14.731 12.194 76 HG23 ILE 9 3HG2 ILE 9 -3.923 -16.256 12.754 77 HD11 ILE 9 1HD1 ILE 9 -5.492 -18.365 9.509 78 HD12 ILE 9 2HD1 ILE 9 -6.917 -18.726 10.485 79 HD13 ILE 9 3HD1 ILE 9 -6.969 -17.426 9.295 80 H TYR 10 H TYR 10 -3.583 -17.121 8.297 81 HA TYR 10 HA TYR 10 -5.725 -17.376 6.289 82 HB2 TYR 10 2HB TYR 10 -3.276 -16.630 5.664 83 HB3 TYR 10 3HB TYR 10 -2.945 -18.356 5.773 84 HD1 TYR 10 HD1 TYR 10 -3.833 -19.900 4.140 85 HD2 TYR 10 HD2 TYR 10 -4.752 -15.751 3.926 86 HE1 TYR 10 HE1 TYR 10 -4.680 -20.211 1.852 87 HE2 TYR 10 HE2 TYR 10 -5.602 -16.051 1.637 88 HH TYR 10 HH TYR 10 -4.928 -18.339 -0.288 89 H CYS 11 H CYS 11 -6.395 -19.427 5.660 90 HA CYS 11 HA CYS 11 -5.280 -21.731 7.073 91 HB2 CYS 11 2HB CYS 11 -7.757 -20.476 7.769 92 HB3 CYS 11 3HB CYS 11 -8.099 -22.064 7.091 93 H ASN 12 H ASN 12 -4.597 -22.827 5.322 94 HA ASN 12 HA ASN 12 -6.181 -22.963 2.911 95 HB2 ASN 12 2HB ASN 12 -3.496 -23.111 3.396 96 HB3 ASN 12 3HB ASN 12 -3.903 -24.810 3.176 97 HD21 ASN 12 1HD2 ASN 12 -3.812 -25.525 1.182 98 HD22 ASN 12 2HD2 ASN 12 -3.977 -24.576 -0.252 99 H ARG 13 H ARG 13 -8.019 -24.121 3.193 100 HA ARG 13 HA ARG 13 -8.465 -26.298 4.812 101 HB2 ARG 13 2HB ARG 13 -9.664 -25.686 2.106 102 HB3 ARG 13 3HB ARG 13 -10.289 -26.905 3.209 103 HG2 ARG 13 2HG ARG 13 -11.223 -25.380 4.587 104 HG3 ARG 13 3HG ARG 13 -9.947 -24.191 4.316 105 HD2 ARG 13 2HD ARG 13 -11.458 -23.112 3.070 106 HD3 ARG 13 3HD ARG 13 -11.139 -24.350 1.856 107 HE ARG 13 HE ARG 13 -13.123 -25.237 3.664 108 HH11 ARG 13 1HH1 ARG 13 -12.625 -23.036 1.013 109 HH12 ARG 13 2HH1 ARG 13 -14.278 -23.079 0.496 110 HH21 ARG 13 1HH2 ARG 13 -15.302 -25.303 2.993 111 HH22 ARG 13 2HH2 ARG 13 -15.800 -24.368 1.624 112 H ARG 14 H ARG 14 -6.330 -27.371 4.602 113 HA ARG 14 HA ARG 14 -6.535 -29.565 2.693 114 HB2 ARG 14 2HB ARG 14 -4.010 -27.929 2.991 115 HB3 ARG 14 3HB ARG 14 -4.208 -29.360 1.989 116 HG2 ARG 14 2HG ARG 14 -5.679 -26.760 1.615 117 HG3 ARG 14 3HG ARG 14 -4.274 -27.287 0.687 118 HD2 ARG 14 2HD ARG 14 -6.652 -29.076 0.847 119 HD3 ARG 14 3HD ARG 14 -6.719 -27.665 -0.208 120 HE ARG 14 HE ARG 14 -4.348 -28.937 -0.799 121 HH11 ARG 14 1HH1 ARG 14 -7.737 -29.734 -0.860 122 HH12 ARG 14 2HH1 ARG 14 -7.584 -30.851 -2.175 123 HH21 ARG 14 1HH2 ARG 14 -4.134 -30.406 -2.531 124 HH22 ARG 14 2HH2 ARG 14 -5.535 -31.233 -3.124 125 H THR 15 H THR 15 -3.887 -30.538 3.267 126 HA THR 15 HA THR 15 -4.443 -31.946 5.680 127 HB THR 15 HB THR 15 -3.239 -33.123 3.988 128 HG1 THR 15 HG1 THR 15 -2.039 -34.042 5.463 129 HG21 THR 15 1HG2 THR 15 -1.875 -30.640 3.658 130 HG22 THR 15 2HG2 THR 15 -1.813 -32.076 2.635 131 HG23 THR 15 3HG2 THR 15 -0.682 -31.898 3.976 132 H GLY 16 H GLY 16 -4.640 -29.779 6.879 133 HA2 GLY 16 2HA GLY 16 -3.848 -28.496 8.613 134 HA3 GLY 16 3HA GLY 16 -2.455 -29.566 8.665 135 H LYS 17 H LYS 17 -3.723 -27.195 6.321 136 HA LYS 17 HA LYS 17 -1.030 -25.998 6.250 137 HB2 LYS 17 2HB LYS 17 -2.985 -26.651 4.120 138 HB3 LYS 17 3HB LYS 17 -2.125 -25.126 3.945 139 HG2 LYS 17 2HG LYS 17 -0.040 -26.678 4.471 140 HG3 LYS 17 3HG LYS 17 -1.115 -27.906 3.798 141 HD2 LYS 17 2HD LYS 17 -1.220 -26.851 1.723 142 HD3 LYS 17 3HD LYS 17 -0.682 -25.303 2.377 143 HE2 LYS 17 2HE LYS 17 1.420 -25.802 1.867 144 HE3 LYS 17 3HE LYS 17 1.338 -27.244 2.878 145 HZ1 LYS 17 1HZ LYS 17 0.319 -28.397 0.944 146 HZ2 LYS 17 2HZ LYS 17 1.919 -27.913 0.689 147 HZ3 LYS 17 3HZ LYS 17 0.650 -27.032 0.000 148 H CYS 18 H CYS 18 -1.697 -24.676 8.074 149 HA CYS 18 HA CYS 18 -3.514 -22.489 7.302 150 HB2 CYS 18 2HB CYS 18 -3.830 -24.076 9.443 151 HB3 CYS 18 3HB CYS 18 -2.768 -22.864 10.153 152 H GLN 19 H GLN 19 -2.953 -20.339 8.039 153 HA GLN 19 HA GLN 19 -0.075 -19.965 8.522 154 HB2 GLN 19 2HB GLN 19 -1.522 -17.948 6.881 155 HB3 GLN 19 3HB GLN 19 0.167 -18.434 6.830 156 HG2 GLN 19 2HG GLN 19 -2.126 -20.095 5.812 157 HG3 GLN 19 3HG GLN 19 -1.104 -19.062 4.813 158 HE21 GLN 19 1HE2 GLN 19 -1.609 -22.074 5.125 159 HE22 GLN 19 2HE2 GLN 19 -0.017 -22.744 5.139 160 H ARG 20 H ARG 20 0.421 -17.719 9.314 161 HA ARG 20 HA ARG 20 -1.784 -16.488 10.789 162 HB2 ARG 20 2HB ARG 20 0.632 -17.780 11.979 163 HB3 ARG 20 3HB ARG 20 -0.008 -16.329 12.740 164 HG2 ARG 20 2HG ARG 20 -2.140 -17.390 13.087 165 HG3 ARG 20 3HG ARG 20 -1.611 -18.817 12.192 166 HD2 ARG 20 2HD ARG 20 -0.130 -17.863 14.618 167 HD3 ARG 20 3HD ARG 20 -1.557 -18.887 14.765 168 HE ARG 20 HE ARG 20 -0.007 -20.228 12.997 169 HH11 ARG 20 1HH1 ARG 20 0.559 -18.910 16.169 170 HH12 ARG 20 2HH1 ARG 20 1.742 -20.103 16.596 171 HH21 ARG 20 1HH2 ARG 20 1.548 -21.803 13.547 172 HH22 ARG 20 2HH2 ARG 20 2.304 -21.747 15.103 173 H PHE 21 H PHE 21 -1.766 -14.394 10.348 174 HA PHE 21 HA PHE 21 0.611 -13.131 9.289 175 HB2 PHE 21 2HB PHE 21 -2.066 -11.855 9.871 176 HB3 PHE 21 3HB PHE 21 -0.806 -11.250 8.801 177 HD1 PHE 21 HD1 PHE 21 -0.264 -14.164 7.711 178 HD2 PHE 21 HD2 PHE 21 -3.719 -11.709 8.093 179 HE1 PHE 21 HE1 PHE 21 -1.307 -15.343 5.819 180 HE2 PHE 21 HE2 PHE 21 -4.768 -12.883 6.203 181 HZ PHE 21 HZ PHE 21 -3.562 -14.703 5.063 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -0.277 -0.737 0.580 2 HA2 GLY 1 2HA GLY 1 0.181 -0.644 -1.720 3 HA3 GLY 1 3HA GLY 1 1.837 -0.186 -1.349 4 H SER 2 H SER 2 3.148 -1.963 -0.261 5 HA SER 2 HA SER 2 2.614 -4.475 -1.694 6 HB2 SER 2 2HB SER 2 4.835 -2.968 -1.856 7 HB3 SER 2 3HB SER 2 5.283 -3.982 -0.485 8 HG SER 2 HG SER 2 4.269 -5.059 -2.896 9 H LYS 3 H LYS 3 4.127 -3.378 1.346 10 HA LYS 3 HA LYS 3 3.308 -5.907 2.592 11 HB2 LYS 3 2HB LYS 3 5.255 -3.828 3.607 12 HB3 LYS 3 3HB LYS 3 4.945 -5.403 4.326 13 HG2 LYS 3 2HG LYS 3 5.814 -6.481 2.296 14 HG3 LYS 3 3HG LYS 3 6.169 -4.888 1.623 15 HD2 LYS 3 2HD LYS 3 8.026 -4.654 2.862 16 HD3 LYS 3 3HD LYS 3 7.256 -5.313 4.307 17 HE2 LYS 3 2HE LYS 3 8.096 -7.355 3.949 18 HE3 LYS 3 3HE LYS 3 7.698 -7.311 2.232 19 HZ1 LYS 3 1HZ LYS 3 9.956 -5.713 3.219 20 HZ2 LYS 3 2HZ LYS 3 9.716 -6.403 1.694 21 HZ3 LYS 3 3HZ LYS 3 10.163 -7.378 3.002 22 H LYS 4 H LYS 4 1.803 -5.975 4.146 23 HA LYS 4 HA LYS 4 1.097 -3.571 5.625 24 HB2 LYS 4 2HB LYS 4 -1.245 -3.653 5.072 25 HB3 LYS 4 3HB LYS 4 -0.323 -3.547 3.578 26 HG2 LYS 4 2HG LYS 4 -0.559 -6.024 3.352 27 HG3 LYS 4 3HG LYS 4 -1.657 -5.983 4.734 28 HD2 LYS 4 2HD LYS 4 -2.268 -4.056 2.597 29 HD3 LYS 4 3HD LYS 4 -2.436 -5.754 2.144 30 HE2 LYS 4 2HE LYS 4 -3.714 -5.896 4.439 31 HE3 LYS 4 3HE LYS 4 -3.932 -4.167 4.175 32 HZ1 LYS 4 1HZ LYS 4 -5.585 -4.639 2.804 33 HZ2 LYS 4 2HZ LYS 4 -5.340 -6.299 3.016 34 HZ3 LYS 4 3HZ LYS 4 -4.525 -5.474 1.784 35 HA PRO 5 HA PRO 5 0.786 -6.643 8.791 36 HB2 PRO 5 2HB PRO 5 -0.290 -5.056 10.713 37 HB3 PRO 5 3HB PRO 5 1.412 -4.976 10.243 38 HG2 PRO 5 2HG PRO 5 -0.866 -3.219 9.415 39 HG3 PRO 5 3HG PRO 5 0.786 -2.767 9.875 40 HD2 PRO 5 2HD PRO 5 -0.018 -2.914 7.294 41 HD3 PRO 5 3HD PRO 5 1.642 -3.288 7.799 42 H VAL 6 H VAL 6 -0.713 -8.149 9.179 43 HA VAL 6 HA VAL 6 -3.554 -7.377 9.068 44 HB VAL 6 HB VAL 6 -2.506 -10.022 8.072 45 HG11 VAL 6 1HG1 VAL 6 -5.159 -8.614 7.806 46 HG12 VAL 6 2HG1 VAL 6 -4.729 -10.110 6.974 47 HG13 VAL 6 3HG1 VAL 6 -4.819 -10.074 8.735 48 HG21 VAL 6 1HG2 VAL 6 -3.200 -7.574 6.451 49 HG22 VAL 6 2HG2 VAL 6 -1.582 -8.238 6.681 50 HG23 VAL 6 3HG2 VAL 6 -2.799 -9.163 5.801 51 HA PRO 7 HA PRO 7 -3.441 -9.230 13.123 52 HB2 PRO 7 2HB PRO 7 -6.062 -8.804 13.686 53 HB3 PRO 7 3HB PRO 7 -4.842 -7.528 13.771 54 HG2 PRO 7 2HG PRO 7 -6.801 -8.134 11.590 55 HG3 PRO 7 3HG PRO 7 -6.333 -6.564 12.269 56 HD2 PRO 7 2HD PRO 7 -5.336 -7.495 9.930 57 HD3 PRO 7 3HD PRO 7 -4.395 -6.462 11.026 58 H ILE 8 H ILE 8 -5.608 -10.077 10.510 59 HA ILE 8 HA ILE 8 -6.643 -12.433 11.783 60 HB ILE 8 HB ILE 8 -7.951 -12.745 9.926 61 HG12 ILE 8 2HG1 ILE 8 -5.517 -11.921 8.463 62 HG13 ILE 8 3HG1 ILE 8 -6.664 -13.207 8.108 63 HG21 ILE 8 1HG2 ILE 8 -8.807 -10.652 9.234 64 HG22 ILE 8 2HG2 ILE 8 -8.181 -10.412 10.865 65 HG23 ILE 8 3HG2 ILE 8 -7.252 -9.855 9.474 66 HD11 ILE 8 1HD1 ILE 8 -8.247 -11.478 7.290 67 HD12 ILE 8 2HD1 ILE 8 -6.972 -10.279 7.507 68 HD13 ILE 8 3HD1 ILE 8 -6.757 -11.596 6.355 69 H ILE 9 H ILE 9 -6.510 -14.511 10.248 70 HA ILE 9 HA ILE 9 -3.697 -14.947 9.516 71 HB ILE 9 HB ILE 9 -3.733 -17.163 10.551 72 HG12 ILE 9 2HG1 ILE 9 -5.602 -17.629 12.209 73 HG13 ILE 9 3HG1 ILE 9 -6.491 -16.317 11.443 74 HG21 ILE 9 1HG2 ILE 9 -2.803 -15.379 11.853 75 HG22 ILE 9 2HG2 ILE 9 -4.403 -14.882 12.401 76 HG23 ILE 9 3HG2 ILE 9 -3.730 -16.424 12.929 77 HD11 ILE 9 1HD1 ILE 9 -5.427 -18.476 9.711 78 HD12 ILE 9 2HD1 ILE 9 -6.826 -18.825 10.727 79 HD13 ILE 9 3HD1 ILE 9 -6.895 -17.512 9.552 80 H TYR 10 H TYR 10 -3.536 -17.250 8.453 81 HA TYR 10 HA TYR 10 -5.742 -17.450 6.510 82 HB2 TYR 10 2HB TYR 10 -3.303 -16.737 5.817 83 HB3 TYR 10 3HB TYR 10 -2.996 -18.468 5.900 84 HD1 TYR 10 HD1 TYR 10 -4.816 -15.816 4.133 85 HD2 TYR 10 HD2 TYR 10 -3.963 -19.981 4.281 86 HE1 TYR 10 HE1 TYR 10 -5.740 -16.079 1.869 87 HE2 TYR 10 HE2 TYR 10 -4.883 -20.256 2.017 88 HH TYR 10 HH TYR 10 -5.206 -18.127 -0.109 89 H CYS 11 H CYS 11 -6.465 -19.483 5.882 90 HA CYS 11 HA CYS 11 -5.345 -21.819 7.237 91 HB2 CYS 11 2HB CYS 11 -7.777 -20.531 8.023 92 HB3 CYS 11 3HB CYS 11 -8.169 -22.106 7.338 93 H ASN 12 H ASN 12 -4.735 -22.908 5.455 94 HA ASN 12 HA ASN 12 -6.395 -22.993 3.093 95 HB2 ASN 12 2HB ASN 12 -3.699 -23.189 3.492 96 HB3 ASN 12 3HB ASN 12 -4.141 -24.879 3.269 97 HD21 ASN 12 1HD2 ASN 12 -4.130 -25.577 1.266 98 HD22 ASN 12 2HD2 ASN 12 -4.321 -24.611 -0.153 99 H ARG 13 H ARG 13 -8.242 -24.124 3.421 100 HA ARG 13 HA ARG 13 -8.674 -26.310 5.031 101 HB2 ARG 13 2HB ARG 13 -10.540 -26.883 3.433 102 HB3 ARG 13 3HB ARG 13 -10.544 -25.229 4.032 103 HG2 ARG 13 2HG ARG 13 -9.352 -24.592 1.895 104 HG3 ARG 13 3HG ARG 13 -9.734 -26.214 1.315 105 HD2 ARG 13 2HD ARG 13 -12.019 -24.807 2.472 106 HD3 ARG 13 3HD ARG 13 -11.338 -24.008 1.055 107 HE ARG 13 HE ARG 13 -11.571 -26.644 0.345 108 HH11 ARG 13 1HH1 ARG 13 -13.736 -24.165 1.478 109 HH12 ARG 13 2HH1 ARG 13 -15.113 -24.802 0.642 110 HH21 ARG 13 1HH2 ARG 13 -13.376 -27.493 -0.761 111 HH22 ARG 13 2HH2 ARG 13 -14.907 -26.696 -0.630 112 H ARG 14 H ARG 14 -6.565 -27.414 4.745 113 HA ARG 14 HA ARG 14 -6.864 -29.586 2.823 114 HB2 ARG 14 2HB ARG 14 -4.306 -27.990 3.058 115 HB3 ARG 14 3HB ARG 14 -4.554 -29.412 2.052 116 HG2 ARG 14 2HG ARG 14 -5.999 -26.788 1.739 117 HG3 ARG 14 3HG ARG 14 -4.629 -27.329 0.766 118 HD2 ARG 14 2HD ARG 14 -7.033 -29.077 0.986 119 HD3 ARG 14 3HD ARG 14 -7.097 -27.665 -0.067 120 HE ARG 14 HE ARG 14 -5.625 -30.094 -0.509 121 HH11 ARG 14 1HH1 ARG 14 -5.842 -26.699 -1.252 122 HH12 ARG 14 2HH1 ARG 14 -4.986 -26.840 -2.752 123 HH21 ARG 14 1HH2 ARG 14 -4.498 -30.292 -2.482 124 HH22 ARG 14 2HH2 ARG 14 -4.223 -28.884 -3.452 125 H THR 15 H THR 15 -4.216 -30.608 3.305 126 HA THR 15 HA THR 15 -4.721 -32.030 5.721 127 HB THR 15 HB THR 15 -3.590 -33.210 3.981 128 HG1 THR 15 HG1 THR 15 -2.598 -34.115 5.618 129 HG21 THR 15 1HG2 THR 15 -2.196 -30.747 3.632 130 HG22 THR 15 2HG2 THR 15 -2.189 -32.173 2.595 131 HG23 THR 15 3HG2 THR 15 -1.014 -32.027 3.902 132 H GLY 16 H GLY 16 -4.845 -29.873 6.945 133 HA2 GLY 16 2HA GLY 16 -3.979 -28.621 8.667 134 HA3 GLY 16 3HA GLY 16 -2.602 -29.713 8.665 135 H LYS 17 H LYS 17 -3.903 -27.298 6.384 136 HA LYS 17 HA LYS 17 -1.194 -26.145 6.241 137 HB2 LYS 17 2HB LYS 17 -3.225 -26.742 4.166 138 HB3 LYS 17 3HB LYS 17 -2.344 -25.232 3.980 139 HG2 LYS 17 2HG LYS 17 -0.271 -26.822 4.422 140 HG3 LYS 17 3HG LYS 17 -1.387 -28.029 3.780 141 HD2 LYS 17 2HD LYS 17 -0.399 -27.308 1.841 142 HD3 LYS 17 3HD LYS 17 -1.773 -26.203 1.924 143 HE2 LYS 17 2HE LYS 17 -0.032 -24.758 3.313 144 HE3 LYS 17 3HE LYS 17 1.121 -25.688 2.357 145 HZ1 LYS 17 1HZ LYS 17 0.457 -23.555 1.332 146 HZ2 LYS 17 2HZ LYS 17 -1.126 -24.134 1.199 147 HZ3 LYS 17 3HZ LYS 17 0.126 -24.895 0.354 148 H CYS 18 H CYS 18 -1.783 -24.831 8.098 149 HA CYS 18 HA CYS 18 -3.586 -22.607 7.404 150 HB2 CYS 18 2HB CYS 18 -3.861 -24.211 9.539 151 HB3 CYS 18 3HB CYS 18 -2.759 -23.022 10.226 152 H GLN 19 H GLN 19 -2.967 -20.474 8.143 153 HA GLN 19 HA GLN 19 -0.069 -20.152 8.540 154 HB2 GLN 19 2HB GLN 19 -1.533 -18.094 6.966 155 HB3 GLN 19 3HB GLN 19 0.146 -18.608 6.857 156 HG2 GLN 19 2HG GLN 19 -2.205 -20.222 5.895 157 HG3 GLN 19 3HG GLN 19 -1.200 -19.194 4.874 158 HE21 GLN 19 1HE2 GLN 19 1.295 -19.696 5.638 159 HE22 GLN 19 2HE2 GLN 19 1.700 -21.360 5.414 160 H ARG 20 H ARG 20 0.488 -17.922 9.338 161 HA ARG 20 HA ARG 20 -1.650 -16.671 10.894 162 HB2 ARG 20 2HB ARG 20 0.991 -17.410 12.155 163 HB3 ARG 20 3HB ARG 20 -0.425 -16.734 12.949 164 HG2 ARG 20 2HG ARG 20 -1.653 -18.829 12.383 165 HG3 ARG 20 3HG ARG 20 -0.128 -19.495 11.794 166 HD2 ARG 20 2HD ARG 20 -0.497 -20.238 14.055 167 HD3 ARG 20 3HD ARG 20 0.857 -19.109 14.028 168 HE ARG 20 HE ARG 20 -1.250 -17.521 14.608 169 HH11 ARG 20 1HH1 ARG 20 -0.057 -20.494 15.970 170 HH12 ARG 20 2HH1 ARG 20 -0.630 -20.145 17.568 171 HH21 ARG 20 1HH2 ARG 20 -2.009 -17.049 16.707 172 HH22 ARG 20 2HH2 ARG 20 -1.741 -18.185 17.985 173 H PHE 21 H PHE 21 -1.611 -14.574 10.474 174 HA PHE 21 HA PHE 21 0.751 -13.338 9.352 175 HB2 PHE 21 2HB PHE 21 -1.885 -12.026 10.031 176 HB3 PHE 21 3HB PHE 21 -0.649 -11.429 8.928 177 HD1 PHE 21 HD1 PHE 21 -0.189 -14.341 7.793 178 HD2 PHE 21 HD2 PHE 21 -3.590 -11.834 8.307 179 HE1 PHE 21 HE1 PHE 21 -1.309 -15.482 5.923 180 HE2 PHE 21 HE2 PHE 21 -4.716 -12.972 6.439 181 HZ PHE 21 HZ PHE 21 -3.576 -14.799 5.245 Start of MODEL 3 1 H1 GLY 1 H GLY 1 0.359 -3.154 -1.453 2 HA2 GLY 1 2HA GLY 1 2.265 -1.201 -2.236 3 HA3 GLY 1 3HA GLY 1 2.092 -1.211 -0.488 4 H SER 2 H SER 2 3.986 -2.089 0.144 5 HA SER 2 HA SER 2 4.950 -4.516 -1.158 6 HB2 SER 2 2HB SER 2 6.381 -2.439 -0.406 7 HB3 SER 2 3HB SER 2 6.343 -3.237 1.166 8 HG SER 2 HG SER 2 8.144 -3.804 -0.259 9 H LYS 3 H LYS 3 4.503 -3.440 2.216 10 HA LYS 3 HA LYS 3 3.530 -6.138 2.861 11 HB2 LYS 3 2HB LYS 3 4.776 -6.092 4.970 12 HB3 LYS 3 3HB LYS 3 5.860 -5.990 3.589 13 HG2 LYS 3 2HG LYS 3 5.425 -3.361 4.125 14 HG3 LYS 3 3HG LYS 3 5.358 -4.070 5.740 15 HD2 LYS 3 2HD LYS 3 7.540 -4.898 5.593 16 HD3 LYS 3 3HD LYS 3 7.577 -4.743 3.835 17 HE2 LYS 3 2HE LYS 3 7.126 -2.227 5.274 18 HE3 LYS 3 3HE LYS 3 8.690 -2.977 5.589 19 HZ1 LYS 3 1HZ LYS 3 7.713 -1.702 3.198 20 HZ2 LYS 3 2HZ LYS 3 8.471 -3.186 2.912 21 HZ3 LYS 3 3HZ LYS 3 9.303 -1.953 3.718 22 H LYS 4 H LYS 4 1.942 -6.259 4.430 23 HA LYS 4 HA LYS 4 1.096 -3.833 5.794 24 HB2 LYS 4 2HB LYS 4 -0.757 -5.357 3.954 25 HB3 LYS 4 3HB LYS 4 -1.226 -4.029 5.007 26 HG2 LYS 4 2HG LYS 4 0.528 -2.663 3.715 27 HG3 LYS 4 3HG LYS 4 0.440 -3.961 2.522 28 HD2 LYS 4 2HD LYS 4 -1.099 -2.314 1.809 29 HD3 LYS 4 3HD LYS 4 -2.068 -3.607 2.519 30 HE2 LYS 4 2HE LYS 4 -1.252 -1.577 4.449 31 HE3 LYS 4 3HE LYS 4 -2.240 -0.934 3.139 32 HZ1 LYS 4 1HZ LYS 4 -3.109 -2.307 5.375 33 HZ2 LYS 4 2HZ LYS 4 -3.327 -3.370 4.078 34 HZ3 LYS 4 3HZ LYS 4 -4.035 -1.834 4.041 35 HA PRO 5 HA PRO 5 0.389 -6.868 8.933 36 HB2 PRO 5 2HB PRO 5 -0.884 -5.249 10.702 37 HB3 PRO 5 3HB PRO 5 0.862 -5.191 10.432 38 HG2 PRO 5 2HG PRO 5 -1.286 -3.421 9.329 39 HG3 PRO 5 3HG PRO 5 0.306 -2.980 9.972 40 HD2 PRO 5 2HD PRO 5 -0.197 -3.147 7.317 41 HD3 PRO 5 3HD PRO 5 1.390 -3.532 8.014 42 H VAL 6 H VAL 6 -1.160 -8.355 9.158 43 HA VAL 6 HA VAL 6 -3.961 -7.557 8.712 44 HB VAL 6 HB VAL 6 -2.835 -10.224 7.873 45 HG11 VAL 6 1HG1 VAL 6 -5.210 -10.242 8.263 46 HG12 VAL 6 2HG1 VAL 6 -5.421 -8.792 7.279 47 HG13 VAL 6 3HG1 VAL 6 -4.914 -10.305 6.525 48 HG21 VAL 6 1HG2 VAL 6 -1.727 -8.495 6.570 49 HG22 VAL 6 2HG2 VAL 6 -2.877 -9.378 5.567 50 HG23 VAL 6 3HG2 VAL 6 -3.286 -7.773 6.172 51 HA PRO 7 HA PRO 7 -4.338 -9.362 12.773 52 HB2 PRO 7 2HB PRO 7 -7.002 -8.904 13.025 53 HB3 PRO 7 3HB PRO 7 -5.785 -7.639 13.237 54 HG2 PRO 7 2HG PRO 7 -7.485 -8.251 10.850 55 HG3 PRO 7 3HG PRO 7 -7.081 -6.678 11.562 56 HD2 PRO 7 2HD PRO 7 -5.831 -7.646 9.364 57 HD3 PRO 7 3HD PRO 7 -5.012 -6.610 10.550 58 H ILE 8 H ILE 8 -6.197 -10.218 9.935 59 HA ILE 8 HA ILE 8 -7.400 -12.549 11.105 60 HB ILE 8 HB ILE 8 -8.488 -12.869 9.113 61 HG12 ILE 8 2HG1 ILE 8 -5.892 -12.086 7.932 62 HG13 ILE 8 3HG1 ILE 8 -7.006 -13.365 7.459 63 HG21 ILE 8 1HG2 ILE 8 -9.230 -10.774 8.300 64 HG22 ILE 8 2HG2 ILE 8 -8.806 -10.528 9.993 65 HG23 ILE 8 3HG2 ILE 8 -7.707 -9.991 8.722 66 HD11 ILE 8 1HD1 ILE 8 -8.464 -11.628 6.448 67 HD12 ILE 8 2HD1 ILE 8 -7.207 -10.440 6.798 68 HD13 ILE 8 3HD1 ILE 8 -6.877 -11.773 5.692 69 H ILE 9 H ILE 9 -7.114 -14.646 9.617 70 HA ILE 9 HA ILE 9 -4.241 -15.119 9.219 71 HB ILE 9 HB ILE 9 -4.420 -17.322 10.266 72 HG12 ILE 9 2HG1 ILE 9 -6.474 -17.749 11.702 73 HG13 ILE 9 3HG1 ILE 9 -7.253 -16.438 10.825 74 HG21 ILE 9 1HG2 ILE 9 -3.628 -15.529 11.646 75 HG22 ILE 9 2HG2 ILE 9 -5.276 -15.016 12.005 76 HG23 ILE 9 3HG2 ILE 9 -4.679 -16.557 12.620 77 HD11 ILE 9 1HD1 ILE 9 -6.021 -18.627 9.251 78 HD12 ILE 9 2HD1 ILE 9 -7.532 -18.951 10.102 79 HD13 ILE 9 3HD1 ILE 9 -7.450 -17.651 8.913 80 H TYR 10 H TYR 10 -3.984 -17.436 8.206 81 HA TYR 10 HA TYR 10 -5.954 -17.636 6.024 82 HB2 TYR 10 2HB TYR 10 -3.442 -16.956 5.610 83 HB3 TYR 10 3HB TYR 10 -3.168 -18.689 5.744 84 HD1 TYR 10 HD1 TYR 10 -4.746 -16.038 3.756 85 HD2 TYR 10 HD2 TYR 10 -3.955 -20.209 4.038 86 HE1 TYR 10 HE1 TYR 10 -5.407 -16.316 1.403 87 HE2 TYR 10 HE2 TYR 10 -4.611 -20.498 1.686 88 HH TYR 10 HH TYR 10 -6.065 -17.914 -0.147 89 H CYS 11 H CYS 11 -6.622 -19.669 5.338 90 HA CYS 11 HA CYS 11 -5.692 -22.001 6.837 91 HB2 CYS 11 2HB CYS 11 -8.185 -20.680 7.323 92 HB3 CYS 11 3HB CYS 11 -8.512 -22.258 6.615 93 H ASN 12 H ASN 12 -4.892 -23.116 5.149 94 HA ASN 12 HA ASN 12 -6.269 -23.212 2.612 95 HB2 ASN 12 2HB ASN 12 -3.640 -23.430 3.322 96 HB3 ASN 12 3HB ASN 12 -4.072 -25.119 3.067 97 HD21 ASN 12 1HD2 ASN 12 -3.835 -25.840 1.087 98 HD22 ASN 12 2HD2 ASN 12 -3.851 -24.888 -0.355 99 H ARG 13 H ARG 13 -8.154 -24.321 2.735 100 HA ARG 13 HA ARG 13 -8.794 -26.483 4.307 101 HB2 ARG 13 2HB ARG 13 -9.742 -25.777 1.530 102 HB3 ARG 13 3HB ARG 13 -10.461 -27.059 2.495 103 HG2 ARG 13 2HG ARG 13 -10.279 -24.201 3.410 104 HG3 ARG 13 3HG ARG 13 -11.668 -24.871 2.552 105 HD2 ARG 13 2HD ARG 13 -11.353 -26.710 4.509 106 HD3 ARG 13 3HD ARG 13 -10.784 -25.260 5.334 107 HE ARG 13 HE ARG 13 -12.948 -24.560 5.454 108 HH11 ARG 13 1HH1 ARG 13 -12.683 -26.894 2.885 109 HH12 ARG 13 2HH1 ARG 13 -14.384 -26.919 2.556 110 HH21 ARG 13 1HH2 ARG 13 -15.189 -24.584 5.031 111 HH22 ARG 13 2HH2 ARG 13 -15.809 -25.604 3.777 112 H ARG 14 H ARG 14 -6.679 -27.613 4.278 113 HA ARG 14 HA ARG 14 -6.779 -29.803 2.356 114 HB2 ARG 14 2HB ARG 14 -4.247 -28.231 2.870 115 HB3 ARG 14 3HB ARG 14 -4.394 -29.660 1.856 116 HG2 ARG 14 2HG ARG 14 -5.761 -27.025 1.354 117 HG3 ARG 14 3HG ARG 14 -4.296 -27.591 0.549 118 HD2 ARG 14 2HD ARG 14 -6.727 -29.314 0.508 119 HD3 ARG 14 3HD ARG 14 -6.661 -27.909 -0.554 120 HE ARG 14 HE ARG 14 -4.307 -29.512 -0.742 121 HH11 ARG 14 1HH1 ARG 14 -7.615 -29.248 -1.794 122 HH12 ARG 14 2HH1 ARG 14 -7.361 -30.148 -3.252 123 HH21 ARG 14 1HH2 ARG 14 -3.959 -30.699 -2.658 124 HH22 ARG 14 2HH2 ARG 14 -5.281 -30.974 -3.742 125 H THR 15 H THR 15 -4.215 -30.845 3.152 126 HA THR 15 HA THR 15 -5.012 -32.235 5.508 127 HB THR 15 HB THR 15 -3.700 -33.445 3.922 128 HG1 THR 15 HG1 THR 15 -2.115 -34.231 5.299 129 HG21 THR 15 1HG2 THR 15 -2.138 -32.438 2.696 130 HG22 THR 15 2HG2 THR 15 -1.119 -32.290 4.128 131 HG23 THR 15 3HG2 THR 15 -2.248 -31.001 3.712 132 H GLY 16 H GLY 16 -5.252 -30.062 6.688 133 HA2 GLY 16 2HA GLY 16 -4.577 -28.800 8.485 134 HA3 GLY 16 3HA GLY 16 -3.222 -29.906 8.653 135 H LYS 17 H LYS 17 -4.223 -27.504 6.213 136 HA LYS 17 HA LYS 17 -1.503 -26.379 6.372 137 HB2 LYS 17 2HB LYS 17 -3.286 -26.981 4.083 138 HB3 LYS 17 3HB LYS 17 -2.373 -25.481 3.984 139 HG2 LYS 17 2HG LYS 17 -0.384 -27.090 4.683 140 HG3 LYS 17 3HG LYS 17 -1.431 -28.289 3.920 141 HD2 LYS 17 2HD LYS 17 -1.101 -25.786 2.414 142 HD3 LYS 17 3HD LYS 17 0.367 -26.749 2.592 143 HE2 LYS 17 2HE LYS 17 -1.131 -28.726 1.858 144 HE3 LYS 17 3HE LYS 17 -2.225 -27.473 1.274 145 HZ1 LYS 17 1HZ LYS 17 -0.426 -26.598 -0.090 146 HZ2 LYS 17 2HZ LYS 17 -0.741 -28.215 -0.472 147 HZ3 LYS 17 3HZ LYS 17 0.612 -27.815 0.461 148 H CYS 18 H CYS 18 -2.287 -25.038 8.134 149 HA CYS 18 HA CYS 18 -3.974 -22.804 7.214 150 HB2 CYS 18 2HB CYS 18 -4.513 -24.380 9.318 151 HB3 CYS 18 3HB CYS 18 -3.482 -23.198 10.117 152 H GLN 19 H GLN 19 -3.420 -20.670 7.998 153 HA GLN 19 HA GLN 19 -0.585 -20.372 8.724 154 HB2 GLN 19 2HB GLN 19 -1.834 -18.319 6.969 155 HB3 GLN 19 3HB GLN 19 -0.159 -18.849 7.062 156 HG2 GLN 19 2HG GLN 19 -2.401 -20.450 5.849 157 HG3 GLN 19 3HG GLN 19 -1.270 -19.446 4.942 158 HE21 GLN 19 1HE2 GLN 19 1.117 -19.953 5.819 159 HE22 GLN 19 2HE2 GLN 19 1.522 -21.630 5.732 160 H ARG 20 H ARG 20 -0.099 -18.138 9.558 161 HA ARG 20 HA ARG 20 -2.388 -16.848 10.842 162 HB2 ARG 20 2HB ARG 20 -1.070 -16.758 12.998 163 HB3 ARG 20 3HB ARG 20 -1.710 -18.337 12.562 164 HG2 ARG 20 2HG ARG 20 0.315 -19.229 12.600 165 HG3 ARG 20 3HG ARG 20 0.922 -18.014 11.472 166 HD2 ARG 20 2HD ARG 20 1.274 -16.466 13.336 167 HD3 ARG 20 3HD ARG 20 0.666 -17.682 14.460 168 HE ARG 20 HE ARG 20 2.846 -18.674 12.925 169 HH11 ARG 20 1HH1 ARG 20 2.046 -16.646 15.639 170 HH12 ARG 20 2HH1 ARG 20 3.569 -16.882 16.431 171 HH21 ARG 20 1HH2 ARG 20 4.855 -18.993 13.958 172 HH22 ARG 20 2HH2 ARG 20 5.166 -18.217 15.474 173 H PHE 21 H PHE 21 -2.277 -14.756 10.407 174 HA PHE 21 HA PHE 21 0.214 -13.557 9.555 175 HB2 PHE 21 2HB PHE 21 -2.468 -12.210 9.910 176 HB3 PHE 21 3HB PHE 21 -1.106 -11.640 8.951 177 HD1 PHE 21 HD1 PHE 21 -0.551 -14.568 7.907 178 HD2 PHE 21 HD2 PHE 21 -3.960 -12.021 7.998 179 HE1 PHE 21 HE1 PHE 21 -1.460 -15.720 5.932 180 HE2 PHE 21 HE2 PHE 21 -4.875 -13.170 6.024 181 HZ PHE 21 HZ PHE 21 -3.625 -15.022 4.989 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -0.093 -1.959 -0.042 2 HA2 GLY 1 2HA GLY 1 0.496 -2.352 -2.831 3 HA3 GLY 1 3HA GLY 1 1.368 -1.311 -1.716 4 H SER 2 H SER 2 2.697 -2.547 -0.039 5 HA SER 2 HA SER 2 4.030 -4.803 -1.390 6 HB2 SER 2 2HB SER 2 6.051 -4.030 0.017 7 HB3 SER 2 3HB SER 2 5.603 -3.051 -1.380 8 HG SER 2 HG SER 2 4.635 -1.580 -0.018 9 H LYS 3 H LYS 3 3.991 -3.428 1.900 10 HA LYS 3 HA LYS 3 3.318 -6.107 2.919 11 HB2 LYS 3 2HB LYS 3 4.775 -5.632 4.877 12 HB3 LYS 3 3HB LYS 3 5.661 -5.752 3.363 13 HG2 LYS 3 2HG LYS 3 5.679 -3.278 3.233 14 HG3 LYS 3 3HG LYS 3 4.916 -3.227 4.824 15 HD2 LYS 3 2HD LYS 3 7.097 -3.049 5.463 16 HD3 LYS 3 3HD LYS 3 6.959 -4.809 5.434 17 HE2 LYS 3 2HE LYS 3 8.811 -4.654 4.153 18 HE3 LYS 3 3HE LYS 3 7.637 -4.354 2.872 19 HZ1 LYS 3 1HZ LYS 3 9.680 -2.742 3.387 20 HZ2 LYS 3 2HZ LYS 3 8.508 -2.024 4.373 21 HZ3 LYS 3 3HZ LYS 3 8.225 -2.201 2.715 22 H LYS 4 H LYS 4 1.743 -6.200 4.421 23 HA LYS 4 HA LYS 4 0.947 -3.805 5.868 24 HB2 LYS 4 2HB LYS 4 -1.426 -4.057 5.201 25 HB3 LYS 4 3HB LYS 4 -0.383 -3.613 3.857 26 HG2 LYS 4 2HG LYS 4 -0.413 -6.383 3.804 27 HG3 LYS 4 3HG LYS 4 -2.073 -5.932 4.201 28 HD2 LYS 4 2HD LYS 4 -2.413 -4.888 2.198 29 HD3 LYS 4 3HD LYS 4 -0.716 -4.436 2.021 30 HE2 LYS 4 2HE LYS 4 -1.063 -6.065 0.377 31 HE3 LYS 4 3HE LYS 4 -0.272 -6.931 1.693 32 HZ1 LYS 4 1HZ LYS 4 -2.068 -8.193 2.043 33 HZ2 LYS 4 2HZ LYS 4 -2.537 -7.723 0.487 34 HZ3 LYS 4 3HZ LYS 4 -3.155 -6.913 1.838 35 HA PRO 5 HA PRO 5 0.423 -6.898 8.985 36 HB2 PRO 5 2HB PRO 5 -0.772 -5.321 10.844 37 HB3 PRO 5 3HB PRO 5 0.957 -5.243 10.487 38 HG2 PRO 5 2HG PRO 5 -1.257 -3.473 9.524 39 HG3 PRO 5 3HG PRO 5 0.362 -3.030 10.094 40 HD2 PRO 5 2HD PRO 5 -0.273 -3.156 7.465 41 HD3 PRO 5 3HD PRO 5 1.350 -3.539 8.075 42 H VAL 6 H VAL 6 -1.101 -8.403 9.263 43 HA VAL 6 HA VAL 6 -3.927 -7.621 8.974 44 HB VAL 6 HB VAL 6 -2.823 -10.262 8.027 45 HG11 VAL 6 1HG1 VAL 6 -4.968 -10.344 6.792 46 HG12 VAL 6 2HG1 VAL 6 -5.178 -10.302 8.544 47 HG13 VAL 6 3HG1 VAL 6 -5.448 -8.845 7.587 48 HG21 VAL 6 1HG2 VAL 6 -3.382 -7.782 6.402 49 HG22 VAL 6 2HG2 VAL 6 -1.799 -8.500 6.700 50 HG23 VAL 6 3HG2 VAL 6 -2.997 -9.371 5.743 51 HA PRO 7 HA PRO 7 -4.080 -9.505 13.014 52 HB2 PRO 7 2HB PRO 7 -6.730 -9.071 13.412 53 HB3 PRO 7 3HB PRO 7 -5.513 -7.802 13.585 54 HG2 PRO 7 2HG PRO 7 -7.330 -8.381 11.278 55 HG3 PRO 7 3HG PRO 7 -6.900 -6.819 11.998 56 HD2 PRO 7 2HD PRO 7 -5.760 -7.736 9.720 57 HD3 PRO 7 3HD PRO 7 -4.886 -6.716 10.882 58 H ILE 8 H ILE 8 -6.081 -10.320 10.261 59 HA ILE 8 HA ILE 8 -7.206 -12.681 11.446 60 HB ILE 8 HB ILE 8 -8.391 -12.974 9.505 61 HG12 ILE 8 2HG1 ILE 8 -5.864 -12.145 8.210 62 HG13 ILE 8 3HG1 ILE 8 -6.989 -13.426 7.771 63 HG21 ILE 8 1HG2 ILE 8 -7.655 -10.084 9.118 64 HG22 ILE 8 2HG2 ILE 8 -9.194 -10.873 8.780 65 HG23 ILE 8 3HG2 ILE 8 -8.669 -10.645 10.447 66 HD11 ILE 8 1HD1 ILE 8 -6.967 -11.803 6.028 67 HD12 ILE 8 2HD1 ILE 8 -8.513 -11.682 6.870 68 HD13 ILE 8 3HD1 ILE 8 -7.247 -10.492 7.174 69 H ILE 9 H ILE 9 -6.983 -14.749 9.906 70 HA ILE 9 HA ILE 9 -4.131 -15.194 9.354 71 HB ILE 9 HB ILE 9 -4.243 -17.416 10.368 72 HG12 ILE 9 2HG1 ILE 9 -6.217 -17.886 11.898 73 HG13 ILE 9 3HG1 ILE 9 -7.049 -16.563 11.087 74 HG21 ILE 9 1HG2 ILE 9 -3.393 -15.644 11.740 75 HG22 ILE 9 2HG2 ILE 9 -5.023 -15.147 12.190 76 HG23 ILE 9 3HG2 ILE 9 -4.388 -16.695 12.746 77 HD11 ILE 9 1HD1 ILE 9 -7.336 -17.742 9.165 78 HD12 ILE 9 2HD1 ILE 9 -5.886 -18.716 9.412 79 HD13 ILE 9 3HD1 ILE 9 -7.349 -19.064 10.332 80 H TYR 10 H TYR 10 -3.912 -17.490 8.287 81 HA TYR 10 HA TYR 10 -5.989 -17.664 6.204 82 HB2 TYR 10 2HB TYR 10 -3.505 -16.960 5.677 83 HB3 TYR 10 3HB TYR 10 -3.214 -18.693 5.765 84 HD1 TYR 10 HD1 TYR 10 -4.908 -16.018 3.908 85 HD2 TYR 10 HD2 TYR 10 -4.075 -20.187 4.073 86 HE1 TYR 10 HE1 TYR 10 -5.685 -16.259 1.587 87 HE2 TYR 10 HE2 TYR 10 -4.848 -20.439 1.752 88 HH TYR 10 HH TYR 10 -5.523 -17.713 -0.268 89 H CYS 11 H CYS 11 -6.678 -19.690 5.515 90 HA CYS 11 HA CYS 11 -5.659 -22.041 6.922 91 HB2 CYS 11 2HB CYS 11 -8.132 -20.747 7.557 92 HB3 CYS 11 3HB CYS 11 -8.484 -22.315 6.839 93 H ASN 12 H ASN 12 -4.940 -23.120 5.175 94 HA ASN 12 HA ASN 12 -6.444 -23.180 2.711 95 HB2 ASN 12 2HB ASN 12 -3.780 -23.393 3.282 96 HB3 ASN 12 3HB ASN 12 -4.214 -25.079 3.017 97 HD21 ASN 12 1HD2 ASN 12 -4.068 -25.760 1.015 98 HD22 ASN 12 2HD2 ASN 12 -4.166 -24.782 -0.406 99 H ARG 13 H ARG 13 -8.313 -24.305 2.910 100 HA ARG 13 HA ARG 13 -8.858 -26.499 4.472 101 HB2 ARG 13 2HB ARG 13 -9.952 -25.825 1.737 102 HB3 ARG 13 3HB ARG 13 -10.643 -27.037 2.807 103 HG2 ARG 13 2HG ARG 13 -11.950 -25.379 3.522 104 HG3 ARG 13 3HG ARG 13 -10.534 -24.854 4.435 105 HD2 ARG 13 2HD ARG 13 -10.046 -23.158 2.963 106 HD3 ARG 13 3HD ARG 13 -10.834 -23.966 1.608 107 HE ARG 13 HE ARG 13 -12.754 -22.867 2.150 108 HH11 ARG 13 1HH1 ARG 13 -10.681 -22.918 4.946 109 HH12 ARG 13 2HH1 ARG 13 -11.723 -21.914 5.899 110 HH21 ARG 13 1HH2 ARG 13 -14.135 -21.545 3.395 111 HH22 ARG 13 2HH2 ARG 13 -13.688 -21.135 5.016 112 H ARG 14 H ARG 14 -6.740 -27.612 4.314 113 HA ARG 14 HA ARG 14 -6.924 -29.769 2.360 114 HB2 ARG 14 2HB ARG 14 -4.378 -28.191 2.772 115 HB3 ARG 14 3HB ARG 14 -4.571 -29.600 1.737 116 HG2 ARG 14 2HG ARG 14 -5.975 -26.962 1.364 117 HG3 ARG 14 3HG ARG 14 -4.550 -27.502 0.473 118 HD2 ARG 14 2HD ARG 14 -6.966 -29.244 0.519 119 HD3 ARG 14 3HD ARG 14 -6.973 -27.811 -0.508 120 HE ARG 14 HE ARG 14 -5.555 -30.240 -0.969 121 HH11 ARG 14 1HH1 ARG 14 -5.434 -26.794 -1.452 122 HH12 ARG 14 2HH1 ARG 14 -4.424 -26.895 -2.856 123 HH21 ARG 14 1HH2 ARG 14 -4.225 -30.386 -2.816 124 HH22 ARG 14 2HH2 ARG 14 -3.737 -28.938 -3.632 125 H THR 15 H THR 15 -4.316 -30.806 3.004 126 HA THR 15 HA THR 15 -4.983 -32.245 5.371 127 HB THR 15 HB THR 15 -3.746 -33.416 3.698 128 HG1 THR 15 HG1 THR 15 -3.118 -34.103 5.713 129 HG21 THR 15 1HG2 THR 15 -1.165 -32.246 3.794 130 HG22 THR 15 2HG2 THR 15 -2.322 -30.957 3.461 131 HG23 THR 15 3HG2 THR 15 -2.255 -32.374 2.414 132 H GLY 16 H GLY 16 -5.177 -30.095 6.602 133 HA2 GLY 16 2HA GLY 16 -4.419 -28.860 8.385 134 HA3 GLY 16 3HA GLY 16 -3.050 -29.959 8.464 135 H LYS 17 H LYS 17 -4.189 -27.521 6.123 136 HA LYS 17 HA LYS 17 -1.472 -26.380 6.164 137 HB2 LYS 17 2HB LYS 17 -3.365 -26.954 3.958 138 HB3 LYS 17 3HB LYS 17 -2.471 -25.445 3.840 139 HG2 LYS 17 2HG LYS 17 -0.432 -27.038 4.401 140 HG3 LYS 17 3HG LYS 17 -1.506 -28.243 3.687 141 HD2 LYS 17 2HD LYS 17 -0.959 -27.534 1.653 142 HD3 LYS 17 3HD LYS 17 -1.560 -25.921 2.046 143 HE2 LYS 17 2HE LYS 17 1.200 -26.918 2.737 144 HE3 LYS 17 3HE LYS 17 0.820 -25.986 1.289 145 HZ1 LYS 17 1HZ LYS 17 -0.248 -24.440 3.172 146 HZ2 LYS 17 2HZ LYS 17 1.340 -24.268 2.618 147 HZ3 LYS 17 3HZ LYS 17 1.031 -25.116 4.049 148 H CYS 18 H CYS 18 -2.174 -25.077 7.989 149 HA CYS 18 HA CYS 18 -3.918 -22.839 7.197 150 HB2 CYS 18 2HB CYS 18 -4.338 -24.458 9.297 151 HB3 CYS 18 3HB CYS 18 -3.278 -23.280 10.064 152 H GLN 19 H GLN 19 -3.339 -20.715 7.991 153 HA GLN 19 HA GLN 19 -0.472 -20.410 8.578 154 HB2 GLN 19 2HB GLN 19 -1.821 -18.334 6.927 155 HB3 GLN 19 3HB GLN 19 -0.141 -18.855 6.924 156 HG2 GLN 19 2HG GLN 19 -2.430 -20.450 5.799 157 HG3 GLN 19 3HG GLN 19 -1.356 -19.420 4.854 158 HE21 GLN 19 1HE2 GLN 19 -1.861 -22.329 4.770 159 HE22 GLN 19 2HE2 GLN 19 -0.310 -23.069 4.951 160 H ARG 20 H ARG 20 0.042 -18.189 9.427 161 HA ARG 20 HA ARG 20 -2.186 -16.938 10.850 162 HB2 ARG 20 2HB ARG 20 -0.898 -16.921 12.961 163 HB3 ARG 20 3HB ARG 20 -1.320 -18.547 12.441 164 HG2 ARG 20 2HG ARG 20 0.811 -19.089 12.696 165 HG3 ARG 20 3HG ARG 20 1.173 -18.063 11.306 166 HD2 ARG 20 2HD ARG 20 2.590 -17.316 13.034 167 HD3 ARG 20 3HD ARG 20 1.288 -16.131 12.939 168 HE ARG 20 HE ARG 20 0.656 -16.714 15.057 169 HH11 ARG 20 1HH1 ARG 20 2.732 -19.195 13.771 170 HH12 ARG 20 2HH1 ARG 20 2.842 -20.061 15.267 171 HH21 ARG 20 1HH2 ARG 20 0.793 -17.846 17.033 172 HH22 ARG 20 2HH2 ARG 20 1.738 -19.293 17.122 173 H PHE 21 H PHE 21 -2.110 -14.838 10.448 174 HA PHE 21 HA PHE 21 0.326 -13.606 9.493 175 HB2 PHE 21 2HB PHE 21 -2.342 -12.285 10.009 176 HB3 PHE 21 3HB PHE 21 -1.035 -11.688 8.992 177 HD1 PHE 21 HD1 PHE 21 -0.516 -14.593 7.867 178 HD2 PHE 21 HD2 PHE 21 -3.933 -12.074 8.181 179 HE1 PHE 21 HE1 PHE 21 -1.518 -15.716 5.921 180 HE2 PHE 21 HE2 PHE 21 -4.941 -13.193 6.236 181 HZ PHE 21 HZ PHE 21 -3.734 -15.017 5.103 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.881 -1.909 -0.308 2 HA2 GLY 1 2HA GLY 1 1.724 -0.538 -2.566 3 HA3 GLY 1 3HA GLY 1 2.688 0.081 -1.233 4 H SER 2 H SER 2 3.501 -1.846 0.239 5 HA SER 2 HA SER 2 4.543 -3.950 -1.541 6 HB2 SER 2 2HB SER 2 5.995 -1.998 0.111 7 HB3 SER 2 3HB SER 2 6.525 -3.665 0.334 8 HG SER 2 HG SER 2 7.642 -2.607 -1.371 9 H LYS 3 H LYS 3 4.127 -3.026 1.873 10 HA LYS 3 HA LYS 3 3.225 -5.759 2.432 11 HB2 LYS 3 2HB LYS 3 4.563 -5.878 4.459 12 HB3 LYS 3 3HB LYS 3 5.605 -5.629 3.064 13 HG2 LYS 3 2HG LYS 3 5.112 -3.067 3.878 14 HG3 LYS 3 3HG LYS 3 5.167 -3.947 5.407 15 HD2 LYS 3 2HD LYS 3 7.301 -4.962 3.946 16 HD3 LYS 3 3HD LYS 3 7.319 -3.231 3.602 17 HE2 LYS 3 2HE LYS 3 7.494 -2.685 5.898 18 HE3 LYS 3 3HE LYS 3 7.108 -4.332 6.393 19 HZ1 LYS 3 1HZ LYS 3 9.470 -3.865 6.605 20 HZ2 LYS 3 2HZ LYS 3 9.570 -3.499 4.957 21 HZ3 LYS 3 3HZ LYS 3 9.201 -5.074 5.452 22 H LYS 4 H LYS 4 1.767 -5.952 4.149 23 HA LYS 4 HA LYS 4 0.967 -3.554 5.587 24 HB2 LYS 4 2HB LYS 4 -1.388 -3.764 4.947 25 HB3 LYS 4 3HB LYS 4 -0.375 -3.449 3.544 26 HG2 LYS 4 2HG LYS 4 -0.387 -6.004 3.231 27 HG3 LYS 4 3HG LYS 4 -1.768 -5.977 4.331 28 HD2 LYS 4 2HD LYS 4 -3.033 -4.623 2.854 29 HD3 LYS 4 3HD LYS 4 -1.620 -4.264 1.860 30 HE2 LYS 4 2HE LYS 4 -1.586 -6.892 1.590 31 HE3 LYS 4 3HE LYS 4 -3.298 -6.719 1.974 32 HZ1 LYS 4 1HZ LYS 4 -3.251 -6.554 -0.314 33 HZ2 LYS 4 2HZ LYS 4 -1.809 -5.670 -0.343 34 HZ3 LYS 4 3HZ LYS 4 -3.247 -4.927 0.151 35 HA PRO 5 HA PRO 5 0.524 -6.626 8.738 36 HB2 PRO 5 2HB PRO 5 -0.661 -5.046 10.601 37 HB3 PRO 5 3HB PRO 5 1.062 -4.952 10.218 38 HG2 PRO 5 2HG PRO 5 -1.186 -3.215 9.274 39 HG3 PRO 5 3HG PRO 5 0.436 -2.749 9.816 40 HD2 PRO 5 2HD PRO 5 -0.236 -2.904 7.198 41 HD3 PRO 5 3HD PRO 5 1.400 -3.264 7.786 42 H VAL 6 H VAL 6 -0.979 -8.144 9.054 43 HA VAL 6 HA VAL 6 -3.818 -7.396 8.802 44 HB VAL 6 HB VAL 6 -2.700 -10.032 7.856 45 HG11 VAL 6 1HG1 VAL 6 -5.348 -8.644 7.462 46 HG12 VAL 6 2HG1 VAL 6 -4.866 -10.134 6.648 47 HG13 VAL 6 3HG1 VAL 6 -5.042 -10.104 8.403 48 HG21 VAL 6 1HG2 VAL 6 -2.889 -9.173 5.575 49 HG22 VAL 6 2HG2 VAL 6 -3.332 -7.586 6.204 50 HG23 VAL 6 3HG2 VAL 6 -1.723 -8.240 6.513 51 HA PRO 7 HA PRO 7 -3.889 -9.252 12.856 52 HB2 PRO 7 2HB PRO 7 -6.539 -8.850 13.290 53 HB3 PRO 7 3HB PRO 7 -5.335 -7.563 13.435 54 HG2 PRO 7 2HG PRO 7 -7.179 -8.184 11.160 55 HG3 PRO 7 3HG PRO 7 -6.758 -6.611 11.862 56 HD2 PRO 7 2HD PRO 7 -5.639 -7.530 9.574 57 HD3 PRO 7 3HD PRO 7 -4.762 -6.491 10.716 58 H ILE 8 H ILE 8 -5.915 -10.116 10.137 59 HA ILE 8 HA ILE 8 -6.991 -12.483 11.358 60 HB ILE 8 HB ILE 8 -8.205 -12.802 9.440 61 HG12 ILE 8 2HG1 ILE 8 -5.711 -11.956 8.096 62 HG13 ILE 8 3HG1 ILE 8 -6.830 -13.251 7.684 63 HG21 ILE 8 1HG2 ILE 8 -7.511 -9.907 9.021 64 HG22 ILE 8 2HG2 ILE 8 -9.046 -10.717 8.711 65 HG23 ILE 8 3HG2 ILE 8 -8.498 -10.471 10.369 66 HD11 ILE 8 1HD1 ILE 8 -7.131 -10.324 7.073 67 HD12 ILE 8 2HD1 ILE 8 -6.855 -11.640 5.931 68 HD13 ILE 8 3HD1 ILE 8 -8.387 -11.530 6.798 69 H ILE 9 H ILE 9 -6.766 -14.557 9.827 70 HA ILE 9 HA ILE 9 -3.917 -14.967 9.231 71 HB ILE 9 HB ILE 9 -3.982 -17.184 10.260 72 HG12 ILE 9 2HG1 ILE 9 -5.925 -17.670 11.826 73 HG13 ILE 9 3HG1 ILE 9 -6.788 -16.364 11.021 74 HG21 ILE 9 1HG2 ILE 9 -3.133 -15.393 11.607 75 HG22 ILE 9 2HG2 ILE 9 -4.762 -14.913 12.079 76 HG23 ILE 9 3HG2 ILE 9 -4.099 -16.449 12.636 77 HD11 ILE 9 1HD1 ILE 9 -7.064 -18.875 10.287 78 HD12 ILE 9 2HD1 ILE 9 -7.089 -17.561 9.111 79 HD13 ILE 9 3HD1 ILE 9 -5.622 -18.511 9.340 80 H TYR 10 H TYR 10 -3.685 -17.266 8.174 81 HA TYR 10 HA TYR 10 -5.794 -17.484 6.128 82 HB2 TYR 10 2HB TYR 10 -3.332 -16.745 5.552 83 HB3 TYR 10 3HB TYR 10 -3.012 -18.473 5.648 84 HD1 TYR 10 HD1 TYR 10 -4.768 -15.837 3.797 85 HD2 TYR 10 HD2 TYR 10 -3.891 -19.996 3.986 86 HE1 TYR 10 HE1 TYR 10 -5.581 -16.107 1.491 87 HE2 TYR 10 HE2 TYR 10 -4.700 -20.277 1.681 88 HH TYR 10 HH TYR 10 -5.227 -17.709 -0.409 89 H CYS 11 H CYS 11 -6.469 -19.522 5.466 90 HA CYS 11 HA CYS 11 -5.391 -21.850 6.869 91 HB2 CYS 11 2HB CYS 11 -7.869 -20.587 7.542 92 HB3 CYS 11 3HB CYS 11 -8.213 -22.162 6.836 93 H ASN 12 H ASN 12 -4.686 -22.930 5.116 94 HA ASN 12 HA ASN 12 -6.231 -23.026 2.678 95 HB2 ASN 12 2HB ASN 12 -3.555 -23.198 3.205 96 HB3 ASN 12 3HB ASN 12 -3.970 -24.892 2.960 97 HD21 ASN 12 1HD2 ASN 12 -3.860 -25.588 0.959 98 HD22 ASN 12 2HD2 ASN 12 -3.992 -24.622 -0.467 99 H ARG 13 H ARG 13 -8.081 -24.175 2.916 100 HA ARG 13 HA ARG 13 -8.569 -26.367 4.501 101 HB2 ARG 13 2HB ARG 13 -9.719 -25.659 1.801 102 HB3 ARG 13 3HB ARG 13 -10.347 -26.956 2.808 103 HG2 ARG 13 2HG ARG 13 -10.124 -24.129 3.790 104 HG3 ARG 13 3HG ARG 13 -11.542 -24.728 2.926 105 HD2 ARG 13 2HD ARG 13 -12.025 -26.304 4.617 106 HD3 ARG 13 3HD ARG 13 -10.445 -26.090 5.370 107 HE ARG 13 HE ARG 13 -12.057 -23.706 5.323 108 HH11 ARG 13 1HH1 ARG 13 -11.279 -26.617 7.066 109 HH12 ARG 13 2HH1 ARG 13 -11.805 -25.998 8.596 110 HH21 ARG 13 1HH2 ARG 13 -12.752 -22.878 7.331 111 HH22 ARG 13 2HH2 ARG 13 -12.644 -23.871 8.745 112 H ARG 14 H ARG 14 -6.438 -27.453 4.314 113 HA ARG 14 HA ARG 14 -6.626 -29.623 2.377 114 HB2 ARG 14 2HB ARG 14 -4.098 -28.003 2.735 115 HB3 ARG 14 3HB ARG 14 -4.283 -29.426 1.719 116 HG2 ARG 14 2HG ARG 14 -5.736 -26.817 1.337 117 HG3 ARG 14 3HG ARG 14 -4.317 -27.344 0.430 118 HD2 ARG 14 2HD ARG 14 -6.714 -29.114 0.536 119 HD3 ARG 14 3HD ARG 14 -6.739 -27.703 -0.520 120 HE ARG 14 HE ARG 14 -4.362 -29.165 -0.930 121 HH11 ARG 14 1HH1 ARG 14 -7.787 -29.322 -1.534 122 HH12 ARG 14 2HH1 ARG 14 -7.624 -30.300 -2.955 123 HH21 ARG 14 1HH2 ARG 14 -4.134 -30.451 -2.799 124 HH22 ARG 14 2HH2 ARG 14 -5.546 -30.942 -3.673 125 H THR 15 H THR 15 -3.995 -30.622 2.982 126 HA THR 15 HA THR 15 -4.601 -32.054 5.370 127 HB THR 15 HB THR 15 -3.377 -33.219 3.683 128 HG1 THR 15 HG1 THR 15 -1.410 -32.675 5.651 129 HG21 THR 15 1HG2 THR 15 -1.991 -30.743 3.405 130 HG22 THR 15 2HG2 THR 15 -1.922 -32.168 2.367 131 HG23 THR 15 3HG2 THR 15 -0.812 -32.014 3.729 132 H GLY 16 H GLY 16 -4.802 -29.900 6.590 133 HA2 GLY 16 2HA GLY 16 -4.031 -28.643 8.352 134 HA3 GLY 16 3HA GLY 16 -2.646 -29.723 8.414 135 H LYS 17 H LYS 17 -3.858 -27.315 6.079 136 HA LYS 17 HA LYS 17 -1.157 -26.137 6.066 137 HB2 LYS 17 2HB LYS 17 -3.080 -26.751 3.896 138 HB3 LYS 17 3HB LYS 17 -2.207 -25.231 3.753 139 HG2 LYS 17 2HG LYS 17 -0.141 -26.803 4.294 140 HG3 LYS 17 3HG LYS 17 -1.213 -28.017 3.593 141 HD2 LYS 17 2HD LYS 17 0.037 -27.197 1.782 142 HD3 LYS 17 3HD LYS 17 -1.524 -26.382 1.659 143 HE2 LYS 17 2HE LYS 17 0.093 -24.776 3.311 144 HE3 LYS 17 3HE LYS 17 1.098 -25.255 1.944 145 HZ1 LYS 17 1HZ LYS 17 -0.978 -23.349 2.025 146 HZ2 LYS 17 2HZ LYS 17 -1.385 -24.560 0.917 147 HZ3 LYS 17 3HZ LYS 17 0.072 -23.717 0.751 148 H CYS 18 H CYS 18 -1.845 -24.831 7.894 149 HA CYS 18 HA CYS 18 -3.634 -22.623 7.117 150 HB2 CYS 18 2HB CYS 18 -4.000 -24.232 9.233 151 HB3 CYS 18 3HB CYS 18 -2.938 -23.040 9.975 152 H GLN 19 H GLN 19 -3.072 -20.486 7.889 153 HA GLN 19 HA GLN 19 -0.200 -20.138 8.424 154 HB2 GLN 19 2HB GLN 19 -1.605 -18.091 6.784 155 HB3 GLN 19 3HB GLN 19 0.081 -18.588 6.755 156 HG2 GLN 19 2HG GLN 19 -2.207 -20.220 5.678 157 HG3 GLN 19 3HG GLN 19 -1.160 -19.184 4.709 158 HE21 GLN 19 1HE2 GLN 19 -1.515 -21.955 4.325 159 HE22 GLN 19 2HE2 GLN 19 0.001 -22.731 4.612 160 H ARG 20 H ARG 20 0.298 -17.904 9.251 161 HA ARG 20 HA ARG 20 -1.923 -16.676 10.704 162 HB2 ARG 20 2HB ARG 20 0.565 -17.826 11.953 163 HB3 ARG 20 3HB ARG 20 -0.372 -16.565 12.743 164 HG2 ARG 20 2HG ARG 20 -2.344 -18.026 12.707 165 HG3 ARG 20 3HG ARG 20 -1.372 -19.294 11.958 166 HD2 ARG 20 2HD ARG 20 0.117 -19.271 13.923 167 HD3 ARG 20 3HD ARG 20 -0.921 -18.058 14.672 168 HE ARG 20 HE ARG 20 -2.408 -19.712 15.212 169 HH11 ARG 20 1HH1 ARG 20 -0.171 -20.917 12.832 170 HH12 ARG 20 2HH1 ARG 20 -0.726 -22.554 12.949 171 HH21 ARG 20 1HH2 ARG 20 -3.148 -21.864 15.375 172 HH22 ARG 20 2HH2 ARG 20 -2.420 -23.091 14.395 173 H PHE 21 H PHE 21 -1.883 -14.577 10.288 174 HA PHE 21 HA PHE 21 0.520 -13.318 9.284 175 HB2 PHE 21 2HB PHE 21 -2.158 -12.031 9.837 176 HB3 PHE 21 3HB PHE 21 -0.876 -11.422 8.795 177 HD1 PHE 21 HD1 PHE 21 -0.336 -14.327 7.680 178 HD2 PHE 21 HD2 PHE 21 -3.780 -11.851 8.033 179 HE1 PHE 21 HE1 PHE 21 -1.355 -15.475 5.757 180 HE2 PHE 21 HE2 PHE 21 -4.804 -12.995 6.112 181 HZ PHE 21 HZ PHE 21 -3.592 -14.811 4.971 Start of MODEL 6 1 H1 GLY 1 H GLY 1 0.472 -0.453 -0.893 2 HA2 GLY 1 2HA GLY 1 3.020 0.663 -0.989 3 HA3 GLY 1 3HA GLY 1 2.771 0.112 0.661 4 H SER 2 H SER 2 4.245 -1.538 0.648 5 HA SER 2 HA SER 2 3.851 -3.667 -1.343 6 HB2 SER 2 2HB SER 2 6.213 -2.573 0.030 7 HB3 SER 2 3HB SER 2 6.161 -4.334 -0.031 8 HG SER 2 HG SER 2 5.656 -3.955 -2.368 9 H LYS 3 H LYS 3 4.450 -3.162 2.125 10 HA LYS 3 HA LYS 3 3.210 -5.786 2.636 11 HB2 LYS 3 2HB LYS 3 5.271 -4.256 4.227 12 HB3 LYS 3 3HB LYS 3 4.440 -5.682 4.834 13 HG2 LYS 3 2HG LYS 3 5.528 -7.101 3.380 14 HG3 LYS 3 3HG LYS 3 5.896 -5.812 2.232 15 HD2 LYS 3 2HD LYS 3 7.256 -4.922 4.374 16 HD3 LYS 3 3HD LYS 3 7.338 -6.660 4.668 17 HE2 LYS 3 2HE LYS 3 8.093 -6.848 2.230 18 HE3 LYS 3 3HE LYS 3 8.350 -5.105 2.305 19 HZ1 LYS 3 1HZ LYS 3 9.529 -6.802 4.389 20 HZ2 LYS 3 2HZ LYS 3 10.076 -5.328 3.766 21 HZ3 LYS 3 3HZ LYS 3 10.270 -6.749 2.868 22 H LYS 4 H LYS 4 1.695 -5.975 4.301 23 HA LYS 4 HA LYS 4 0.839 -3.572 5.701 24 HB2 LYS 4 2HB LYS 4 -0.999 -5.120 3.865 25 HB3 LYS 4 3HB LYS 4 -1.522 -3.879 4.997 26 HG2 LYS 4 2HG LYS 4 0.173 -2.376 3.728 27 HG3 LYS 4 3HG LYS 4 0.026 -3.596 2.461 28 HD2 LYS 4 2HD LYS 4 -2.265 -2.072 3.704 29 HD3 LYS 4 3HD LYS 4 -1.538 -1.728 2.133 30 HE2 LYS 4 2HE LYS 4 -2.138 -4.052 1.437 31 HE3 LYS 4 3HE LYS 4 -3.013 -4.225 2.958 32 HZ1 LYS 4 1HZ LYS 4 -4.079 -3.310 0.662 33 HZ2 LYS 4 2HZ LYS 4 -3.710 -1.864 1.457 34 HZ3 LYS 4 3HZ LYS 4 -4.710 -3.007 2.202 35 HA PRO 5 HA PRO 5 0.302 -6.631 8.850 36 HB2 PRO 5 2HB PRO 5 -0.950 -5.048 10.665 37 HB3 PRO 5 3HB PRO 5 0.784 -4.949 10.338 38 HG2 PRO 5 2HG PRO 5 -1.437 -3.225 9.312 39 HG3 PRO 5 3HG PRO 5 0.165 -2.750 9.905 40 HD2 PRO 5 2HD PRO 5 -0.420 -2.920 7.267 41 HD3 PRO 5 3HD PRO 5 1.197 -3.271 7.912 42 H VAL 6 H VAL 6 -1.205 -8.154 9.121 43 HA VAL 6 HA VAL 6 -4.036 -7.418 8.769 44 HB VAL 6 HB VAL 6 -2.878 -10.055 7.879 45 HG11 VAL 6 1HG1 VAL 6 -4.999 -10.179 6.601 46 HG12 VAL 6 2HG1 VAL 6 -5.241 -10.125 8.349 47 HG13 VAL 6 3HG1 VAL 6 -5.514 -8.680 7.374 48 HG21 VAL 6 1HG2 VAL 6 -3.001 -9.207 5.585 49 HG22 VAL 6 2HG2 VAL 6 -3.453 -7.616 6.197 50 HG23 VAL 6 3HG2 VAL 6 -1.858 -8.279 6.555 51 HA PRO 7 HA PRO 7 -4.238 -9.250 12.831 52 HB2 PRO 7 2HB PRO 7 -6.902 -8.851 13.173 53 HB3 PRO 7 3HB PRO 7 -5.706 -7.561 13.351 54 HG2 PRO 7 2HG PRO 7 -7.471 -8.199 11.019 55 HG3 PRO 7 3HG PRO 7 -7.079 -6.621 11.726 56 HD2 PRO 7 2HD PRO 7 -5.881 -7.551 9.482 57 HD3 PRO 7 3HD PRO 7 -5.046 -6.503 10.646 58 H ILE 8 H ILE 8 -6.173 -10.133 10.052 59 HA ILE 8 HA ILE 8 -7.285 -12.495 11.249 60 HB ILE 8 HB ILE 8 -8.429 -12.831 9.291 61 HG12 ILE 8 2HG1 ILE 8 -5.892 -11.983 8.030 62 HG13 ILE 8 3HG1 ILE 8 -6.991 -13.285 7.588 63 HG21 ILE 8 1HG2 ILE 8 -7.729 -9.935 8.882 64 HG22 ILE 8 2HG2 ILE 8 -9.248 -10.751 8.519 65 HG23 ILE 8 3HG2 ILE 8 -8.763 -10.496 10.195 66 HD11 ILE 8 1HD1 ILE 8 -6.958 -11.683 5.825 67 HD12 ILE 8 2HD1 ILE 8 -8.521 -11.575 6.636 68 HD13 ILE 8 3HD1 ILE 8 -7.280 -10.363 6.949 69 H ILE 9 H ILE 9 -7.003 -14.578 9.740 70 HA ILE 9 HA ILE 9 -4.134 -14.987 9.247 71 HB ILE 9 HB ILE 9 -4.231 -17.197 10.288 72 HG12 ILE 9 2HG1 ILE 9 -6.226 -17.678 11.787 73 HG13 ILE 9 3HG1 ILE 9 -7.063 -16.379 10.944 74 HG21 ILE 9 1HG2 ILE 9 -5.079 -14.915 12.064 75 HG22 ILE 9 2HG2 ILE 9 -4.437 -16.447 12.654 76 HG23 ILE 9 3HG2 ILE 9 -3.433 -15.398 11.654 77 HD11 ILE 9 1HD1 ILE 9 -7.297 -17.587 9.033 78 HD12 ILE 9 2HD1 ILE 9 -5.836 -18.534 9.319 79 HD13 ILE 9 3HD1 ILE 9 -7.310 -18.894 10.217 80 H TYR 10 H TYR 10 -3.860 -17.293 8.214 81 HA TYR 10 HA TYR 10 -5.896 -17.526 6.096 82 HB2 TYR 10 2HB TYR 10 -3.414 -16.791 5.605 83 HB3 TYR 10 3HB TYR 10 -3.098 -18.519 5.721 84 HD1 TYR 10 HD1 TYR 10 -4.798 -15.893 3.800 85 HD2 TYR 10 HD2 TYR 10 -3.906 -20.046 4.033 86 HE1 TYR 10 HE1 TYR 10 -5.529 -16.174 1.468 87 HE2 TYR 10 HE2 TYR 10 -4.633 -20.339 1.701 88 HH TYR 10 HH TYR 10 -4.797 -18.257 -0.450 89 H CYS 11 H CYS 11 -6.542 -19.571 5.422 90 HA CYS 11 HA CYS 11 -5.514 -21.888 6.878 91 HB2 CYS 11 2HB CYS 11 -8.017 -20.623 7.453 92 HB3 CYS 11 3HB CYS 11 -8.332 -22.206 6.750 93 H ASN 12 H ASN 12 -4.748 -22.978 5.157 94 HA ASN 12 HA ASN 12 -6.208 -23.092 2.669 95 HB2 ASN 12 2HB ASN 12 -3.553 -23.250 3.281 96 HB3 ASN 12 3HB ASN 12 -3.952 -24.949 3.046 97 HD21 ASN 12 1HD2 ASN 12 -3.778 -25.673 1.059 98 HD22 ASN 12 2HD2 ASN 12 -3.865 -24.725 -0.383 99 H ARG 13 H ARG 13 -8.062 -24.244 2.849 100 HA ARG 13 HA ARG 13 -8.602 -26.426 4.431 101 HB2 ARG 13 2HB ARG 13 -9.657 -25.817 1.664 102 HB3 ARG 13 3HB ARG 13 -10.352 -27.010 2.753 103 HG2 ARG 13 2HG ARG 13 -10.093 -24.084 3.404 104 HG3 ARG 13 3HG ARG 13 -11.540 -24.829 2.720 105 HD2 ARG 13 2HD ARG 13 -12.192 -25.540 4.723 106 HD3 ARG 13 3HD ARG 13 -10.635 -26.317 5.006 107 HE ARG 13 HE ARG 13 -10.371 -23.549 5.409 108 HH11 ARG 13 1HH1 ARG 13 -11.856 -26.346 6.855 109 HH12 ARG 13 2HH1 ARG 13 -11.790 -25.710 8.465 110 HH21 ARG 13 1HH2 ARG 13 -10.279 -22.701 7.524 111 HH22 ARG 13 2HH2 ARG 13 -10.894 -23.637 8.845 112 H ARG 14 H ARG 14 -6.459 -27.503 4.322 113 HA ARG 14 HA ARG 14 -6.575 -29.687 2.393 114 HB2 ARG 14 2HB ARG 14 -4.068 -28.056 2.836 115 HB3 ARG 14 3HB ARG 14 -4.205 -29.491 1.829 116 HG2 ARG 14 2HG ARG 14 -5.628 -26.878 1.364 117 HG3 ARG 14 3HG ARG 14 -4.200 -27.449 0.498 118 HD2 ARG 14 2HD ARG 14 -6.327 -29.416 0.493 119 HD3 ARG 14 3HD ARG 14 -6.855 -27.881 -0.194 120 HE ARG 14 HE ARG 14 -4.364 -28.546 -1.292 121 HH11 ARG 14 1HH1 ARG 14 -7.671 -29.634 -1.330 122 HH12 ARG 14 2HH1 ARG 14 -7.570 -30.300 -2.927 123 HH21 ARG 14 1HH2 ARG 14 -4.219 -29.419 -3.394 124 HH22 ARG 14 2HH2 ARG 14 -5.606 -30.177 -4.100 125 H THR 15 H THR 15 -3.970 -30.682 3.101 126 HA THR 15 HA THR 15 -4.664 -32.099 5.474 127 HB THR 15 HB THR 15 -3.382 -33.276 3.839 128 HG1 THR 15 HG1 THR 15 -2.278 -34.215 5.375 129 HG21 THR 15 1HG2 THR 15 -1.879 -32.234 2.569 130 HG22 THR 15 2HG2 THR 15 -0.817 -32.075 3.968 131 HG23 THR 15 3HG2 THR 15 -1.982 -30.805 3.597 132 H GLY 16 H GLY 16 -4.904 -29.934 6.671 133 HA2 GLY 16 2HA GLY 16 -4.193 -28.671 8.454 134 HA3 GLY 16 3HA GLY 16 -2.810 -29.749 8.568 135 H LYS 17 H LYS 17 -3.946 -27.356 6.180 136 HA LYS 17 HA LYS 17 -1.248 -26.172 6.253 137 HB2 LYS 17 2HB LYS 17 -3.095 -26.800 4.021 138 HB3 LYS 17 3HB LYS 17 -2.214 -25.283 3.900 139 HG2 LYS 17 2HG LYS 17 -0.169 -26.848 4.518 140 HG3 LYS 17 3HG LYS 17 -1.218 -28.073 3.801 141 HD2 LYS 17 2HD LYS 17 -0.523 -27.406 1.796 142 HD3 LYS 17 3HD LYS 17 -1.333 -25.863 2.079 143 HE2 LYS 17 2HE LYS 17 0.731 -25.055 3.203 144 HE3 LYS 17 3HE LYS 17 1.523 -26.564 2.750 145 HZ1 LYS 17 1HZ LYS 17 2.136 -25.131 1.070 146 HZ2 LYS 17 2HZ LYS 17 0.637 -24.349 1.022 147 HZ3 LYS 17 3HZ LYS 17 0.799 -25.907 0.384 148 H CYS 18 H CYS 18 -2.000 -24.856 8.046 149 HA CYS 18 HA CYS 18 -3.766 -22.656 7.194 150 HB2 CYS 18 2HB CYS 18 -4.199 -24.254 9.307 151 HB3 CYS 18 3HB CYS 18 -3.171 -23.050 10.078 152 H GLN 19 H GLN 19 -3.234 -20.513 7.971 153 HA GLN 19 HA GLN 19 -0.383 -20.156 8.606 154 HB2 GLN 19 2HB GLN 19 -1.733 -18.123 6.903 155 HB3 GLN 19 3HB GLN 19 -0.045 -18.618 6.937 156 HG2 GLN 19 2HG GLN 19 -2.290 -20.262 5.792 157 HG3 GLN 19 3HG GLN 19 -1.215 -19.228 4.853 158 HE21 GLN 19 1HE2 GLN 19 1.214 -19.694 5.767 159 HE22 GLN 19 2HE2 GLN 19 1.653 -21.358 5.609 160 H ARG 20 H ARG 20 0.081 -17.917 9.435 161 HA ARG 20 HA ARG 20 -2.192 -16.683 10.800 162 HB2 ARG 20 2HB ARG 20 0.330 -17.555 12.222 163 HB3 ARG 20 3HB ARG 20 -0.987 -16.637 12.939 164 HG2 ARG 20 2HG ARG 20 -1.681 -18.650 13.635 165 HG3 ARG 20 3HG ARG 20 -2.334 -18.781 12.001 166 HD2 ARG 20 2HD ARG 20 -1.095 -20.612 11.750 167 HD3 ARG 20 3HD ARG 20 0.325 -19.567 11.769 168 HE ARG 20 HE ARG 20 0.826 -20.353 13.856 169 HH11 ARG 20 1HH1 ARG 20 -2.490 -21.119 13.123 170 HH12 ARG 20 2HH1 ARG 20 -2.712 -22.099 14.534 171 HH21 ARG 20 1HH2 ARG 20 0.546 -21.642 15.717 172 HH22 ARG 20 2HH2 ARG 20 -0.985 -22.396 16.009 173 H PHE 21 H PHE 21 -2.140 -14.587 10.373 174 HA PHE 21 HA PHE 21 0.295 -13.330 9.446 175 HB2 PHE 21 2HB PHE 21 -2.402 -12.043 9.896 176 HB3 PHE 21 3HB PHE 21 -1.085 -11.439 8.896 177 HD1 PHE 21 HD1 PHE 21 -0.502 -14.350 7.818 178 HD2 PHE 21 HD2 PHE 21 -3.961 -11.879 8.036 179 HE1 PHE 21 HE1 PHE 21 -1.451 -15.512 5.868 180 HE2 PHE 21 HE2 PHE 21 -4.916 -13.038 6.087 181 HZ PHE 21 HZ PHE 21 -3.661 -14.858 5.001 Start of MODEL 7 1 H1 GLY 1 H GLY 1 1.933 0.374 0.216 2 HA2 GLY 1 2HA GLY 1 0.800 -1.063 -1.833 3 HA3 GLY 1 3HA GLY 1 2.312 -0.179 -1.985 4 H SER 2 H SER 2 3.510 -1.968 0.127 5 HA SER 2 HA SER 2 3.985 -4.288 -1.628 6 HB2 SER 2 2HB SER 2 5.938 -2.773 -1.368 7 HB3 SER 2 3HB SER 2 5.898 -3.059 0.372 8 HG SER 2 HG SER 2 6.302 -5.256 -0.044 9 H LYS 3 H LYS 3 4.415 -3.420 1.807 10 HA LYS 3 HA LYS 3 3.307 -6.060 2.508 11 HB2 LYS 3 2HB LYS 3 4.654 -5.927 4.573 12 HB3 LYS 3 3HB LYS 3 5.649 -5.904 3.124 13 HG2 LYS 3 2HG LYS 3 5.143 -3.226 3.674 14 HG3 LYS 3 3HG LYS 3 5.443 -3.967 5.248 15 HD2 LYS 3 2HD LYS 3 7.529 -4.944 4.347 16 HD3 LYS 3 3HD LYS 3 7.237 -4.101 2.824 17 HE2 LYS 3 2HE LYS 3 7.946 -2.138 3.644 18 HE3 LYS 3 3HE LYS 3 7.109 -2.371 5.178 19 HZ1 LYS 3 1HZ LYS 3 9.836 -3.102 4.418 20 HZ2 LYS 3 2HZ LYS 3 9.030 -4.117 5.505 21 HZ3 LYS 3 3HZ LYS 3 9.251 -2.482 5.880 22 H LYS 4 H LYS 4 1.790 -6.199 4.135 23 HA LYS 4 HA LYS 4 0.980 -3.789 5.548 24 HB2 LYS 4 2HB LYS 4 -0.869 -5.303 3.699 25 HB3 LYS 4 3HB LYS 4 -1.410 -4.123 4.884 26 HG2 LYS 4 2HG LYS 4 0.047 -2.439 3.734 27 HG3 LYS 4 3HG LYS 4 0.311 -3.639 2.467 28 HD2 LYS 4 2HD LYS 4 -2.004 -3.669 1.905 29 HD3 LYS 4 3HD LYS 4 -2.424 -2.713 3.328 30 HE2 LYS 4 2HE LYS 4 -0.482 -1.277 1.829 31 HE3 LYS 4 3HE LYS 4 -1.744 -1.813 0.722 32 HZ1 LYS 4 1HZ LYS 4 -3.375 -0.862 2.328 33 HZ2 LYS 4 2HZ LYS 4 -2.385 0.285 1.577 34 HZ3 LYS 4 3HZ LYS 4 -2.078 -0.180 3.174 35 HA PRO 5 HA PRO 5 0.459 -6.844 8.704 36 HB2 PRO 5 2HB PRO 5 -0.749 -5.248 10.538 37 HB3 PRO 5 3HB PRO 5 0.981 -5.168 10.185 38 HG2 PRO 5 2HG PRO 5 -1.237 -3.420 9.193 39 HG3 PRO 5 3HG PRO 5 0.379 -2.962 9.763 40 HD2 PRO 5 2HD PRO 5 -0.248 -3.125 7.133 41 HD3 PRO 5 3HD PRO 5 1.375 -3.493 7.753 42 H VAL 6 H VAL 6 -1.060 -8.351 8.996 43 HA VAL 6 HA VAL 6 -3.888 -7.585 8.687 44 HB VAL 6 HB VAL 6 -2.772 -10.235 7.781 45 HG11 VAL 6 1HG1 VAL 6 -5.400 -8.830 7.324 46 HG12 VAL 6 2HG1 VAL 6 -4.914 -10.329 6.530 47 HG13 VAL 6 3HG1 VAL 6 -5.125 -10.285 8.281 48 HG21 VAL 6 1HG2 VAL 6 -1.753 -8.466 6.446 49 HG22 VAL 6 2HG2 VAL 6 -2.912 -9.389 5.489 50 HG23 VAL 6 3HG2 VAL 6 -3.347 -7.794 6.103 51 HA PRO 7 HA PRO 7 -4.050 -9.414 12.751 52 HB2 PRO 7 2HB PRO 7 -6.705 -8.989 13.132 53 HB3 PRO 7 3HB PRO 7 -5.495 -7.711 13.292 54 HG2 PRO 7 2HG PRO 7 -7.299 -8.333 10.985 55 HG3 PRO 7 3HG PRO 7 -6.881 -6.758 11.686 56 HD2 PRO 7 2HD PRO 7 -5.725 -7.701 9.426 57 HD3 PRO 7 3HD PRO 7 -4.862 -6.660 10.577 58 H ILE 8 H ILE 8 -6.029 -10.281 10.000 59 HA ILE 8 HA ILE 8 -7.146 -12.632 11.215 60 HB ILE 8 HB ILE 8 -8.326 -12.956 9.276 61 HG12 ILE 8 2HG1 ILE 8 -5.800 -12.136 7.975 62 HG13 ILE 8 3HG1 ILE 8 -6.920 -13.426 7.551 63 HG21 ILE 8 1HG2 ILE 8 -8.616 -10.615 10.186 64 HG22 ILE 8 2HG2 ILE 8 -7.603 -10.069 8.850 65 HG23 ILE 8 3HG2 ILE 8 -9.140 -10.869 8.522 66 HD11 ILE 8 1HD1 ILE 8 -6.899 -11.825 5.787 67 HD12 ILE 8 2HD1 ILE 8 -8.447 -11.700 6.622 68 HD13 ILE 8 3HD1 ILE 8 -7.188 -10.501 6.914 69 H ILE 9 H ILE 9 -6.907 -14.718 9.702 70 HA ILE 9 HA ILE 9 -4.050 -15.152 9.163 71 HB ILE 9 HB ILE 9 -4.150 -17.361 10.205 72 HG12 ILE 9 2HG1 ILE 9 -6.125 -17.825 11.736 73 HG13 ILE 9 3HG1 ILE 9 -6.963 -16.517 10.907 74 HG21 ILE 9 1HG2 ILE 9 -4.303 -16.613 12.572 75 HG22 ILE 9 2HG2 ILE 9 -3.316 -15.565 11.555 76 HG23 ILE 9 3HG2 ILE 9 -4.951 -15.077 11.998 77 HD11 ILE 9 1HD1 ILE 9 -7.239 -17.722 8.999 78 HD12 ILE 9 2HD1 ILE 9 -5.783 -18.684 9.261 79 HD13 ILE 9 3HD1 ILE 9 -7.246 -19.029 10.183 80 H TYR 10 H TYR 10 -3.814 -17.459 8.125 81 HA TYR 10 HA TYR 10 -5.885 -17.674 6.040 82 HB2 TYR 10 2HB TYR 10 -3.405 -16.960 5.509 83 HB3 TYR 10 3HB TYR 10 -3.102 -18.691 5.620 84 HD1 TYR 10 HD1 TYR 10 -4.806 -16.051 3.724 85 HD2 TYR 10 HD2 TYR 10 -3.955 -20.213 3.948 86 HE1 TYR 10 HE1 TYR 10 -5.576 -16.327 1.404 87 HE2 TYR 10 HE2 TYR 10 -4.721 -20.501 1.629 88 HH TYR 10 HH TYR 10 -5.419 -17.798 -0.425 89 H CYS 11 H CYS 11 -6.561 -19.712 5.377 90 HA CYS 11 HA CYS 11 -5.530 -22.039 6.816 91 HB2 CYS 11 2HB CYS 11 -8.010 -20.752 7.434 92 HB3 CYS 11 3HB CYS 11 -8.355 -22.328 6.730 93 H ASN 12 H ASN 12 -4.801 -23.135 5.083 94 HA ASN 12 HA ASN 12 -6.302 -23.236 2.618 95 HB2 ASN 12 2HB ASN 12 -3.638 -23.420 3.190 96 HB3 ASN 12 3HB ASN 12 -4.057 -25.115 2.957 97 HD21 ASN 12 1HD2 ASN 12 -3.915 -25.834 0.968 98 HD22 ASN 12 2HD2 ASN 12 -4.017 -24.884 -0.472 99 H ARG 13 H ARG 13 -8.163 -24.370 2.828 100 HA ARG 13 HA ARG 13 -8.698 -26.548 4.418 101 HB2 ARG 13 2HB ARG 13 -9.793 -25.983 1.656 102 HB3 ARG 13 3HB ARG 13 -10.501 -27.099 2.816 103 HG2 ARG 13 2HG ARG 13 -10.072 -24.232 3.545 104 HG3 ARG 13 3HG ARG 13 -11.474 -24.720 2.590 105 HD2 ARG 13 2HD ARG 13 -12.394 -25.937 4.313 106 HD3 ARG 13 3HD ARG 13 -10.836 -26.206 5.093 107 HE ARG 13 HE ARG 13 -11.597 -23.454 5.114 108 HH11 ARG 13 1HH1 ARG 13 -12.073 -26.516 6.700 109 HH12 ARG 13 2HH1 ARG 13 -12.512 -25.809 8.220 110 HH21 ARG 13 1HH2 ARG 13 -12.173 -22.511 7.109 111 HH22 ARG 13 2HH2 ARG 13 -12.569 -23.530 8.451 112 H ARG 14 H ARG 14 -6.567 -27.645 4.274 113 HA ARG 14 HA ARG 14 -6.734 -29.827 2.347 114 HB2 ARG 14 2HB ARG 14 -4.203 -28.223 2.750 115 HB3 ARG 14 3HB ARG 14 -4.374 -29.652 1.740 116 HG2 ARG 14 2HG ARG 14 -5.776 -27.022 1.310 117 HG3 ARG 14 3HG ARG 14 -4.369 -27.605 0.418 118 HD2 ARG 14 2HD ARG 14 -6.521 -29.546 0.443 119 HD3 ARG 14 3HD ARG 14 -7.036 -28.003 -0.237 120 HE ARG 14 HE ARG 14 -4.648 -28.534 -1.454 121 HH11 ARG 14 1HH1 ARG 14 -7.683 -30.207 -1.128 122 HH12 ARG 14 2HH1 ARG 14 -7.545 -31.024 -2.649 123 HH21 ARG 14 1HH2 ARG 14 -4.455 -29.604 -3.460 124 HH22 ARG 14 2HH2 ARG 14 -5.708 -30.681 -3.975 125 H THR 15 H THR 15 -4.125 -30.844 3.013 126 HA THR 15 HA THR 15 -4.794 -32.257 5.396 127 HB THR 15 HB THR 15 -3.549 -33.445 3.740 128 HG1 THR 15 HG1 THR 15 -2.847 -34.219 5.639 129 HG21 THR 15 1HG2 THR 15 -0.972 -32.266 3.828 130 HG22 THR 15 2HG2 THR 15 -2.132 -30.985 3.475 131 HG23 THR 15 3HG2 THR 15 -2.058 -32.415 2.447 132 H GLY 16 H GLY 16 -4.996 -30.091 6.598 133 HA2 GLY 16 2HA GLY 16 -4.246 -28.835 8.369 134 HA3 GLY 16 3HA GLY 16 -2.871 -29.925 8.461 135 H LYS 17 H LYS 17 -4.023 -27.521 6.091 136 HA LYS 17 HA LYS 17 -1.313 -26.362 6.122 137 HB2 LYS 17 2HB LYS 17 -3.200 -26.975 3.919 138 HB3 LYS 17 3HB LYS 17 -2.310 -25.463 3.784 139 HG2 LYS 17 2HG LYS 17 -0.269 -27.048 4.374 140 HG3 LYS 17 3HG LYS 17 -1.338 -28.259 3.662 141 HD2 LYS 17 2HD LYS 17 -0.156 -27.519 1.818 142 HD3 LYS 17 3HD LYS 17 -1.604 -26.512 1.751 143 HE2 LYS 17 2HE LYS 17 -0.368 -24.673 1.900 144 HE3 LYS 17 3HE LYS 17 0.345 -25.242 3.408 145 HZ1 LYS 17 1HZ LYS 17 2.245 -25.390 2.301 146 HZ2 LYS 17 2HZ LYS 17 1.496 -25.118 0.810 147 HZ3 LYS 17 3HZ LYS 17 1.590 -26.687 1.435 148 H CYS 18 H CYS 18 -2.026 -25.040 7.927 149 HA CYS 18 HA CYS 18 -3.784 -22.824 7.103 150 HB2 CYS 18 2HB CYS 18 -4.202 -24.417 9.221 151 HB3 CYS 18 3HB CYS 18 -3.148 -23.227 9.977 152 H GLN 19 H GLN 19 -3.221 -20.686 7.871 153 HA GLN 19 HA GLN 19 -0.358 -20.355 8.462 154 HB2 GLN 19 2HB GLN 19 -1.715 -18.309 6.781 155 HB3 GLN 19 3HB GLN 19 -0.032 -18.819 6.789 156 HG2 GLN 19 2HG GLN 19 -2.310 -20.442 5.678 157 HG3 GLN 19 3HG GLN 19 -1.238 -19.419 4.723 158 HE21 GLN 19 1HE2 GLN 19 1.197 -19.901 5.506 159 HE22 GLN 19 2HE2 GLN 19 1.618 -21.571 5.378 160 H ARG 20 H ARG 20 0.139 -18.120 9.284 161 HA ARG 20 HA ARG 20 -2.101 -16.865 10.684 162 HB2 ARG 20 2HB ARG 20 0.434 -17.764 12.066 163 HB3 ARG 20 3HB ARG 20 -0.860 -16.831 12.804 164 HG2 ARG 20 2HG ARG 20 -2.392 -18.763 12.273 165 HG3 ARG 20 3HG ARG 20 -0.942 -19.681 11.862 166 HD2 ARG 20 2HD ARG 20 -0.625 -18.357 14.399 167 HD3 ARG 20 3HD ARG 20 -2.086 -19.343 14.393 168 HE ARG 20 HE ARG 20 0.213 -20.709 13.353 169 HH11 ARG 20 1HH1 ARG 20 -1.527 -19.847 16.243 170 HH12 ARG 20 2HH1 ARG 20 -0.907 -21.174 17.169 171 HH21 ARG 20 1HH2 ARG 20 1.036 -22.460 14.562 172 HH22 ARG 20 2HH2 ARG 20 0.552 -22.659 16.212 173 H PHE 21 H PHE 21 -2.037 -14.770 10.256 174 HA PHE 21 HA PHE 21 0.395 -13.535 9.293 175 HB2 PHE 21 2HB PHE 21 -2.282 -12.224 9.784 176 HB3 PHE 21 3HB PHE 21 -0.976 -11.632 8.763 177 HD1 PHE 21 HD1 PHE 21 -0.436 -14.548 7.678 178 HD2 PHE 21 HD2 PHE 21 -3.868 -12.045 7.948 179 HE1 PHE 21 HE1 PHE 21 -1.425 -15.702 5.742 180 HE2 PHE 21 HE2 PHE 21 -4.863 -13.195 6.014 181 HZ PHE 21 HZ PHE 21 -3.642 -15.026 4.909 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -0.050 -0.101 -0.503 2 HA2 GLY 1 2HA GLY 1 2.414 0.688 -1.364 3 HA3 GLY 1 3HA GLY 1 2.698 0.186 0.297 4 H SER 2 H SER 2 3.855 -1.644 -0.010 5 HA SER 2 HA SER 2 2.735 -3.703 -1.780 6 HB2 SER 2 2HB SER 2 5.447 -2.880 -1.081 7 HB3 SER 2 3HB SER 2 5.210 -4.621 -0.927 8 HG SER 2 HG SER 2 5.737 -4.326 -3.021 9 H LYS 3 H LYS 3 4.385 -3.484 1.376 10 HA LYS 3 HA LYS 3 3.075 -5.958 2.210 11 HB2 LYS 3 2HB LYS 3 4.629 -6.009 4.030 12 HB3 LYS 3 3HB LYS 3 5.530 -5.609 2.574 13 HG2 LYS 3 2HG LYS 3 4.775 -3.152 3.633 14 HG3 LYS 3 3HG LYS 3 5.245 -4.126 5.028 15 HD2 LYS 3 2HD LYS 3 7.417 -4.321 4.331 16 HD3 LYS 3 3HD LYS 3 6.997 -4.173 2.623 17 HE2 LYS 3 2HE LYS 3 7.719 -2.069 2.760 18 HE3 LYS 3 3HE LYS 3 6.263 -1.734 3.695 19 HZ1 LYS 3 1HZ LYS 3 7.415 -1.921 5.693 20 HZ2 LYS 3 2HZ LYS 3 8.488 -1.072 4.699 21 HZ3 LYS 3 3HZ LYS 3 8.729 -2.721 4.989 22 H LYS 4 H LYS 4 1.705 -6.110 3.965 23 HA LYS 4 HA LYS 4 1.009 -3.707 5.448 24 HB2 LYS 4 2HB LYS 4 -1.335 -3.788 4.928 25 HB3 LYS 4 3HB LYS 4 -0.442 -3.712 3.414 26 HG2 LYS 4 2HG LYS 4 -0.670 -6.376 3.682 27 HG3 LYS 4 3HG LYS 4 -2.139 -5.853 4.511 28 HD2 LYS 4 2HD LYS 4 -1.330 -4.963 1.745 29 HD3 LYS 4 3HD LYS 4 -2.453 -6.282 2.080 30 HE2 LYS 4 2HE LYS 4 -4.000 -4.789 3.125 31 HE3 LYS 4 3HE LYS 4 -2.839 -3.463 3.073 32 HZ1 LYS 4 1HZ LYS 4 -4.181 -3.009 1.282 33 HZ2 LYS 4 2HZ LYS 4 -4.412 -4.636 0.882 34 HZ3 LYS 4 3HZ LYS 4 -2.938 -3.880 0.536 35 HA PRO 5 HA PRO 5 0.767 -6.771 8.628 36 HB2 PRO 5 2HB PRO 5 -0.287 -5.184 10.562 37 HB3 PRO 5 3HB PRO 5 1.407 -5.095 10.065 38 HG2 PRO 5 2HG PRO 5 -0.895 -3.355 9.268 39 HG3 PRO 5 3HG PRO 5 0.762 -2.891 9.700 40 HD2 PRO 5 2HD PRO 5 -0.084 -3.051 7.133 41 HD3 PRO 5 3HD PRO 5 1.587 -3.414 7.612 42 H VAL 6 H VAL 6 -0.715 -8.284 9.045 43 HA VAL 6 HA VAL 6 -3.562 -7.529 8.979 44 HB VAL 6 HB VAL 6 -2.515 -10.170 7.969 45 HG11 VAL 6 1HG1 VAL 6 -5.182 -8.781 7.741 46 HG12 VAL 6 2HG1 VAL 6 -4.755 -10.281 6.915 47 HG13 VAL 6 3HG1 VAL 6 -4.817 -10.230 8.677 48 HG21 VAL 6 1HG2 VAL 6 -3.256 -7.729 6.357 49 HG22 VAL 6 2HG2 VAL 6 -1.629 -8.379 6.560 50 HG23 VAL 6 3HG2 VAL 6 -2.852 -9.317 5.703 51 HA PRO 7 HA PRO 7 -3.369 -9.374 13.035 52 HB2 PRO 7 2HB PRO 7 -5.982 -8.960 13.644 53 HB3 PRO 7 3HB PRO 7 -4.767 -7.678 13.705 54 HG2 PRO 7 2HG PRO 7 -6.760 -8.297 11.559 55 HG3 PRO 7 3HG PRO 7 -6.288 -6.724 12.228 56 HD2 PRO 7 2HD PRO 7 -5.328 -7.653 9.873 57 HD3 PRO 7 3HD PRO 7 -4.373 -6.614 10.950 58 H ILE 8 H ILE 8 -5.577 -10.236 10.461 59 HA ILE 8 HA ILE 8 -6.580 -12.595 11.756 60 HB ILE 8 HB ILE 8 -7.917 -12.916 9.922 61 HG12 ILE 8 2HG1 ILE 8 -5.512 -12.081 8.417 62 HG13 ILE 8 3HG1 ILE 8 -6.658 -13.375 8.083 63 HG21 ILE 8 1HG2 ILE 8 -7.242 -10.025 9.447 64 HG22 ILE 8 2HG2 ILE 8 -8.797 -10.830 9.246 65 HG23 ILE 8 3HG2 ILE 8 -8.137 -10.579 10.862 66 HD11 ILE 8 1HD1 ILE 8 -6.791 -11.768 6.330 67 HD12 ILE 8 2HD1 ILE 8 -8.265 -11.653 7.292 68 HD13 ILE 8 3HD1 ILE 8 -6.991 -10.449 7.483 69 H ILE 9 H ILE 9 -6.463 -14.675 10.223 70 HA ILE 9 HA ILE 9 -3.661 -15.100 9.444 71 HB ILE 9 HB ILE 9 -3.669 -17.313 10.483 72 HG12 ILE 9 2HG1 ILE 9 -5.507 -17.785 12.174 73 HG13 ILE 9 3HG1 ILE 9 -6.415 -16.478 11.422 74 HG21 ILE 9 1HG2 ILE 9 -4.319 -15.033 12.343 75 HG22 ILE 9 2HG2 ILE 9 -3.628 -16.571 12.859 76 HG23 ILE 9 3HG2 ILE 9 -2.726 -15.521 11.765 77 HD11 ILE 9 1HD1 ILE 9 -6.750 -18.990 10.716 78 HD12 ILE 9 2HD1 ILE 9 -6.845 -17.679 9.540 79 HD13 ILE 9 3HD1 ILE 9 -5.370 -18.636 9.676 80 H TYR 10 H TYR 10 -3.508 -17.404 8.383 81 HA TYR 10 HA TYR 10 -5.746 -17.618 6.478 82 HB2 TYR 10 2HB TYR 10 -3.320 -16.896 5.744 83 HB3 TYR 10 3HB TYR 10 -3.007 -18.626 5.822 84 HD1 TYR 10 HD1 TYR 10 -3.986 -20.143 4.218 85 HD2 TYR 10 HD2 TYR 10 -4.872 -15.983 4.088 86 HE1 TYR 10 HE1 TYR 10 -4.945 -20.423 1.970 87 HE2 TYR 10 HE2 TYR 10 -5.834 -16.252 1.841 88 HH TYR 10 HH TYR 10 -6.939 -18.586 0.579 89 H CYS 11 H CYS 11 -6.469 -19.656 5.865 90 HA CYS 11 HA CYS 11 -5.316 -21.984 7.206 91 HB2 CYS 11 2HB CYS 11 -7.741 -20.705 8.031 92 HB3 CYS 11 3HB CYS 11 -8.136 -22.283 7.357 93 H ASN 12 H ASN 12 -4.731 -23.073 5.415 94 HA ASN 12 HA ASN 12 -6.432 -23.171 3.083 95 HB2 ASN 12 2HB ASN 12 -3.728 -23.354 3.436 96 HB3 ASN 12 3HB ASN 12 -4.166 -25.046 3.223 97 HD21 ASN 12 1HD2 ASN 12 -4.182 -25.746 1.221 98 HD22 ASN 12 2HD2 ASN 12 -4.403 -24.783 -0.196 99 H ARG 13 H ARG 13 -8.267 -24.310 3.445 100 HA ARG 13 HA ARG 13 -8.661 -26.495 5.066 101 HB2 ARG 13 2HB ARG 13 -9.985 -25.926 2.408 102 HB3 ARG 13 3HB ARG 13 -10.592 -27.043 3.623 103 HG2 ARG 13 2HG ARG 13 -11.408 -25.398 4.924 104 HG3 ARG 13 3HG ARG 13 -10.078 -24.299 4.554 105 HD2 ARG 13 2HD ARG 13 -12.367 -24.962 2.706 106 HD3 ARG 13 3HD ARG 13 -12.233 -23.497 3.677 107 HE ARG 13 HE ARG 13 -9.950 -23.474 2.242 108 HH11 ARG 13 1HH1 ARG 13 -13.296 -23.861 1.365 109 HH12 ARG 13 2HH1 ARG 13 -13.104 -23.146 -0.201 110 HH21 ARG 13 1HH2 ARG 13 -9.683 -22.530 0.183 111 HH22 ARG 13 2HH2 ARG 13 -11.048 -22.390 -0.873 112 H ARG 14 H ARG 14 -6.552 -27.590 4.745 113 HA ARG 14 HA ARG 14 -6.874 -29.767 2.832 114 HB2 ARG 14 2HB ARG 14 -4.319 -28.160 3.020 115 HB3 ARG 14 3HB ARG 14 -4.581 -29.582 2.019 116 HG2 ARG 14 2HG ARG 14 -6.039 -26.963 1.733 117 HG3 ARG 14 3HG ARG 14 -4.686 -27.499 0.735 118 HD2 ARG 14 2HD ARG 14 -7.075 -29.261 0.997 119 HD3 ARG 14 3HD ARG 14 -7.174 -27.843 -0.046 120 HE ARG 14 HE ARG 14 -4.843 -29.171 -0.730 121 HH11 ARG 14 1HH1 ARG 14 -8.264 -29.815 -0.728 122 HH12 ARG 14 2HH1 ARG 14 -8.193 -30.899 -2.077 123 HH21 ARG 14 1HH2 ARG 14 -4.736 -30.597 -2.506 124 HH22 ARG 14 2HH2 ARG 14 -6.186 -31.345 -3.087 125 H THR 15 H THR 15 -4.213 -30.774 3.269 126 HA THR 15 HA THR 15 -4.669 -32.195 5.696 127 HB THR 15 HB THR 15 -3.562 -33.372 3.938 128 HG1 THR 15 HG1 THR 15 -2.734 -34.093 5.834 129 HG21 THR 15 1HG2 THR 15 -2.187 -30.902 3.561 130 HG22 THR 15 2HG2 THR 15 -2.189 -32.331 2.526 131 HG23 THR 15 3HG2 THR 15 -0.994 -32.176 3.813 132 H GLY 16 H GLY 16 -4.782 -30.036 6.919 133 HA2 GLY 16 2HA GLY 16 -3.893 -28.777 8.623 134 HA3 GLY 16 3HA GLY 16 -2.511 -29.863 8.599 135 H LYS 17 H LYS 17 -3.862 -27.458 6.338 136 HA LYS 17 HA LYS 17 -1.162 -26.292 6.145 137 HB2 LYS 17 2HB LYS 17 -3.226 -26.903 4.107 138 HB3 LYS 17 3HB LYS 17 -2.356 -25.388 3.903 139 HG2 LYS 17 2HG LYS 17 -0.270 -26.977 4.319 140 HG3 LYS 17 3HG LYS 17 -1.393 -28.178 3.679 141 HD2 LYS 17 2HD LYS 17 -1.776 -26.229 1.884 142 HD3 LYS 17 3HD LYS 17 -0.112 -25.865 2.345 143 HE2 LYS 17 2HE LYS 17 -0.123 -28.611 2.029 144 HE3 LYS 17 3HE LYS 17 -1.171 -28.040 0.732 145 HZ1 LYS 17 1HZ LYS 17 1.363 -28.208 0.344 146 HZ2 LYS 17 2HZ LYS 17 1.431 -26.743 1.186 147 HZ3 LYS 17 3HZ LYS 17 0.527 -26.858 -0.239 148 H CYS 18 H CYS 18 -1.725 -24.978 8.010 149 HA CYS 18 HA CYS 18 -3.551 -22.763 7.344 150 HB2 CYS 18 2HB CYS 18 -3.781 -24.366 9.486 151 HB3 CYS 18 3HB CYS 18 -2.674 -23.171 10.153 152 H GLN 19 H GLN 19 -2.929 -20.626 8.069 153 HA GLN 19 HA GLN 19 -0.027 -20.290 8.417 154 HB2 GLN 19 2HB GLN 19 -1.526 -18.243 6.863 155 HB3 GLN 19 3HB GLN 19 0.153 -18.748 6.728 156 HG2 GLN 19 2HG GLN 19 -2.206 -20.375 5.808 157 HG3 GLN 19 3HG GLN 19 -1.223 -19.345 4.769 158 HE21 GLN 19 1HE2 GLN 19 -1.618 -22.130 4.446 159 HE22 GLN 19 2HE2 GLN 19 -0.083 -22.903 4.623 160 H ARG 20 H ARG 20 0.533 -18.056 9.202 161 HA ARG 20 HA ARG 20 -1.584 -16.812 10.790 162 HB2 ARG 20 2HB ARG 20 0.912 -18.080 11.861 163 HB3 ARG 20 3HB ARG 20 0.215 -16.690 12.682 164 HG2 ARG 20 2HG ARG 20 -1.983 -18.104 12.566 165 HG3 ARG 20 3HG ARG 20 -0.857 -19.450 12.382 166 HD2 ARG 20 2HD ARG 20 0.210 -17.965 14.459 167 HD3 ARG 20 3HD ARG 20 -1.530 -17.890 14.737 168 HE ARG 20 HE ARG 20 -0.713 -20.545 14.175 169 HH11 ARG 20 1HH1 ARG 20 -0.679 -18.124 16.675 170 HH12 ARG 20 2HH1 ARG 20 -0.631 -19.274 17.970 171 HH21 ARG 20 1HH2 ARG 20 -0.651 -22.070 15.870 172 HH22 ARG 20 2HH2 ARG 20 -0.615 -21.519 17.511 173 H PHE 21 H PHE 21 -1.561 -14.715 10.366 174 HA PHE 21 HA PHE 21 0.777 -13.471 9.204 175 HB2 PHE 21 2HB PHE 21 -1.853 -12.169 9.923 176 HB3 PHE 21 3HB PHE 21 -0.639 -11.570 8.798 177 HD1 PHE 21 HD1 PHE 21 -3.589 -11.990 8.229 178 HD2 PHE 21 HD2 PHE 21 -0.185 -14.481 7.660 179 HE1 PHE 21 HE1 PHE 21 -4.741 -13.136 6.382 180 HE2 PHE 21 HE2 PHE 21 -1.332 -15.631 5.812 181 HZ PHE 21 HZ PHE 21 -3.612 -14.959 5.170 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.760 -0.320 -2.977 2 HA2 GLY 1 2HA GLY 1 2.685 -0.255 -0.768 3 HA3 GLY 1 3HA GLY 1 1.062 -0.927 -0.707 4 H SER 2 H SER 2 3.541 -2.149 0.165 5 HA SER 2 HA SER 2 3.540 -4.496 -1.617 6 HB2 SER 2 2HB SER 2 5.932 -4.843 -0.726 7 HB3 SER 2 3HB SER 2 5.687 -3.568 -1.920 8 HG SER 2 HG SER 2 6.505 -2.279 -0.491 9 H LYS 3 H LYS 3 4.375 -3.467 1.693 10 HA LYS 3 HA LYS 3 3.391 -6.070 2.657 11 HB2 LYS 3 2HB LYS 3 4.796 -5.713 4.636 12 HB3 LYS 3 3HB LYS 3 5.750 -5.678 3.159 13 HG2 LYS 3 2HG LYS 3 5.063 -3.033 3.548 14 HG3 LYS 3 3HG LYS 3 5.374 -3.634 5.179 15 HD2 LYS 3 2HD LYS 3 7.581 -3.967 4.779 16 HD3 LYS 3 3HD LYS 3 7.317 -4.423 3.094 17 HE2 LYS 3 2HE LYS 3 7.155 -2.172 2.408 18 HE3 LYS 3 3HE LYS 3 6.981 -1.598 4.066 19 HZ1 LYS 3 1HZ LYS 3 9.165 -1.388 4.214 20 HZ2 LYS 3 2HZ LYS 3 9.321 -1.841 2.592 21 HZ3 LYS 3 3HZ LYS 3 9.404 -3.013 3.809 22 H LYS 4 H LYS 4 1.805 -6.159 4.167 23 HA LYS 4 HA LYS 4 0.961 -3.739 5.543 24 HB2 LYS 4 2HB LYS 4 -0.846 -5.278 3.672 25 HB3 LYS 4 3HB LYS 4 -1.418 -4.096 4.843 26 HG2 LYS 4 2HG LYS 4 0.541 -3.478 2.644 27 HG3 LYS 4 3HG LYS 4 -1.202 -3.229 2.524 28 HD2 LYS 4 2HD LYS 4 -0.143 -2.066 4.948 29 HD3 LYS 4 3HD LYS 4 0.690 -1.439 3.523 30 HE2 LYS 4 2HE LYS 4 -1.495 -0.899 2.519 31 HE3 LYS 4 3HE LYS 4 -2.293 -1.473 3.983 32 HZ1 LYS 4 1HZ LYS 4 -2.155 0.683 4.548 33 HZ2 LYS 4 2HZ LYS 4 -0.865 1.006 3.503 34 HZ3 LYS 4 3HZ LYS 4 -0.575 0.283 5.005 35 HA PRO 5 HA PRO 5 0.399 -6.767 8.718 36 HB2 PRO 5 2HB PRO 5 -0.848 -5.161 10.516 37 HB3 PRO 5 3HB PRO 5 0.888 -5.075 10.193 38 HG2 PRO 5 2HG PRO 5 -1.322 -3.348 9.146 39 HG3 PRO 5 3HG PRO 5 0.282 -2.876 9.739 40 HD2 PRO 5 2HD PRO 5 -0.298 -3.066 7.101 41 HD3 PRO 5 3HD PRO 5 1.315 -3.421 7.752 42 H VAL 6 H VAL 6 -1.117 -8.280 8.997 43 HA VAL 6 HA VAL 6 -3.943 -7.531 8.628 44 HB VAL 6 HB VAL 6 -2.798 -10.187 7.779 45 HG11 VAL 6 1HG1 VAL 6 -5.422 -8.800 7.252 46 HG12 VAL 6 2HG1 VAL 6 -4.914 -10.307 6.488 47 HG13 VAL 6 3HG1 VAL 6 -5.160 -10.241 8.233 48 HG21 VAL 6 1HG2 VAL 6 -1.759 -8.431 6.441 49 HG22 VAL 6 2HG2 VAL 6 -2.895 -9.372 5.473 50 HG23 VAL 6 3HG2 VAL 6 -3.349 -7.771 6.057 51 HA PRO 7 HA PRO 7 -4.173 -9.308 12.712 52 HB2 PRO 7 2HB PRO 7 -6.836 -8.891 13.037 53 HB3 PRO 7 3HB PRO 7 -5.635 -7.605 13.203 54 HG2 PRO 7 2HG PRO 7 -7.392 -8.266 10.872 55 HG3 PRO 7 3HG PRO 7 -6.995 -6.680 11.559 56 HD2 PRO 7 2HD PRO 7 -5.792 -7.646 9.334 57 HD3 PRO 7 3HD PRO 7 -4.956 -6.586 10.487 58 H ILE 8 H ILE 8 -6.096 -10.220 9.935 59 HA ILE 8 HA ILE 8 -7.224 -12.561 11.160 60 HB ILE 8 HB ILE 8 -8.365 -12.915 9.203 61 HG12 ILE 8 2HG1 ILE 8 -5.819 -12.099 7.940 62 HG13 ILE 8 3HG1 ILE 8 -6.925 -13.399 7.510 63 HG21 ILE 8 1HG2 ILE 8 -7.646 -10.028 8.765 64 HG22 ILE 8 2HG2 ILE 8 -9.167 -10.840 8.396 65 HG23 ILE 8 3HG2 ILE 8 -8.696 -10.571 10.074 66 HD11 ILE 8 1HD1 ILE 8 -8.441 -11.695 6.529 67 HD12 ILE 8 2HD1 ILE 8 -7.195 -10.484 6.833 68 HD13 ILE 8 3HD1 ILE 8 -6.875 -11.820 5.728 69 H ILE 9 H ILE 9 -6.947 -14.665 9.680 70 HA ILE 9 HA ILE 9 -4.079 -15.092 9.200 71 HB ILE 9 HB ILE 9 -4.189 -17.289 10.268 72 HG12 ILE 9 2HG1 ILE 9 -6.191 -17.740 11.768 73 HG13 ILE 9 3HG1 ILE 9 -7.019 -16.448 10.906 74 HG21 ILE 9 1HG2 ILE 9 -5.032 -14.982 12.014 75 HG22 ILE 9 2HG2 ILE 9 -4.394 -16.509 12.623 76 HG23 ILE 9 3HG2 ILE 9 -3.387 -15.473 11.612 77 HD11 ILE 9 1HD1 ILE 9 -7.274 -18.972 10.210 78 HD12 ILE 9 2HD1 ILE 9 -7.251 -17.681 9.009 79 HD13 ILE 9 3HD1 ILE 9 -5.796 -18.630 9.312 80 H TYR 10 H TYR 10 -3.812 -17.412 8.197 81 HA TYR 10 HA TYR 10 -5.843 -17.664 6.077 82 HB2 TYR 10 2HB TYR 10 -3.357 -16.943 5.583 83 HB3 TYR 10 3HB TYR 10 -3.048 -18.671 5.721 84 HD1 TYR 10 HD1 TYR 10 -4.731 -16.063 3.762 85 HD2 TYR 10 HD2 TYR 10 -3.859 -20.217 4.051 86 HE1 TYR 10 HE1 TYR 10 -5.457 -16.371 1.432 87 HE2 TYR 10 HE2 TYR 10 -4.580 -20.537 1.722 88 HH TYR 10 HH TYR 10 -4.911 -18.126 -0.449 89 H CYS 11 H CYS 11 -6.495 -19.714 5.426 90 HA CYS 11 HA CYS 11 -5.480 -22.016 6.915 91 HB2 CYS 11 2HB CYS 11 -7.980 -20.735 7.466 92 HB3 CYS 11 3HB CYS 11 -8.300 -22.325 6.779 93 H ASN 12 H ASN 12 -4.712 -23.131 5.212 94 HA ASN 12 HA ASN 12 -6.162 -23.272 2.719 95 HB2 ASN 12 2HB ASN 12 -3.509 -23.439 3.351 96 HB3 ASN 12 3HB ASN 12 -3.919 -25.136 3.123 97 HD21 ASN 12 1HD2 ASN 12 -3.731 -25.871 1.142 98 HD22 ASN 12 2HD2 ASN 12 -3.806 -24.932 -0.306 99 H ARG 13 H ARG 13 -8.022 -24.412 2.907 100 HA ARG 13 HA ARG 13 -8.578 -26.572 4.514 101 HB2 ARG 13 2HB ARG 13 -9.620 -25.993 1.736 102 HB3 ARG 13 3HB ARG 13 -10.324 -27.170 2.837 103 HG2 ARG 13 2HG ARG 13 -10.037 -24.253 3.507 104 HG3 ARG 13 3HG ARG 13 -11.472 -24.943 2.744 105 HD2 ARG 13 2HD ARG 13 -11.737 -26.464 4.654 106 HD3 ARG 13 3HD ARG 13 -10.320 -25.742 5.415 107 HE ARG 13 HE ARG 13 -12.150 -23.705 4.843 108 HH11 ARG 13 1HH1 ARG 13 -11.840 -26.488 6.911 109 HH12 ARG 13 2HH1 ARG 13 -12.846 -25.835 8.161 110 HH21 ARG 13 1HH2 ARG 13 -13.477 -22.834 6.481 111 HH22 ARG 13 2HH2 ARG 13 -13.778 -23.756 7.915 112 H ARG 14 H ARG 14 -6.445 -27.665 4.430 113 HA ARG 14 HA ARG 14 -6.563 -29.873 2.529 114 HB2 ARG 14 2HB ARG 14 -4.046 -28.252 2.954 115 HB3 ARG 14 3HB ARG 14 -4.197 -29.693 1.957 116 HG2 ARG 14 2HG ARG 14 -5.626 -27.087 1.473 117 HG3 ARG 14 3HG ARG 14 -4.175 -27.634 0.631 118 HD2 ARG 14 2HD ARG 14 -6.577 -29.399 0.677 119 HD3 ARG 14 3HD ARG 14 -6.562 -28.004 -0.402 120 HE ARG 14 HE ARG 14 -5.117 -30.439 -0.732 121 HH11 ARG 14 1HH1 ARG 14 -5.008 -27.013 -1.344 122 HH12 ARG 14 2HH1 ARG 14 -3.959 -27.160 -2.715 123 HH21 ARG 14 1HH2 ARG 14 -3.737 -30.645 -2.537 124 HH22 ARG 14 2HH2 ARG 14 -3.238 -29.226 -3.394 125 H THR 15 H THR 15 -3.960 -30.864 3.256 126 HA THR 15 HA THR 15 -4.662 -32.248 5.645 127 HB THR 15 HB THR 15 -3.377 -33.449 4.030 128 HG1 THR 15 HG1 THR 15 -2.367 -34.361 5.639 129 HG21 THR 15 1HG2 THR 15 -1.975 -30.982 3.757 130 HG22 THR 15 2HG2 THR 15 -1.868 -32.426 2.751 131 HG23 THR 15 3HG2 THR 15 -0.812 -32.246 4.152 132 H GLY 16 H GLY 16 -4.904 -30.070 6.815 133 HA2 GLY 16 2HA GLY 16 -4.197 -28.781 8.581 134 HA3 GLY 16 3HA GLY 16 -2.819 -29.862 8.717 135 H LYS 17 H LYS 17 -3.934 -27.498 6.290 136 HA LYS 17 HA LYS 17 -1.231 -26.326 6.358 137 HB2 LYS 17 2HB LYS 17 -3.071 -26.977 4.128 138 HB3 LYS 17 3HB LYS 17 -2.188 -25.463 3.990 139 HG2 LYS 17 2HG LYS 17 -0.151 -27.031 4.641 140 HG3 LYS 17 3HG LYS 17 -1.199 -28.254 3.919 141 HD2 LYS 17 2HD LYS 17 -0.983 -25.770 2.373 142 HD3 LYS 17 3HD LYS 17 0.531 -26.664 2.536 143 HE2 LYS 17 2HE LYS 17 -1.915 -28.193 1.829 144 HE3 LYS 17 3HE LYS 17 -1.208 -27.158 0.589 145 HZ1 LYS 17 1HZ LYS 17 -0.443 -29.631 0.899 146 HZ2 LYS 17 2HZ LYS 17 0.572 -28.950 2.069 147 HZ3 LYS 17 3HZ LYS 17 0.661 -28.425 0.463 148 H CYS 18 H CYS 18 -1.985 -24.984 8.133 149 HA CYS 18 HA CYS 18 -3.737 -22.787 7.246 150 HB2 CYS 18 2HB CYS 18 -4.185 -24.355 9.378 151 HB3 CYS 18 3HB CYS 18 -3.152 -23.148 10.136 152 H GLN 19 H GLN 19 -3.198 -20.637 7.998 153 HA GLN 19 HA GLN 19 -0.348 -20.284 8.635 154 HB2 GLN 19 2HB GLN 19 -1.685 -18.267 6.903 155 HB3 GLN 19 3HB GLN 19 0.001 -18.768 6.948 156 HG2 GLN 19 2HG GLN 19 -2.248 -20.417 5.817 157 HG3 GLN 19 3HG GLN 19 -1.164 -19.400 4.869 158 HE21 GLN 19 1HE2 GLN 19 -1.693 -22.381 5.073 159 HE22 GLN 19 2HE2 GLN 19 -0.117 -23.074 5.218 160 H ARG 20 H ARG 20 0.124 -18.036 9.437 161 HA ARG 20 HA ARG 20 -2.147 -16.775 10.781 162 HB2 ARG 20 2HB ARG 20 0.362 -17.677 12.208 163 HB3 ARG 20 3HB ARG 20 -0.910 -16.693 12.917 164 HG2 ARG 20 2HG ARG 20 -1.618 -18.689 13.678 165 HG3 ARG 20 3HG ARG 20 -2.379 -18.771 12.087 166 HD2 ARG 20 2HD ARG 20 -0.270 -19.907 11.281 167 HD3 ARG 20 3HD ARG 20 0.206 -20.031 12.975 168 HE ARG 20 HE ARG 20 -1.755 -21.616 11.609 169 HH11 ARG 20 1HH1 ARG 20 -0.767 -20.357 14.700 170 HH12 ARG 20 2HH1 ARG 20 -1.553 -21.607 15.607 171 HH21 ARG 20 1HH2 ARG 20 -2.793 -23.267 12.791 172 HH22 ARG 20 2HH2 ARG 20 -2.704 -23.262 14.520 173 H PHE 21 H PHE 21 -2.085 -14.685 10.327 174 HA PHE 21 HA PHE 21 0.358 -13.451 9.391 175 HB2 PHE 21 2HB PHE 21 -2.335 -12.148 9.815 176 HB3 PHE 21 3HB PHE 21 -1.013 -11.561 8.812 177 HD1 PHE 21 HD1 PHE 21 -3.887 -12.000 7.948 178 HD2 PHE 21 HD2 PHE 21 -0.439 -14.489 7.774 179 HE1 PHE 21 HE1 PHE 21 -4.841 -13.179 6.011 180 HE2 PHE 21 HE2 PHE 21 -1.387 -15.672 5.837 181 HZ PHE 21 HZ PHE 21 -3.590 -15.017 4.952 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.680 0.000 0.056 2 HA2 GLY 1 2HA GLY 1 0.183 -1.167 -0.940 3 HA3 GLY 1 3HA GLY 1 1.485 -0.518 -1.925 4 H SER 2 H SER 2 3.449 -2.048 -0.208 5 HA SER 2 HA SER 2 3.187 -4.569 -1.675 6 HB2 SER 2 2HB SER 2 5.303 -3.721 -2.123 7 HB3 SER 2 3HB SER 2 5.495 -3.063 -0.498 8 HG SER 2 HG SER 2 6.658 -4.813 -0.255 9 H LYS 3 H LYS 3 4.036 -3.409 1.582 10 HA LYS 3 HA LYS 3 3.174 -6.022 2.638 11 HB2 LYS 3 2HB LYS 3 4.699 -5.680 4.502 12 HB3 LYS 3 3HB LYS 3 5.572 -5.575 2.979 13 HG2 LYS 3 2HG LYS 3 4.890 -2.968 3.429 14 HG3 LYS 3 3HG LYS 3 5.179 -3.571 5.063 15 HD2 LYS 3 2HD LYS 3 7.290 -4.635 3.719 16 HD3 LYS 3 3HD LYS 3 7.061 -3.114 2.853 17 HE2 LYS 3 2HE LYS 3 8.197 -2.121 4.488 18 HE3 LYS 3 3HE LYS 3 6.823 -2.443 5.543 19 HZ1 LYS 3 1HZ LYS 3 9.221 -3.272 6.140 20 HZ2 LYS 3 2HZ LYS 3 8.791 -4.574 5.150 21 HZ3 LYS 3 3HZ LYS 3 7.859 -4.205 6.513 22 H LYS 4 H LYS 4 1.655 -6.079 4.211 23 HA LYS 4 HA LYS 4 0.900 -3.642 5.608 24 HB2 LYS 4 2HB LYS 4 -1.475 -3.866 5.009 25 HB3 LYS 4 3HB LYS 4 -0.474 -3.544 3.599 26 HG2 LYS 4 2HG LYS 4 -0.539 -5.921 3.016 27 HG3 LYS 4 3HG LYS 4 -1.564 -6.230 4.420 28 HD2 LYS 4 2HD LYS 4 -3.392 -5.205 3.480 29 HD3 LYS 4 3HD LYS 4 -2.411 -4.155 2.455 30 HE2 LYS 4 2HE LYS 4 -3.508 -5.767 1.061 31 HE3 LYS 4 3HE LYS 4 -1.788 -6.153 1.111 32 HZ1 LYS 4 1HZ LYS 4 -3.422 -7.464 3.116 33 HZ2 LYS 4 2HZ LYS 4 -2.165 -8.083 2.168 34 HZ3 LYS 4 3HZ LYS 4 -3.721 -7.939 1.520 35 HA PRO 5 HA PRO 5 0.466 -6.642 8.829 36 HB2 PRO 5 2HB PRO 5 -0.677 -5.010 10.674 37 HB3 PRO 5 3HB PRO 5 1.042 -4.943 10.266 38 HG2 PRO 5 2HG PRO 5 -1.199 -3.202 9.314 39 HG3 PRO 5 3HG PRO 5 0.435 -2.742 9.825 40 HD2 PRO 5 2HD PRO 5 -0.274 -2.946 7.220 41 HD3 PRO 5 3HD PRO 5 1.366 -3.311 7.794 42 H VAL 6 H VAL 6 -1.049 -8.137 9.193 43 HA VAL 6 HA VAL 6 -3.882 -7.362 8.964 44 HB VAL 6 HB VAL 6 -2.806 -10.028 8.057 45 HG11 VAL 6 1HG1 VAL 6 -5.143 -10.056 8.644 46 HG12 VAL 6 2HG1 VAL 6 -5.444 -8.623 7.658 47 HG13 VAL 6 3HG1 VAL 6 -4.986 -10.144 6.889 48 HG21 VAL 6 1HG2 VAL 6 -1.822 -8.309 6.652 49 HG22 VAL 6 2HG2 VAL 6 -3.052 -9.199 5.755 50 HG23 VAL 6 3HG2 VAL 6 -3.410 -7.591 6.384 51 HA PRO 7 HA PRO 7 -3.917 -9.135 13.057 52 HB2 PRO 7 2HB PRO 7 -6.554 -8.691 13.520 53 HB3 PRO 7 3HB PRO 7 -5.333 -7.417 13.623 54 HG2 PRO 7 2HG PRO 7 -7.217 -8.059 11.386 55 HG3 PRO 7 3HG PRO 7 -6.767 -6.478 12.051 56 HD2 PRO 7 2HD PRO 7 -5.693 -7.457 9.767 57 HD3 PRO 7 3HD PRO 7 -4.787 -6.406 10.874 58 H ILE 8 H ILE 8 -5.995 -10.026 10.386 59 HA ILE 8 HA ILE 8 -7.084 -12.353 11.668 60 HB ILE 8 HB ILE 8 -8.325 -12.698 9.771 61 HG12 ILE 8 2HG1 ILE 8 -5.838 -11.906 8.380 62 HG13 ILE 8 3HG1 ILE 8 -6.974 -13.199 8.010 63 HG21 ILE 8 1HG2 ILE 8 -7.599 -9.818 9.294 64 HG22 ILE 8 2HG2 ILE 8 -9.144 -10.614 9.003 65 HG23 ILE 8 3HG2 ILE 8 -8.587 -10.349 10.655 66 HD11 ILE 8 1HD1 ILE 8 -7.003 -11.623 6.223 67 HD12 ILE 8 2HD1 ILE 8 -8.524 -11.480 7.105 68 HD13 ILE 8 3HD1 ILE 8 -7.253 -10.282 7.341 69 H ILE 9 H ILE 9 -6.905 -14.462 10.179 70 HA ILE 9 HA ILE 9 -4.070 -14.922 9.557 71 HB ILE 9 HB ILE 9 -4.150 -17.116 10.634 72 HG12 ILE 9 2HG1 ILE 9 -6.079 -17.543 12.234 73 HG13 ILE 9 3HG1 ILE 9 -6.935 -16.244 11.411 74 HG21 ILE 9 1HG2 ILE 9 -4.880 -14.798 12.416 75 HG22 ILE 9 2HG2 ILE 9 -4.228 -16.330 12.995 76 HG23 ILE 9 3HG2 ILE 9 -3.262 -15.307 11.932 77 HD11 ILE 9 1HD1 ILE 9 -7.278 -17.476 9.532 78 HD12 ILE 9 2HD1 ILE 9 -5.819 -18.441 9.762 79 HD13 ILE 9 3HD1 ILE 9 -7.254 -18.765 10.735 80 H TYR 10 H TYR 10 -3.881 -17.247 8.547 81 HA TYR 10 HA TYR 10 -6.018 -17.479 6.532 82 HB2 TYR 10 2HB TYR 10 -3.550 -16.790 5.913 83 HB3 TYR 10 3HB TYR 10 -3.257 -18.521 6.038 84 HD1 TYR 10 HD1 TYR 10 -4.165 -20.058 4.412 85 HD2 TYR 10 HD2 TYR 10 -5.005 -15.894 4.163 86 HE1 TYR 10 HE1 TYR 10 -5.008 -20.371 2.122 87 HE2 TYR 10 HE2 TYR 10 -5.851 -16.196 1.873 88 HH TYR 10 HH TYR 10 -5.350 -19.039 0.089 89 H CYS 11 H CYS 11 -6.725 -19.522 5.919 90 HA CYS 11 HA CYS 11 -5.664 -21.834 7.359 91 HB2 CYS 11 2HB CYS 11 -8.115 -20.522 8.036 92 HB3 CYS 11 3HB CYS 11 -8.491 -22.108 7.369 93 H ASN 12 H ASN 12 -4.997 -22.960 5.620 94 HA ASN 12 HA ASN 12 -6.577 -23.087 3.206 95 HB2 ASN 12 2HB ASN 12 -3.897 -23.277 3.694 96 HB3 ASN 12 3HB ASN 12 -4.332 -24.973 3.501 97 HD21 ASN 12 1HD2 ASN 12 -4.260 -25.725 1.520 98 HD22 ASN 12 2HD2 ASN 12 -4.404 -24.796 0.070 99 H ARG 13 H ARG 13 -8.437 -24.207 3.492 100 HA ARG 13 HA ARG 13 -8.931 -26.359 5.131 101 HB2 ARG 13 2HB ARG 13 -10.738 -26.962 3.470 102 HB3 ARG 13 3HB ARG 13 -10.767 -25.304 4.055 103 HG2 ARG 13 2HG ARG 13 -9.163 -25.437 1.697 104 HG3 ARG 13 3HG ARG 13 -10.721 -26.208 1.394 105 HD2 ARG 13 2HD ARG 13 -11.887 -24.230 2.154 106 HD3 ARG 13 3HD ARG 13 -10.361 -23.466 2.597 107 HE ARG 13 HE ARG 13 -11.496 -23.683 -0.041 108 HH11 ARG 13 1HH1 ARG 13 -8.588 -23.211 1.814 109 HH12 ARG 13 2HH1 ARG 13 -7.747 -22.402 0.533 110 HH21 ARG 13 1HH2 ARG 13 -10.399 -22.621 -1.735 111 HH22 ARG 13 2HH2 ARG 13 -8.778 -22.067 -1.485 112 H ARG 14 H ARG 14 -6.812 -27.470 4.934 113 HA ARG 14 HA ARG 14 -7.053 -29.679 3.045 114 HB2 ARG 14 2HB ARG 14 -4.503 -28.081 3.343 115 HB3 ARG 14 3HB ARG 14 -4.711 -29.526 2.362 116 HG2 ARG 14 2HG ARG 14 -6.114 -26.896 1.934 117 HG3 ARG 14 3HG ARG 14 -4.739 -27.501 1.008 118 HD2 ARG 14 2HD ARG 14 -6.895 -29.432 1.131 119 HD3 ARG 14 3HD ARG 14 -7.429 -27.897 0.447 120 HE ARG 14 HE ARG 14 -5.036 -28.542 -0.793 121 HH11 ARG 14 1HH1 ARG 14 -8.245 -29.865 -0.524 122 HH12 ARG 14 2HH1 ARG 14 -8.204 -30.623 -2.081 123 HH21 ARG 14 1HH2 ARG 14 -4.969 -29.536 -2.845 124 HH22 ARG 14 2HH2 ARG 14 -6.340 -30.436 -3.400 125 H THR 15 H THR 15 -4.430 -30.702 3.642 126 HA THR 15 HA THR 15 -5.029 -32.076 6.066 127 HB THR 15 HB THR 15 -3.845 -33.295 4.388 128 HG1 THR 15 HG1 THR 15 -2.759 -34.222 5.939 129 HG21 THR 15 1HG2 THR 15 -2.389 -32.293 3.033 130 HG22 THR 15 2HG2 THR 15 -1.260 -32.129 4.377 131 HG23 THR 15 3HG2 THR 15 -2.424 -30.848 4.042 132 H GLY 16 H GLY 16 -5.180 -29.892 7.242 133 HA2 GLY 16 2HA GLY 16 -4.366 -28.615 8.970 134 HA3 GLY 16 3HA GLY 16 -2.994 -29.712 9.033 135 H LYS 17 H LYS 17 -4.210 -27.336 6.666 136 HA LYS 17 HA LYS 17 -1.495 -26.191 6.593 137 HB2 LYS 17 2HB LYS 17 -3.456 -26.823 4.461 138 HB3 LYS 17 3HB LYS 17 -2.561 -25.321 4.276 139 HG2 LYS 17 2HG LYS 17 -0.514 -26.917 4.826 140 HG3 LYS 17 3HG LYS 17 -1.615 -28.125 4.158 141 HD2 LYS 17 2HD LYS 17 -1.628 -25.772 2.513 142 HD3 LYS 17 3HD LYS 17 0.030 -26.326 2.755 143 HE2 LYS 17 2HE LYS 17 -1.209 -28.676 2.268 144 HE3 LYS 17 3HE LYS 17 -2.205 -27.587 1.304 145 HZ1 LYS 17 1HZ LYS 17 0.128 -26.745 0.515 146 HZ2 LYS 17 2HZ LYS 17 -0.584 -28.108 -0.190 147 HZ3 LYS 17 3HZ LYS 17 0.620 -28.294 0.984 148 H CYS 18 H CYS 18 -2.142 -24.839 8.401 149 HA CYS 18 HA CYS 18 -3.914 -22.625 7.602 150 HB2 CYS 18 2HB CYS 18 -4.272 -24.187 9.755 151 HB3 CYS 18 3HB CYS 18 -3.188 -22.991 10.460 152 H GLN 19 H GLN 19 -3.314 -20.480 8.321 153 HA GLN 19 HA GLN 19 -0.433 -20.158 8.816 154 HB2 GLN 19 2HB GLN 19 -1.831 -18.128 7.149 155 HB3 GLN 19 3HB GLN 19 -0.151 -18.649 7.111 156 HG2 GLN 19 2HG GLN 19 -2.471 -20.275 6.098 157 HG3 GLN 19 3HG GLN 19 -1.428 -19.270 5.093 158 HE21 GLN 19 1HE2 GLN 19 -1.768 -21.995 4.675 159 HE22 GLN 19 2HE2 GLN 19 -0.273 -22.799 4.993 160 H ARG 20 H ARG 20 0.103 -17.915 9.590 161 HA ARG 20 HA ARG 20 -2.085 -16.626 11.041 162 HB2 ARG 20 2HB ARG 20 -0.740 -16.553 13.114 163 HB3 ARG 20 3HB ARG 20 -1.173 -18.193 12.649 164 HG2 ARG 20 2HG ARG 20 1.203 -18.045 11.452 165 HG3 ARG 20 3HG ARG 20 1.474 -16.882 12.751 166 HD2 ARG 20 2HD ARG 20 1.707 -18.515 14.240 167 HD3 ARG 20 3HD ARG 20 0.161 -19.222 13.773 168 HE ARG 20 HE ARG 20 1.291 -20.787 12.547 169 HH11 ARG 20 1HH1 ARG 20 3.439 -18.144 13.270 170 HH12 ARG 20 2HH1 ARG 20 4.843 -18.943 12.643 171 HH21 ARG 20 1HH2 ARG 20 3.132 -21.849 11.719 172 HH22 ARG 20 2HH2 ARG 20 4.667 -21.050 11.761 173 H PHE 21 H PHE 21 -2.021 -14.537 10.581 174 HA PHE 21 HA PHE 21 0.387 -13.332 9.525 175 HB2 PHE 21 2HB PHE 21 -2.266 -11.997 10.079 176 HB3 PHE 21 3HB PHE 21 -0.988 -11.428 9.010 177 HD1 PHE 21 HD1 PHE 21 -3.908 -11.835 8.293 178 HD2 PHE 21 HD2 PHE 21 -0.501 -14.363 7.950 179 HE1 PHE 21 HE1 PHE 21 -4.971 -13.007 6.409 180 HE2 PHE 21 HE2 PHE 21 -1.558 -15.538 6.064 181 HZ PHE 21 HZ PHE 21 -3.796 -14.860 5.291 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -0.168 -1.464 -1.211 2 HA2 GLY 1 2HA GLY 1 2.353 0.008 -1.623 3 HA3 GLY 1 3HA GLY 1 1.780 -0.599 -0.076 4 H SER 2 H SER 2 3.141 -2.111 0.606 5 HA SER 2 HA SER 2 3.821 -4.292 -1.237 6 HB2 SER 2 2HB SER 2 5.709 -2.617 0.389 7 HB3 SER 2 3HB SER 2 6.110 -4.295 0.022 8 HG SER 2 HG SER 2 6.908 -3.291 -1.695 9 H LYS 3 H LYS 3 3.958 -3.211 2.151 10 HA LYS 3 HA LYS 3 3.114 -5.918 2.949 11 HB2 LYS 3 2HB LYS 3 4.963 -4.136 4.540 12 HB3 LYS 3 3HB LYS 3 4.503 -5.791 4.916 13 HG2 LYS 3 2HG LYS 3 5.702 -6.604 2.984 14 HG3 LYS 3 3HG LYS 3 6.089 -4.952 2.497 15 HD2 LYS 3 2HD LYS 3 6.899 -6.030 5.180 16 HD3 LYS 3 3HD LYS 3 7.888 -6.295 3.743 17 HE2 LYS 3 2HE LYS 3 7.042 -3.524 4.058 18 HE3 LYS 3 3HE LYS 3 8.006 -4.108 5.413 19 HZ1 LYS 3 1HZ LYS 3 9.318 -5.020 3.197 20 HZ2 LYS 3 2HZ LYS 3 9.763 -3.692 4.144 21 HZ3 LYS 3 3HZ LYS 3 8.824 -3.463 2.756 22 H LYS 4 H LYS 4 1.550 -6.064 4.504 23 HA LYS 4 HA LYS 4 0.679 -3.673 5.912 24 HB2 LYS 4 2HB LYS 4 -1.224 -5.241 4.162 25 HB3 LYS 4 3HB LYS 4 -1.636 -3.866 5.178 26 HG2 LYS 4 2HG LYS 4 0.027 -2.542 3.773 27 HG3 LYS 4 3HG LYS 4 -0.022 -3.905 2.652 28 HD2 LYS 4 2HD LYS 4 -2.596 -2.724 3.578 29 HD3 LYS 4 3HD LYS 4 -1.647 -1.846 2.377 30 HE2 LYS 4 2HE LYS 4 -1.631 -4.468 1.475 31 HE3 LYS 4 3HE LYS 4 -3.269 -4.233 2.084 32 HZ1 LYS 4 1HZ LYS 4 -3.746 -3.104 0.259 33 HZ2 LYS 4 2HZ LYS 4 -2.174 -3.329 -0.324 34 HZ3 LYS 4 3HZ LYS 4 -2.542 -1.968 0.610 35 HA PRO 5 HA PRO 5 0.144 -6.749 9.044 36 HB2 PRO 5 2HB PRO 5 -1.122 -5.179 10.862 37 HB3 PRO 5 3HB PRO 5 0.613 -5.072 10.542 38 HG2 PRO 5 2HG PRO 5 -1.612 -3.352 9.516 39 HG3 PRO 5 3HG PRO 5 -0.014 -2.873 10.117 40 HD2 PRO 5 2HD PRO 5 -0.588 -3.033 7.476 41 HD3 PRO 5 3HD PRO 5 1.027 -3.381 8.125 42 H VAL 6 H VAL 6 -1.358 -8.280 9.301 43 HA VAL 6 HA VAL 6 -4.191 -7.554 8.941 44 HB VAL 6 HB VAL 6 -3.016 -10.183 8.047 45 HG11 VAL 6 1HG1 VAL 6 -5.658 -8.821 7.540 46 HG12 VAL 6 2HG1 VAL 6 -5.132 -10.315 6.763 47 HG13 VAL 6 3HG1 VAL 6 -5.378 -10.268 8.509 48 HG21 VAL 6 1HG2 VAL 6 -2.005 -8.385 6.738 49 HG22 VAL 6 2HG2 VAL 6 -3.123 -9.333 5.757 50 HG23 VAL 6 3HG2 VAL 6 -3.607 -7.749 6.363 51 HA PRO 7 HA PRO 7 -4.402 -9.400 12.996 52 HB2 PRO 7 2HB PRO 7 -7.068 -9.014 13.328 53 HB3 PRO 7 3HB PRO 7 -5.879 -7.719 13.516 54 HG2 PRO 7 2HG PRO 7 -7.632 -8.357 11.174 55 HG3 PRO 7 3HG PRO 7 -7.248 -6.780 11.887 56 HD2 PRO 7 2HD PRO 7 -6.038 -7.697 9.646 57 HD3 PRO 7 3HD PRO 7 -5.211 -6.649 10.816 58 H ILE 8 H ILE 8 -6.320 -10.283 10.205 59 HA ILE 8 HA ILE 8 -7.427 -12.653 11.390 60 HB ILE 8 HB ILE 8 -8.562 -12.987 9.426 61 HG12 ILE 8 2HG1 ILE 8 -6.021 -12.126 8.180 62 HG13 ILE 8 3HG1 ILE 8 -7.113 -13.431 7.728 63 HG21 ILE 8 1HG2 ILE 8 -7.868 -10.087 9.036 64 HG22 ILE 8 2HG2 ILE 8 -9.381 -10.906 8.651 65 HG23 ILE 8 3HG2 ILE 8 -8.915 -10.660 10.334 66 HD11 ILE 8 1HD1 ILE 8 -8.645 -11.728 6.771 67 HD12 ILE 8 2HD1 ILE 8 -7.413 -10.509 7.095 68 HD13 ILE 8 3HD1 ILE 8 -7.077 -11.824 5.970 69 H ILE 9 H ILE 9 -7.130 -14.731 9.878 70 HA ILE 9 HA ILE 9 -4.257 -15.126 9.396 71 HB ILE 9 HB ILE 9 -4.350 -17.340 10.431 72 HG12 ILE 9 2HG1 ILE 9 -6.349 -17.832 11.921 73 HG13 ILE 9 3HG1 ILE 9 -7.187 -16.534 11.077 74 HG21 ILE 9 1HG2 ILE 9 -3.565 -15.537 11.803 75 HG22 ILE 9 2HG2 ILE 9 -5.215 -15.068 12.210 76 HG23 ILE 9 3HG2 ILE 9 -4.563 -16.597 12.797 77 HD11 ILE 9 1HD1 ILE 9 -7.408 -17.738 9.162 78 HD12 ILE 9 2HD1 ILE 9 -5.946 -18.680 9.451 79 HD13 ILE 9 3HD1 ILE 9 -7.422 -19.048 10.343 80 H TYR 10 H TYR 10 -3.970 -17.428 8.359 81 HA TYR 10 HA TYR 10 -5.995 -17.666 6.232 82 HB2 TYR 10 2HB TYR 10 -3.515 -16.916 5.752 83 HB3 TYR 10 3HB TYR 10 -3.190 -18.642 5.866 84 HD1 TYR 10 HD1 TYR 10 -3.992 -20.175 4.177 85 HD2 TYR 10 HD2 TYR 10 -4.884 -16.021 3.937 86 HE1 TYR 10 HE1 TYR 10 -4.708 -20.469 1.842 87 HE2 TYR 10 HE2 TYR 10 -5.603 -16.305 1.602 88 HH TYR 10 HH TYR 10 -5.983 -19.439 0.163 89 H CYS 11 H CYS 11 -6.630 -19.710 5.551 90 HA CYS 11 HA CYS 11 -5.596 -22.027 7.005 91 HB2 CYS 11 2HB CYS 11 -8.107 -20.775 7.573 92 HB3 CYS 11 3HB CYS 11 -8.413 -22.357 6.863 93 H ASN 12 H ASN 12 -4.818 -23.109 5.285 94 HA ASN 12 HA ASN 12 -6.266 -23.224 2.789 95 HB2 ASN 12 2HB ASN 12 -3.613 -23.373 3.415 96 HB3 ASN 12 3HB ASN 12 -4.004 -25.073 3.172 97 HD21 ASN 12 1HD2 ASN 12 -3.814 -25.788 1.184 98 HD22 ASN 12 2HD2 ASN 12 -3.899 -24.837 -0.256 99 H ARG 13 H ARG 13 -8.116 -24.383 2.958 100 HA ARG 13 HA ARG 13 -8.654 -26.572 4.532 101 HB2 ARG 13 2HB ARG 13 -9.700 -25.867 1.789 102 HB3 ARG 13 3HB ARG 13 -10.353 -27.182 2.757 103 HG2 ARG 13 2HG ARG 13 -11.254 -25.747 4.335 104 HG3 ARG 13 3HG ARG 13 -10.183 -24.419 3.883 105 HD2 ARG 13 2HD ARG 13 -11.364 -24.137 1.789 106 HD3 ARG 13 3HD ARG 13 -12.383 -25.531 2.146 107 HE ARG 13 HE ARG 13 -13.670 -24.199 3.488 108 HH11 ARG 13 1HH1 ARG 13 -10.641 -22.599 2.867 109 HH12 ARG 13 2HH1 ARG 13 -11.126 -21.110 3.608 110 HH21 ARG 13 1HH2 ARG 13 -14.321 -22.244 4.466 111 HH22 ARG 13 2HH2 ARG 13 -13.219 -20.909 4.518 112 H ARG 14 H ARG 14 -6.506 -27.640 4.431 113 HA ARG 14 HA ARG 14 -6.604 -29.820 2.495 114 HB2 ARG 14 2HB ARG 14 -4.105 -28.180 2.955 115 HB3 ARG 14 3HB ARG 14 -4.232 -29.612 1.942 116 HG2 ARG 14 2HG ARG 14 -5.662 -27.001 1.481 117 HG3 ARG 14 3HG ARG 14 -4.228 -27.564 0.620 118 HD2 ARG 14 2HD ARG 14 -6.349 -29.538 0.597 119 HD3 ARG 14 3HD ARG 14 -6.877 -28.002 -0.088 120 HE ARG 14 HE ARG 14 -5.052 -29.861 -1.252 121 HH11 ARG 14 1HH1 ARG 14 -5.852 -26.481 -1.023 122 HH12 ARG 14 2HH1 ARG 14 -5.146 -26.076 -2.553 123 HH21 ARG 14 1HH2 ARG 14 -4.119 -29.341 -3.268 124 HH22 ARG 14 2HH2 ARG 14 -4.162 -27.704 -3.829 125 H THR 15 H THR 15 -3.997 -30.804 3.214 126 HA THR 15 HA THR 15 -4.697 -32.230 5.580 127 HB THR 15 HB THR 15 -3.404 -33.399 3.948 128 HG1 THR 15 HG1 THR 15 -1.427 -32.914 5.889 129 HG21 THR 15 1HG2 THR 15 -2.014 -30.921 3.715 130 HG22 THR 15 2HG2 THR 15 -1.896 -32.351 2.689 131 HG23 THR 15 3HG2 THR 15 -0.845 -32.185 4.095 132 H GLY 16 H GLY 16 -4.951 -30.069 6.781 133 HA2 GLY 16 2HA GLY 16 -4.254 -28.808 8.570 134 HA3 GLY 16 3HA GLY 16 -2.866 -29.881 8.688 135 H LYS 17 H LYS 17 -4.002 -27.485 6.301 136 HA LYS 17 HA LYS 17 -1.309 -26.291 6.389 137 HB2 LYS 17 2HB LYS 17 -3.139 -26.928 4.147 138 HB3 LYS 17 3HB LYS 17 -2.274 -25.401 4.033 139 HG2 LYS 17 2HG LYS 17 -0.465 -26.459 3.335 140 HG3 LYS 17 3HG LYS 17 -0.428 -27.412 4.821 141 HD2 LYS 17 2HD LYS 17 -2.136 -28.930 3.744 142 HD3 LYS 17 3HD LYS 17 -1.834 -28.062 2.237 143 HE2 LYS 17 2HE LYS 17 0.671 -28.614 2.795 144 HE3 LYS 17 3HE LYS 17 -0.048 -29.892 3.774 145 HZ1 LYS 17 1HZ LYS 17 0.256 -29.742 0.945 146 HZ2 LYS 17 2HZ LYS 17 -1.355 -30.029 1.372 147 HZ3 LYS 17 3HZ LYS 17 -0.139 -31.073 1.913 148 H CYS 18 H CYS 18 -2.076 -24.983 8.183 149 HA CYS 18 HA CYS 18 -3.846 -22.788 7.327 150 HB2 CYS 18 2HB CYS 18 -4.283 -24.392 9.435 151 HB3 CYS 18 3HB CYS 18 -3.263 -23.187 10.213 152 H GLN 19 H GLN 19 -3.327 -20.645 8.112 153 HA GLN 19 HA GLN 19 -0.481 -20.277 8.759 154 HB2 GLN 19 2HB GLN 19 -1.832 -18.245 7.057 155 HB3 GLN 19 3HB GLN 19 -0.143 -18.733 7.096 156 HG2 GLN 19 2HG GLN 19 -2.377 -20.383 5.937 157 HG3 GLN 19 3HG GLN 19 -1.301 -19.343 5.006 158 HE21 GLN 19 1HE2 GLN 19 -1.577 -22.073 4.537 159 HE22 GLN 19 2HE2 GLN 19 -0.084 -22.854 4.916 160 H ARG 20 H ARG 20 -0.030 -18.038 9.597 161 HA ARG 20 HA ARG 20 -2.314 -16.817 10.955 162 HB2 ARG 20 2HB ARG 20 -0.950 -16.712 13.075 163 HB3 ARG 20 3HB ARG 20 -1.540 -18.310 12.638 164 HG2 ARG 20 2HG ARG 20 0.693 -18.791 11.648 165 HG3 ARG 20 3HG ARG 20 1.252 -17.246 12.292 166 HD2 ARG 20 2HD ARG 20 0.954 -17.953 14.521 167 HD3 ARG 20 3HD ARG 20 -0.007 -19.348 14.030 168 HE ARG 20 HE ARG 20 1.931 -20.512 13.664 169 HH11 ARG 20 1HH1 ARG 20 2.665 -17.120 13.933 170 HH12 ARG 20 2HH1 ARG 20 4.381 -17.359 13.954 171 HH21 ARG 20 1HH2 ARG 20 4.188 -20.841 13.691 172 HH22 ARG 20 2HH2 ARG 20 5.246 -19.476 13.815 173 H PHE 21 H PHE 21 -2.269 -14.720 10.533 174 HA PHE 21 HA PHE 21 0.164 -13.451 9.621 175 HB2 PHE 21 2HB PHE 21 -2.541 -12.177 10.061 176 HB3 PHE 21 3HB PHE 21 -1.222 -11.564 9.068 177 HD1 PHE 21 HD1 PHE 21 -4.091 -12.014 8.194 178 HD2 PHE 21 HD2 PHE 21 -0.621 -14.471 7.987 179 HE1 PHE 21 HE1 PHE 21 -5.032 -13.172 6.237 180 HE2 PHE 21 HE2 PHE 21 -1.556 -15.632 6.029 181 HZ PHE 21 HZ PHE 21 -3.763 -14.983 5.152 Start of MODEL 12 1 H1 GLY 1 H GLY 1 2.084 -1.265 -3.646 2 HA2 GLY 1 2HA GLY 1 2.423 -0.634 -0.922 3 HA3 GLY 1 3HA GLY 1 1.046 -1.715 -1.084 4 H SER 2 H SER 2 3.453 -2.308 0.308 5 HA SER 2 HA SER 2 4.438 -4.546 -1.334 6 HB2 SER 2 2HB SER 2 5.944 -2.387 -0.209 7 HB3 SER 2 3HB SER 2 6.411 -3.882 0.602 8 HG SER 2 HG SER 2 6.529 -4.731 -1.667 9 H LYS 3 H LYS 3 4.172 -3.338 2.005 10 HA LYS 3 HA LYS 3 3.391 -6.044 2.836 11 HB2 LYS 3 2HB LYS 3 4.722 -5.761 4.914 12 HB3 LYS 3 3HB LYS 3 5.713 -5.839 3.463 13 HG2 LYS 3 2HG LYS 3 5.723 -3.303 3.509 14 HG3 LYS 3 3HG LYS 3 5.052 -3.437 5.136 15 HD2 LYS 3 2HD LYS 3 6.974 -4.581 5.929 16 HD3 LYS 3 3HD LYS 3 7.587 -4.826 4.292 17 HE2 LYS 3 2HE LYS 3 7.486 -2.179 4.259 18 HE3 LYS 3 3HE LYS 3 7.629 -2.394 6.003 19 HZ1 LYS 3 1HZ LYS 3 9.736 -2.205 4.486 20 HZ2 LYS 3 2HZ LYS 3 9.476 -3.862 4.267 21 HZ3 LYS 3 3HZ LYS 3 9.720 -3.243 5.822 22 H LYS 4 H LYS 4 1.812 -6.148 4.378 23 HA LYS 4 HA LYS 4 0.979 -3.731 5.765 24 HB2 LYS 4 2HB LYS 4 -0.952 -5.273 4.023 25 HB3 LYS 4 3HB LYS 4 -1.328 -3.868 5.011 26 HG2 LYS 4 2HG LYS 4 0.293 -2.567 3.607 27 HG3 LYS 4 3HG LYS 4 0.381 -3.971 2.540 28 HD2 LYS 4 2HD LYS 4 -2.039 -3.833 2.170 29 HD3 LYS 4 3HD LYS 4 -2.119 -2.424 3.231 30 HE2 LYS 4 2HE LYS 4 -0.147 -2.226 1.065 31 HE3 LYS 4 3HE LYS 4 -1.822 -2.326 0.527 32 HZ1 LYS 4 1HZ LYS 4 -1.693 -0.107 0.844 33 HZ2 LYS 4 2HZ LYS 4 -0.471 -0.213 2.009 34 HZ3 LYS 4 3HZ LYS 4 -2.077 -0.526 2.437 35 HA PRO 5 HA PRO 5 0.359 -6.776 8.911 36 HB2 PRO 5 2HB PRO 5 -0.887 -5.170 10.711 37 HB3 PRO 5 3HB PRO 5 0.852 -5.100 10.403 38 HG2 PRO 5 2HG PRO 5 -1.330 -3.342 9.350 39 HG3 PRO 5 3HG PRO 5 0.272 -2.892 9.961 40 HD2 PRO 5 2HD PRO 5 -0.286 -3.056 7.316 41 HD3 PRO 5 3HD PRO 5 1.318 -3.432 7.979 42 H VAL 6 H VAL 6 -1.176 -8.274 9.168 43 HA VAL 6 HA VAL 6 -3.991 -7.493 8.786 44 HB VAL 6 HB VAL 6 -2.866 -10.149 7.909 45 HG11 VAL 6 1HG1 VAL 6 -5.232 -10.186 8.351 46 HG12 VAL 6 2HG1 VAL 6 -5.475 -8.732 7.381 47 HG13 VAL 6 3HG1 VAL 6 -4.975 -10.236 6.607 48 HG21 VAL 6 1HG2 VAL 6 -2.948 -9.302 5.614 49 HG22 VAL 6 2HG2 VAL 6 -3.385 -7.704 6.218 50 HG23 VAL 6 3HG2 VAL 6 -1.804 -8.388 6.597 51 HA PRO 7 HA PRO 7 -4.265 -9.319 12.845 52 HB2 PRO 7 2HB PRO 7 -6.926 -8.880 13.158 53 HB3 PRO 7 3HB PRO 7 -5.714 -7.608 13.349 54 HG2 PRO 7 2HG PRO 7 -7.462 -8.221 10.998 55 HG3 PRO 7 3HG PRO 7 -7.053 -6.649 11.708 56 HD2 PRO 7 2HD PRO 7 -5.846 -7.598 9.478 57 HD3 PRO 7 3HD PRO 7 -5.007 -6.562 10.650 58 H ILE 8 H ILE 8 -6.180 -10.176 10.045 59 HA ILE 8 HA ILE 8 -7.340 -12.520 11.232 60 HB ILE 8 HB ILE 8 -8.471 -12.839 9.264 61 HG12 ILE 8 2HG1 ILE 8 -5.909 -12.033 8.027 62 HG13 ILE 8 3HG1 ILE 8 -7.024 -13.317 7.575 63 HG21 ILE 8 1HG2 ILE 8 -9.259 -10.751 8.492 64 HG22 ILE 8 2HG2 ILE 8 -8.767 -10.494 10.166 65 HG23 ILE 8 3HG2 ILE 8 -7.725 -9.957 8.848 66 HD11 ILE 8 1HD1 ILE 8 -6.948 -11.717 5.812 67 HD12 ILE 8 2HD1 ILE 8 -8.517 -11.584 6.606 68 HD13 ILE 8 3HD1 ILE 8 -7.260 -10.391 6.932 69 H ILE 9 H ILE 9 -7.074 -14.608 9.728 70 HA ILE 9 HA ILE 9 -4.207 -15.059 9.262 71 HB ILE 9 HB ILE 9 -4.346 -17.267 10.303 72 HG12 ILE 9 2HG1 ILE 9 -6.363 -17.717 11.783 73 HG13 ILE 9 3HG1 ILE 9 -7.172 -16.407 10.931 74 HG21 ILE 9 1HG2 ILE 9 -5.179 -14.975 12.071 75 HG22 ILE 9 2HG2 ILE 9 -4.559 -16.514 12.665 76 HG23 ILE 9 3HG2 ILE 9 -3.536 -15.476 11.674 77 HD11 ILE 9 1HD1 ILE 9 -7.448 -18.919 10.203 78 HD12 ILE 9 2HD1 ILE 9 -7.404 -17.613 9.018 79 HD13 ILE 9 3HD1 ILE 9 -5.960 -18.580 9.319 80 H TYR 10 H TYR 10 -3.957 -17.369 8.233 81 HA TYR 10 HA TYR 10 -5.976 -17.574 6.095 82 HB2 TYR 10 2HB TYR 10 -3.478 -16.875 5.628 83 HB3 TYR 10 3HB TYR 10 -3.190 -18.607 5.746 84 HD1 TYR 10 HD1 TYR 10 -4.000 -20.122 4.050 85 HD2 TYR 10 HD2 TYR 10 -4.833 -15.957 3.810 86 HE1 TYR 10 HE1 TYR 10 -4.709 -20.405 1.712 87 HE2 TYR 10 HE2 TYR 10 -5.546 -16.228 1.472 88 HH TYR 10 HH TYR 10 -5.973 -19.351 0.031 89 H CYS 11 H CYS 11 -6.644 -19.609 5.415 90 HA CYS 11 HA CYS 11 -5.664 -21.940 6.882 91 HB2 CYS 11 2HB CYS 11 -8.154 -20.639 7.432 92 HB3 CYS 11 3HB CYS 11 -8.485 -22.218 6.726 93 H ASN 12 H ASN 12 -4.896 -23.042 5.169 94 HA ASN 12 HA ASN 12 -6.334 -23.136 2.666 95 HB2 ASN 12 2HB ASN 12 -3.689 -23.326 3.298 96 HB3 ASN 12 3HB ASN 12 -4.105 -25.023 3.074 97 HD21 ASN 12 1HD2 ASN 12 -3.950 -25.770 1.093 98 HD22 ASN 12 2HD2 ASN 12 -4.004 -24.833 -0.357 99 H ARG 13 H ARG 13 -8.206 -24.261 2.828 100 HA ARG 13 HA ARG 13 -8.794 -26.433 4.405 101 HB2 ARG 13 2HB ARG 13 -9.810 -25.724 1.653 102 HB3 ARG 13 3HB ARG 13 -10.496 -27.017 2.628 103 HG2 ARG 13 2HG ARG 13 -10.286 -24.213 3.665 104 HG3 ARG 13 3HG ARG 13 -11.648 -24.742 2.676 105 HD2 ARG 13 2HD ARG 13 -11.582 -26.738 4.473 106 HD3 ARG 13 3HD ARG 13 -10.937 -25.427 5.459 107 HE ARG 13 HE ARG 13 -13.152 -24.353 4.302 108 HH11 ARG 13 1HH1 ARG 13 -12.534 -27.202 6.204 109 HH12 ARG 13 2HH1 ARG 13 -14.113 -27.228 6.916 110 HH21 ARG 13 1HH2 ARG 13 -15.234 -24.375 5.233 111 HH22 ARG 13 2HH2 ARG 13 -15.648 -25.620 6.362 112 H ARG 14 H ARG 14 -6.664 -27.540 4.319 113 HA ARG 14 HA ARG 14 -6.791 -29.724 2.390 114 HB2 ARG 14 2HB ARG 14 -4.276 -28.110 2.856 115 HB3 ARG 14 3HB ARG 14 -4.399 -29.562 1.872 116 HG2 ARG 14 2HG ARG 14 -5.794 -26.948 1.336 117 HG3 ARG 14 3HG ARG 14 -4.364 -27.555 0.499 118 HD2 ARG 14 2HD ARG 14 -6.482 -29.515 0.494 119 HD3 ARG 14 3HD ARG 14 -7.036 -27.985 -0.183 120 HE ARG 14 HE ARG 14 -5.579 -28.261 -1.958 121 HH11 ARG 14 1HH1 ARG 14 -5.030 -30.703 0.461 122 HH12 ARG 14 2HH1 ARG 14 -4.021 -31.673 -0.560 123 HH21 ARG 14 1HH2 ARG 14 -4.253 -29.529 -3.313 124 HH22 ARG 14 2HH2 ARG 14 -3.579 -31.004 -2.706 125 H THR 15 H THR 15 -4.213 -30.761 3.127 126 HA THR 15 HA THR 15 -4.954 -32.164 5.494 127 HB THR 15 HB THR 15 -3.677 -33.364 3.872 128 HG1 THR 15 HG1 THR 15 -3.046 -34.126 5.809 129 HG21 THR 15 1HG2 THR 15 -2.232 -30.916 3.642 130 HG22 THR 15 2HG2 THR 15 -2.142 -32.350 2.618 131 HG23 THR 15 3HG2 THR 15 -1.093 -32.206 4.029 132 H GLY 16 H GLY 16 -5.170 -29.994 6.686 133 HA2 GLY 16 2HA GLY 16 -4.456 -28.743 8.477 134 HA3 GLY 16 3HA GLY 16 -3.091 -29.842 8.603 135 H LYS 17 H LYS 17 -4.170 -27.432 6.205 136 HA LYS 17 HA LYS 17 -1.455 -26.288 6.303 137 HB2 LYS 17 2HB LYS 17 -3.291 -26.886 4.052 138 HB3 LYS 17 3HB LYS 17 -2.378 -25.387 3.940 139 HG2 LYS 17 2HG LYS 17 -0.375 -26.999 4.585 140 HG3 LYS 17 3HG LYS 17 -1.441 -28.196 3.846 141 HD2 LYS 17 2HD LYS 17 -0.134 -27.443 2.066 142 HD3 LYS 17 3HD LYS 17 -1.631 -26.523 1.902 143 HE2 LYS 17 2HE LYS 17 -0.459 -24.713 3.272 144 HE3 LYS 17 3HE LYS 17 1.029 -25.604 2.954 145 HZ1 LYS 17 1HZ LYS 17 -0.655 -25.000 0.655 146 HZ2 LYS 17 2HZ LYS 17 1.031 -25.010 0.788 147 HZ3 LYS 17 3HZ LYS 17 0.145 -23.691 1.368 148 H CYS 18 H CYS 18 -2.205 -24.959 8.087 149 HA CYS 18 HA CYS 18 -3.930 -22.735 7.216 150 HB2 CYS 18 2HB CYS 18 -4.409 -24.323 9.325 151 HB3 CYS 18 3HB CYS 18 -3.370 -23.136 10.105 152 H GLN 19 H GLN 19 -3.375 -20.599 7.997 153 HA GLN 19 HA GLN 19 -0.526 -20.283 8.659 154 HB2 GLN 19 2HB GLN 19 -1.830 -18.231 6.942 155 HB3 GLN 19 3HB GLN 19 -0.150 -18.751 6.993 156 HG2 GLN 19 2HG GLN 19 -2.408 -20.363 5.827 157 HG3 GLN 19 3HG GLN 19 -1.309 -19.345 4.898 158 HE21 GLN 19 1HE2 GLN 19 1.104 -19.837 5.734 159 HE22 GLN 19 2HE2 GLN 19 1.521 -21.509 5.620 160 H ARG 20 H ARG 20 -0.038 -18.049 9.492 161 HA ARG 20 HA ARG 20 -2.306 -16.781 10.833 162 HB2 ARG 20 2HB ARG 20 -1.082 -16.736 12.980 163 HB3 ARG 20 3HB ARG 20 -1.483 -18.370 12.469 164 HG2 ARG 20 2HG ARG 20 0.989 -18.085 11.395 165 HG3 ARG 20 3HG ARG 20 1.128 -17.098 12.852 166 HD2 ARG 20 2HD ARG 20 1.755 -19.200 13.599 167 HD3 ARG 20 3HD ARG 20 0.050 -19.125 14.040 168 HE ARG 20 HE ARG 20 0.003 -20.276 11.595 169 HH11 ARG 20 1HH1 ARG 20 1.757 -20.957 14.524 170 HH12 ARG 20 2HH1 ARG 20 1.849 -22.661 14.226 171 HH21 ARG 20 1HH2 ARG 20 0.118 -22.518 11.191 172 HH22 ARG 20 2HH2 ARG 20 0.918 -23.548 12.330 173 H PHE 21 H PHE 21 -2.219 -14.686 10.407 174 HA PHE 21 HA PHE 21 0.243 -13.466 9.504 175 HB2 PHE 21 2HB PHE 21 -2.439 -12.140 9.925 176 HB3 PHE 21 3HB PHE 21 -1.103 -11.556 8.938 177 HD1 PHE 21 HD1 PHE 21 -0.552 -14.475 7.868 178 HD2 PHE 21 HD2 PHE 21 -3.976 -11.954 8.049 179 HE1 PHE 21 HE1 PHE 21 -1.498 -15.625 5.909 180 HE2 PHE 21 HE2 PHE 21 -4.928 -13.100 6.091 181 HZ PHE 21 HZ PHE 21 -3.689 -14.939 5.019 Start of MODEL 13 1 H1 GLY 1 H GLY 1 1.550 1.650 -0.065 2 HA2 GLY 1 2HA GLY 1 3.665 0.998 -0.767 3 HA3 GLY 1 3HA GLY 1 3.705 0.346 0.864 4 H SER 2 H SER 2 4.403 -1.673 0.916 5 HA SER 2 HA SER 2 3.635 -3.475 -1.287 6 HB2 SER 2 2HB SER 2 5.994 -3.060 -1.473 7 HB3 SER 2 3HB SER 2 6.235 -3.341 0.251 8 HG SER 2 HG SER 2 5.837 -5.168 -1.818 9 H LYS 3 H LYS 3 4.707 -3.435 2.110 10 HA LYS 3 HA LYS 3 3.210 -5.915 2.569 11 HB2 LYS 3 2HB LYS 3 4.439 -5.949 4.751 12 HB3 LYS 3 3HB LYS 3 5.477 -6.039 3.334 13 HG2 LYS 3 2HG LYS 3 5.061 -3.304 4.167 14 HG3 LYS 3 3HG LYS 3 5.721 -4.294 5.472 15 HD2 LYS 3 2HD LYS 3 7.374 -5.140 3.667 16 HD3 LYS 3 3HD LYS 3 6.882 -3.699 2.774 17 HE2 LYS 3 2HE LYS 3 7.402 -2.883 5.421 18 HE3 LYS 3 3HE LYS 3 8.731 -3.939 4.946 19 HZ1 LYS 3 1HZ LYS 3 9.507 -2.435 3.510 20 HZ2 LYS 3 2HZ LYS 3 8.554 -1.318 4.350 21 HZ3 LYS 3 3HZ LYS 3 7.972 -2.027 2.928 22 H LYS 4 H LYS 4 1.735 -6.101 4.297 23 HA LYS 4 HA LYS 4 0.930 -3.682 5.698 24 HB2 LYS 4 2HB LYS 4 -1.416 -3.881 5.020 25 HB3 LYS 4 3HB LYS 4 -0.377 -3.588 3.631 26 HG2 LYS 4 2HG LYS 4 -0.451 -5.984 3.093 27 HG3 LYS 4 3HG LYS 4 -1.539 -6.241 4.458 28 HD2 LYS 4 2HD LYS 4 -3.317 -5.378 3.367 29 HD3 LYS 4 3HD LYS 4 -2.354 -4.131 2.571 30 HE2 LYS 4 2HE LYS 4 -1.628 -6.739 1.599 31 HE3 LYS 4 3HE LYS 4 -3.367 -6.492 1.449 32 HZ1 LYS 4 1HZ LYS 4 -2.381 -4.151 0.567 33 HZ2 LYS 4 2HZ LYS 4 -2.817 -5.445 -0.431 34 HZ3 LYS 4 3HZ LYS 4 -1.200 -5.233 0.021 35 HA PRO 5 HA PRO 5 0.411 -6.718 8.872 36 HB2 PRO 5 2HB PRO 5 -0.793 -5.110 10.698 37 HB3 PRO 5 3HB PRO 5 0.937 -5.033 10.343 38 HG2 PRO 5 2HG PRO 5 -1.282 -3.290 9.344 39 HG3 PRO 5 3HG PRO 5 0.334 -2.829 9.908 40 HD2 PRO 5 2HD PRO 5 -0.296 -3.007 7.281 41 HD3 PRO 5 3HD PRO 5 1.327 -3.373 7.900 42 H VAL 6 H VAL 6 -1.109 -8.222 9.177 43 HA VAL 6 HA VAL 6 -3.937 -7.456 8.868 44 HB VAL 6 HB VAL 6 -2.823 -10.110 7.974 45 HG11 VAL 6 1HG1 VAL 6 -5.452 -8.709 7.507 46 HG12 VAL 6 2HG1 VAL 6 -4.966 -10.220 6.735 47 HG13 VAL 6 3HG1 VAL 6 -5.177 -10.150 8.485 48 HG21 VAL 6 1HG2 VAL 6 -3.397 -7.673 6.291 49 HG22 VAL 6 2HG2 VAL 6 -1.805 -8.355 6.622 50 HG23 VAL 6 3HG2 VAL 6 -2.978 -9.272 5.676 51 HA PRO 7 HA PRO 7 -4.091 -9.262 12.943 52 HB2 PRO 7 2HB PRO 7 -6.744 -8.831 13.327 53 HB3 PRO 7 3HB PRO 7 -5.531 -7.554 13.478 54 HG2 PRO 7 2HG PRO 7 -7.342 -8.185 11.179 55 HG3 PRO 7 3HG PRO 7 -6.920 -6.607 11.870 56 HD2 PRO 7 2HD PRO 7 -5.771 -7.563 9.613 57 HD3 PRO 7 3HD PRO 7 -4.904 -6.518 10.756 58 H ILE 8 H ILE 8 -6.083 -10.139 10.202 59 HA ILE 8 HA ILE 8 -7.201 -12.480 11.431 60 HB ILE 8 HB ILE 8 -8.381 -12.815 9.493 61 HG12 ILE 8 2HG1 ILE 8 -5.855 -12.002 8.187 62 HG13 ILE 8 3HG1 ILE 8 -6.975 -13.294 7.770 63 HG21 ILE 8 1HG2 ILE 8 -9.191 -10.731 8.724 64 HG22 ILE 8 2HG2 ILE 8 -8.674 -10.472 10.390 65 HG23 ILE 8 3HG2 ILE 8 -7.656 -9.929 9.057 66 HD11 ILE 8 1HD1 ILE 8 -8.502 -11.576 6.831 67 HD12 ILE 8 2HD1 ILE 8 -7.244 -10.373 7.118 68 HD13 ILE 8 3HD1 ILE 8 -6.953 -11.704 5.998 69 H ILE 9 H ILE 9 -6.968 -14.576 9.931 70 HA ILE 9 HA ILE 9 -4.112 -15.021 9.394 71 HB ILE 9 HB ILE 9 -4.218 -17.224 10.449 72 HG12 ILE 9 2HG1 ILE 9 -6.194 -17.671 11.984 73 HG13 ILE 9 3HG1 ILE 9 -7.029 -16.368 11.146 74 HG21 ILE 9 1HG2 ILE 9 -3.377 -15.424 11.789 75 HG22 ILE 9 2HG2 ILE 9 -5.010 -14.923 12.225 76 HG23 ILE 9 3HG2 ILE 9 -4.372 -16.458 12.813 77 HD11 ILE 9 1HD1 ILE 9 -7.316 -18.885 10.438 78 HD12 ILE 9 2HD1 ILE 9 -7.307 -17.585 9.246 79 HD13 ILE 9 3HD1 ILE 9 -5.853 -18.546 9.514 80 H TYR 10 H TYR 10 -3.882 -17.335 8.370 81 HA TYR 10 HA TYR 10 -5.955 -17.558 6.287 82 HB2 TYR 10 2HB TYR 10 -3.473 -16.852 5.751 83 HB3 TYR 10 3HB TYR 10 -3.174 -18.583 5.871 84 HD1 TYR 10 HD1 TYR 10 -4.875 -15.949 3.962 85 HD2 TYR 10 HD2 TYR 10 -4.029 -20.112 4.207 86 HE1 TYR 10 HE1 TYR 10 -5.647 -16.236 1.645 87 HE2 TYR 10 HE2 TYR 10 -4.797 -20.410 1.890 88 HH TYR 10 HH TYR 10 -4.957 -18.752 -0.224 89 H CYS 11 H CYS 11 -6.634 -19.599 5.636 90 HA CYS 11 HA CYS 11 -5.607 -21.919 7.089 91 HB2 CYS 11 2HB CYS 11 -8.088 -20.624 7.694 92 HB3 CYS 11 3HB CYS 11 -8.430 -22.209 7.007 93 H ASN 12 H ASN 12 -4.880 -23.027 5.363 94 HA ASN 12 HA ASN 12 -6.379 -23.140 2.898 95 HB2 ASN 12 2HB ASN 12 -3.718 -23.319 3.465 96 HB3 ASN 12 3HB ASN 12 -4.135 -25.018 3.259 97 HD21 ASN 12 1HD2 ASN 12 -4.025 -25.774 1.279 98 HD22 ASN 12 2HD2 ASN 12 -4.119 -24.844 -0.174 99 H ARG 13 H ARG 13 -8.243 -24.268 3.112 100 HA ARG 13 HA ARG 13 -8.785 -26.434 4.716 101 HB2 ARG 13 2HB ARG 13 -9.873 -25.715 1.995 102 HB3 ARG 13 3HB ARG 13 -10.517 -27.038 2.958 103 HG2 ARG 13 2HG ARG 13 -11.375 -25.614 4.575 104 HG3 ARG 13 3HG ARG 13 -10.316 -24.283 4.103 105 HD2 ARG 13 2HD ARG 13 -11.792 -23.525 2.616 106 HD3 ARG 13 3HD ARG 13 -12.014 -25.128 1.918 107 HE ARG 13 HE ARG 13 -13.421 -25.220 4.245 108 HH11 ARG 13 1HH1 ARG 13 -13.421 -23.111 1.475 109 HH12 ARG 13 2HH1 ARG 13 -15.104 -22.721 1.609 110 HH21 ARG 13 1HH2 ARG 13 -15.637 -24.713 4.432 111 HH22 ARG 13 2HH2 ARG 13 -16.363 -23.632 3.292 112 H ARG 14 H ARG 14 -6.655 -27.535 4.582 113 HA ARG 14 HA ARG 14 -6.823 -29.730 2.668 114 HB2 ARG 14 2HB ARG 14 -4.302 -28.108 3.063 115 HB3 ARG 14 3HB ARG 14 -4.446 -29.564 2.088 116 HG2 ARG 14 2HG ARG 14 -5.862 -26.956 1.577 117 HG3 ARG 14 3HG ARG 14 -4.451 -27.562 0.707 118 HD2 ARG 14 2HD ARG 14 -6.565 -29.527 0.764 119 HD3 ARG 14 3HD ARG 14 -7.138 -28.001 0.092 120 HE ARG 14 HE ARG 14 -5.723 -28.285 -1.716 121 HH11 ARG 14 1HH1 ARG 14 -5.115 -30.715 0.702 122 HH12 ARG 14 2HH1 ARG 14 -4.130 -31.689 -0.338 123 HH21 ARG 14 1HH2 ARG 14 -4.428 -29.560 -3.095 124 HH22 ARG 14 2HH2 ARG 14 -3.739 -31.031 -2.497 125 H THR 15 H THR 15 -4.223 -30.755 3.346 126 HA THR 15 HA THR 15 -4.901 -32.147 5.738 127 HB THR 15 HB THR 15 -3.660 -33.352 4.092 128 HG1 THR 15 HG1 THR 15 -2.802 -34.239 5.814 129 HG21 THR 15 1HG2 THR 15 -2.162 -32.339 2.793 130 HG22 THR 15 2HG2 THR 15 -1.078 -32.186 4.176 131 HG23 THR 15 3HG2 THR 15 -2.230 -30.902 3.813 132 H GLY 16 H GLY 16 -5.094 -29.971 6.923 133 HA2 GLY 16 2HA GLY 16 -4.340 -28.708 8.689 134 HA3 GLY 16 3HA GLY 16 -2.968 -29.802 8.787 135 H LYS 17 H LYS 17 -4.113 -27.408 6.404 136 HA LYS 17 HA LYS 17 -1.400 -26.257 6.428 137 HB2 LYS 17 2HB LYS 17 -3.288 -26.875 4.227 138 HB3 LYS 17 3HB LYS 17 -2.387 -25.372 4.083 139 HG2 LYS 17 2HG LYS 17 -0.358 -26.967 4.685 140 HG3 LYS 17 3HG LYS 17 -1.436 -28.176 3.984 141 HD2 LYS 17 2HD LYS 17 -0.570 -27.534 2.018 142 HD3 LYS 17 3HD LYS 17 -1.619 -26.123 2.183 143 HE2 LYS 17 2HE LYS 17 0.127 -24.782 2.988 144 HE3 LYS 17 3HE LYS 17 1.142 -26.175 3.359 145 HZ1 LYS 17 1HZ LYS 17 1.148 -26.589 0.879 146 HZ2 LYS 17 2HZ LYS 17 2.030 -25.251 1.419 147 HZ3 LYS 17 3HZ LYS 17 0.512 -25.031 0.705 148 H CYS 18 H CYS 18 -2.110 -24.920 8.223 149 HA CYS 18 HA CYS 18 -3.863 -22.706 7.383 150 HB2 CYS 18 2HB CYS 18 -4.280 -24.284 9.515 151 HB3 CYS 18 3HB CYS 18 -3.227 -23.085 10.259 152 H GLN 19 H GLN 19 -3.295 -20.564 8.138 153 HA GLN 19 HA GLN 19 -0.430 -20.235 8.722 154 HB2 GLN 19 2HB GLN 19 -1.786 -18.197 7.030 155 HB3 GLN 19 3HB GLN 19 -0.104 -18.710 7.039 156 HG2 GLN 19 2HG GLN 19 -2.386 -20.336 5.942 157 HG3 GLN 19 3HG GLN 19 -1.315 -19.320 4.979 158 HE21 GLN 19 1HE2 GLN 19 -1.544 -21.950 4.381 159 HE22 GLN 19 2HE2 GLN 19 -0.093 -22.789 4.797 160 H ARG 20 H ARG 20 0.073 -17.996 9.530 161 HA ARG 20 HA ARG 20 -2.163 -16.728 10.926 162 HB2 ARG 20 2HB ARG 20 -0.816 -16.644 13.028 163 HB3 ARG 20 3HB ARG 20 -1.337 -18.262 12.576 164 HG2 ARG 20 2HG ARG 20 0.927 -18.608 11.561 165 HG3 ARG 20 3HG ARG 20 1.407 -17.070 12.282 166 HD2 ARG 20 2HD ARG 20 2.016 -18.333 14.035 167 HD3 ARG 20 3HD ARG 20 0.294 -18.334 14.413 168 HE ARG 20 HE ARG 20 0.190 -20.549 13.817 169 HH11 ARG 20 1HH1 ARG 20 3.221 -19.198 12.765 170 HH12 ARG 20 2HH1 ARG 20 3.903 -20.731 12.331 171 HH21 ARG 20 1HH2 ARG 20 1.077 -22.573 13.250 172 HH22 ARG 20 2HH2 ARG 20 2.682 -22.650 12.606 173 H PHE 21 H PHE 21 -2.095 -14.636 10.484 174 HA PHE 21 HA PHE 21 0.338 -13.412 9.510 175 HB2 PHE 21 2HB PHE 21 -2.337 -12.093 9.995 176 HB3 PHE 21 3HB PHE 21 -1.030 -11.509 8.971 177 HD1 PHE 21 HD1 PHE 21 -3.923 -11.921 8.160 178 HD2 PHE 21 HD2 PHE 21 -0.497 -14.433 7.902 179 HE1 PHE 21 HE1 PHE 21 -4.923 -13.081 6.234 180 HE2 PHE 21 HE2 PHE 21 -1.490 -15.596 5.975 181 HZ PHE 21 HZ PHE 21 -3.705 -14.920 5.137 Start of MODEL 14 1 H1 GLY 1 H GLY 1 0.557 -1.633 -0.588 2 HA2 GLY 1 2HA GLY 1 2.198 0.036 -2.360 3 HA3 GLY 1 3HA GLY 1 2.518 0.084 -0.633 4 H SER 2 H SER 2 3.612 -1.580 0.337 5 HA SER 2 HA SER 2 4.557 -3.721 -1.456 6 HB2 SER 2 2HB SER 2 6.061 -2.131 0.620 7 HB3 SER 2 3HB SER 2 6.650 -3.682 0.022 8 HG SER 2 HG SER 2 7.556 -2.140 -1.264 9 H LYS 3 H LYS 3 4.325 -2.902 2.009 10 HA LYS 3 HA LYS 3 3.291 -5.613 2.491 11 HB2 LYS 3 2HB LYS 3 4.596 -5.744 4.561 12 HB3 LYS 3 3HB LYS 3 5.643 -5.573 3.159 13 HG2 LYS 3 2HG LYS 3 6.029 -3.261 3.652 14 HG3 LYS 3 3HG LYS 3 4.835 -3.294 4.951 15 HD2 LYS 3 2HD LYS 3 6.215 -4.455 6.373 16 HD3 LYS 3 3HD LYS 3 7.114 -5.211 5.055 17 HE2 LYS 3 2HE LYS 3 7.283 -2.257 5.462 18 HE3 LYS 3 3HE LYS 3 8.216 -3.333 6.500 19 HZ1 LYS 3 1HZ LYS 3 8.453 -2.894 3.599 20 HZ2 LYS 3 2HZ LYS 3 8.961 -4.361 4.270 21 HZ3 LYS 3 3HZ LYS 3 9.665 -2.909 4.780 22 H LYS 4 H LYS 4 1.832 -5.822 4.215 23 HA LYS 4 HA LYS 4 1.038 -3.432 5.671 24 HB2 LYS 4 2HB LYS 4 -1.290 -3.561 5.006 25 HB3 LYS 4 3HB LYS 4 -0.281 -3.360 3.580 26 HG2 LYS 4 2HG LYS 4 -0.449 -5.783 3.156 27 HG3 LYS 4 3HG LYS 4 -1.532 -5.925 4.543 28 HD2 LYS 4 2HD LYS 4 -3.244 -4.773 3.485 29 HD3 LYS 4 3HD LYS 4 -2.147 -3.982 2.352 30 HE2 LYS 4 2HE LYS 4 -1.920 -5.918 1.050 31 HE3 LYS 4 3HE LYS 4 -2.567 -6.954 2.321 32 HZ1 LYS 4 1HZ LYS 4 -4.697 -6.409 1.813 33 HZ2 LYS 4 2HZ LYS 4 -4.018 -6.211 0.276 34 HZ3 LYS 4 3HZ LYS 4 -4.307 -4.860 1.253 35 HA PRO 5 HA PRO 5 0.573 -6.528 8.795 36 HB2 PRO 5 2HB PRO 5 -0.611 -4.959 10.667 37 HB3 PRO 5 3HB PRO 5 1.113 -4.869 10.289 38 HG2 PRO 5 2HG PRO 5 -1.125 -3.115 9.354 39 HG3 PRO 5 3HG PRO 5 0.498 -2.660 9.904 40 HD2 PRO 5 2HD PRO 5 -0.168 -2.791 7.283 41 HD3 PRO 5 3HD PRO 5 1.465 -3.163 7.873 42 H VAL 6 H VAL 6 -0.937 -8.043 9.091 43 HA VAL 6 HA VAL 6 -3.772 -7.282 8.833 44 HB VAL 6 HB VAL 6 -2.662 -9.918 7.882 45 HG11 VAL 6 1HG1 VAL 6 -5.300 -8.516 7.473 46 HG12 VAL 6 2HG1 VAL 6 -4.820 -10.010 6.665 47 HG13 VAL 6 3HG1 VAL 6 -5.009 -9.976 8.419 48 HG21 VAL 6 1HG2 VAL 6 -1.666 -8.135 6.550 49 HG22 VAL 6 2HG2 VAL 6 -2.841 -9.046 5.601 50 HG23 VAL 6 3HG2 VAL 6 -3.265 -7.459 6.241 51 HA PRO 7 HA PRO 7 -3.870 -9.154 12.879 52 HB2 PRO 7 2HB PRO 7 -6.519 -8.740 13.303 53 HB3 PRO 7 3HB PRO 7 -5.310 -7.461 13.460 54 HG2 PRO 7 2HG PRO 7 -7.146 -8.062 11.173 55 HG3 PRO 7 3HG PRO 7 -6.721 -6.494 11.885 56 HD2 PRO 7 2HD PRO 7 -5.597 -7.409 9.598 57 HD3 PRO 7 3HD PRO 7 -4.720 -6.379 10.747 58 H ILE 8 H ILE 8 -5.889 -9.995 10.148 59 HA ILE 8 HA ILE 8 -6.984 -12.361 11.353 60 HB ILE 8 HB ILE 8 -8.187 -12.668 9.426 61 HG12 ILE 8 2HG1 ILE 8 -5.681 -11.825 8.101 62 HG13 ILE 8 3HG1 ILE 8 -6.801 -13.116 7.678 63 HG21 ILE 8 1HG2 ILE 8 -8.481 -10.343 10.363 64 HG22 ILE 8 2HG2 ILE 8 -7.475 -9.774 9.032 65 HG23 ILE 8 3HG2 ILE 8 -9.010 -10.573 8.697 66 HD11 ILE 8 1HD1 ILE 8 -6.808 -11.497 5.931 67 HD12 ILE 8 2HD1 ILE 8 -8.347 -11.388 6.787 68 HD13 ILE 8 3HD1 ILE 8 -7.089 -10.186 7.076 69 H ILE 9 H ILE 9 -6.761 -14.431 9.817 70 HA ILE 9 HA ILE 9 -3.911 -14.855 9.236 71 HB ILE 9 HB ILE 9 -3.994 -17.075 10.258 72 HG12 ILE 9 2HG1 ILE 9 -5.948 -17.554 11.812 73 HG13 ILE 9 3HG1 ILE 9 -6.799 -16.242 11.004 74 HG21 ILE 9 1HG2 ILE 9 -4.774 -14.809 12.083 75 HG22 ILE 9 2HG2 ILE 9 -4.117 -16.349 12.634 76 HG23 ILE 9 3HG2 ILE 9 -3.144 -15.290 11.614 77 HD11 ILE 9 1HD1 ILE 9 -5.636 -18.390 9.324 78 HD12 ILE 9 2HD1 ILE 9 -7.087 -18.747 10.262 79 HD13 ILE 9 3HD1 ILE 9 -7.097 -17.430 9.090 80 H TYR 10 H TYR 10 -3.685 -17.153 8.174 81 HA TYR 10 HA TYR 10 -5.783 -17.352 6.115 82 HB2 TYR 10 2HB TYR 10 -3.313 -16.626 5.556 83 HB3 TYR 10 3HB TYR 10 -3.004 -18.356 5.648 84 HD1 TYR 10 HD1 TYR 10 -3.878 -19.867 3.975 85 HD2 TYR 10 HD2 TYR 10 -4.733 -15.703 3.795 86 HE1 TYR 10 HE1 TYR 10 -4.676 -20.137 1.664 87 HE2 TYR 10 HE2 TYR 10 -5.533 -15.961 1.484 88 HH TYR 10 HH TYR 10 -5.059 -17.678 -0.446 89 H CYS 11 H CYS 11 -6.464 -19.384 5.441 90 HA CYS 11 HA CYS 11 -5.409 -21.722 6.843 91 HB2 CYS 11 2HB CYS 11 -7.885 -20.448 7.503 92 HB3 CYS 11 3HB CYS 11 -8.232 -22.020 6.792 93 H ASN 12 H ASN 12 -4.699 -22.801 5.092 94 HA ASN 12 HA ASN 12 -6.229 -22.881 2.644 95 HB2 ASN 12 2HB ASN 12 -3.561 -23.058 3.174 96 HB3 ASN 12 3HB ASN 12 -3.973 -24.756 2.949 97 HD21 ASN 12 1HD2 ASN 12 -3.882 -25.483 0.958 98 HD22 ASN 12 2HD2 ASN 12 -3.999 -24.533 -0.481 99 H ARG 13 H ARG 13 -8.086 -24.021 2.864 100 HA ARG 13 HA ARG 13 -8.599 -26.214 4.440 101 HB2 ARG 13 2HB ARG 13 -9.723 -25.546 1.715 102 HB3 ARG 13 3HB ARG 13 -10.388 -26.777 2.780 103 HG2 ARG 13 2HG ARG 13 -10.071 -23.943 3.694 104 HG3 ARG 13 3HG ARG 13 -11.479 -24.461 2.764 105 HD2 ARG 13 2HD ARG 13 -11.988 -26.146 4.448 106 HD3 ARG 13 3HD ARG 13 -10.555 -25.680 5.364 107 HE ARG 13 HE ARG 13 -12.331 -23.485 4.918 108 HH11 ARG 13 1HH1 ARG 13 -11.733 -26.269 6.922 109 HH12 ARG 13 2HH1 ARG 13 -12.584 -25.631 8.289 110 HH21 ARG 13 1HH2 ARG 13 -13.455 -22.634 6.712 111 HH22 ARG 13 2HH2 ARG 13 -13.564 -23.563 8.168 112 H ARG 14 H ARG 14 -6.467 -27.303 4.262 113 HA ARG 14 HA ARG 14 -6.651 -29.469 2.317 114 HB2 ARG 14 2HB ARG 14 -4.131 -27.842 2.707 115 HB3 ARG 14 3HB ARG 14 -4.281 -29.285 1.712 116 HG2 ARG 14 2HG ARG 14 -5.712 -26.675 1.257 117 HG3 ARG 14 3HG ARG 14 -4.310 -27.263 0.361 118 HD2 ARG 14 2HD ARG 14 -6.412 -29.238 0.413 119 HD3 ARG 14 3HD ARG 14 -7.004 -27.704 -0.226 120 HE ARG 14 HE ARG 14 -5.613 -27.949 -2.058 121 HH11 ARG 14 1HH1 ARG 14 -4.954 -30.414 0.310 122 HH12 ARG 14 2HH1 ARG 14 -3.977 -31.364 -0.760 123 HH21 ARG 14 1HH2 ARG 14 -4.329 -29.191 -3.476 124 HH22 ARG 14 2HH2 ARG 14 -3.622 -30.667 -2.913 125 H THR 15 H THR 15 -4.041 -30.496 2.947 126 HA THR 15 HA THR 15 -4.685 -31.927 5.325 127 HB THR 15 HB THR 15 -3.463 -33.103 3.644 128 HG1 THR 15 HG1 THR 15 -1.555 -32.564 5.682 129 HG21 THR 15 1HG2 THR 15 -1.981 -32.066 2.344 130 HG22 THR 15 2HG2 THR 15 -0.881 -31.932 3.717 131 HG23 THR 15 3HG2 THR 15 -2.041 -30.646 3.387 132 H GLY 16 H GLY 16 -4.867 -29.769 6.546 133 HA2 GLY 16 2HA GLY 16 -4.094 -28.533 8.322 134 HA3 GLY 16 3HA GLY 16 -2.717 -29.624 8.384 135 H LYS 17 H LYS 17 -3.903 -27.195 6.056 136 HA LYS 17 HA LYS 17 -1.194 -26.034 6.062 137 HB2 LYS 17 2HB LYS 17 -3.107 -26.628 3.876 138 HB3 LYS 17 3HB LYS 17 -2.216 -25.117 3.744 139 HG2 LYS 17 2HG LYS 17 -0.383 -26.175 3.087 140 HG3 LYS 17 3HG LYS 17 -0.455 -27.280 4.461 141 HD2 LYS 17 2HD LYS 17 -2.090 -28.657 3.242 142 HD3 LYS 17 3HD LYS 17 -1.962 -27.565 1.861 143 HE2 LYS 17 2HE LYS 17 0.445 -28.092 1.712 144 HE3 LYS 17 3HE LYS 17 0.257 -29.234 3.041 145 HZ1 LYS 17 1HZ LYS 17 -0.346 -29.564 0.269 146 HZ2 LYS 17 2HZ LYS 17 -1.668 -29.959 1.247 147 HZ3 LYS 17 3HZ LYS 17 -0.182 -30.734 1.480 148 H CYS 18 H CYS 18 -1.886 -24.727 7.886 149 HA CYS 18 HA CYS 18 -3.658 -22.508 7.102 150 HB2 CYS 18 2HB CYS 18 -4.046 -24.120 9.213 151 HB3 CYS 18 3HB CYS 18 -2.985 -22.932 9.964 152 H GLN 19 H GLN 19 -3.089 -20.375 7.884 153 HA GLN 19 HA GLN 19 -0.219 -20.044 8.438 154 HB2 GLN 19 2HB GLN 19 -1.603 -17.985 6.795 155 HB3 GLN 19 3HB GLN 19 0.081 -18.492 6.775 156 HG2 GLN 19 2HG GLN 19 -2.210 -20.108 5.680 157 HG3 GLN 19 3HG GLN 19 -1.152 -19.075 4.720 158 HE21 GLN 19 1HE2 GLN 19 -1.542 -21.869 4.377 159 HE22 GLN 19 2HE2 GLN 19 -0.023 -22.644 4.650 160 H ARG 20 H ARG 20 0.285 -17.816 9.274 161 HA ARG 20 HA ARG 20 -1.938 -16.579 10.716 162 HB2 ARG 20 2HB ARG 20 0.518 -17.780 11.971 163 HB3 ARG 20 3HB ARG 20 -0.364 -16.478 12.757 164 HG2 ARG 20 2HG ARG 20 -2.277 -17.795 13.046 165 HG3 ARG 20 3HG ARG 20 -1.728 -18.998 11.878 166 HD2 ARG 20 2HD ARG 20 0.029 -18.532 14.205 167 HD3 ARG 20 3HD ARG 20 -1.520 -19.303 14.541 168 HE ARG 20 HE ARG 20 0.733 -20.489 13.279 169 HH11 ARG 20 1HH1 ARG 20 -2.748 -20.460 13.289 170 HH12 ARG 20 2HH1 ARG 20 -2.894 -22.081 12.694 171 HH21 ARG 20 1HH2 ARG 20 0.555 -22.624 12.496 172 HH22 ARG 20 2HH2 ARG 20 -1.014 -23.311 12.245 173 H PHE 21 H PHE 21 -1.883 -14.479 10.309 174 HA PHE 21 HA PHE 21 0.533 -13.231 9.324 175 HB2 PHE 21 2HB PHE 21 -2.139 -11.930 9.864 176 HB3 PHE 21 3HB PHE 21 -0.848 -11.325 8.831 177 HD1 PHE 21 HD1 PHE 21 -0.320 -14.232 7.712 178 HD2 PHE 21 HD2 PHE 21 -3.749 -11.733 8.049 179 HE1 PHE 21 HE1 PHE 21 -1.333 -15.369 5.780 180 HE2 PHE 21 HE2 PHE 21 -4.768 -12.867 6.118 181 HZ PHE 21 HZ PHE 21 -3.561 -14.687 4.981 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.403 -1.883 -3.085 2 HA2 GLY 1 2HA GLY 1 1.697 -0.591 -1.456 3 HA3 GLY 1 3HA GLY 1 0.409 -1.542 -0.730 4 H SER 2 H SER 2 2.936 -2.225 -0.124 5 HA SER 2 HA SER 2 3.419 -4.642 -1.741 6 HB2 SER 2 2HB SER 2 5.193 -2.561 -1.268 7 HB3 SER 2 3HB SER 2 5.678 -3.790 -0.101 8 HG SER 2 HG SER 2 6.616 -3.889 -2.308 9 H LYS 3 H LYS 3 3.730 -3.274 1.527 10 HA LYS 3 HA LYS 3 3.114 -5.942 2.605 11 HB2 LYS 3 2HB LYS 3 5.047 -3.995 3.869 12 HB3 LYS 3 3HB LYS 3 4.694 -5.635 4.397 13 HG2 LYS 3 2HG LYS 3 5.518 -5.920 1.762 14 HG3 LYS 3 3HG LYS 3 6.593 -4.694 2.438 15 HD2 LYS 3 2HD LYS 3 6.072 -7.083 4.108 16 HD3 LYS 3 3HD LYS 3 7.053 -7.323 2.660 17 HE2 LYS 3 2HE LYS 3 8.765 -6.028 3.441 18 HE3 LYS 3 3HE LYS 3 7.699 -5.012 4.410 19 HZ1 LYS 3 1HZ LYS 3 7.522 -6.719 6.044 20 HZ2 LYS 3 2HZ LYS 3 9.167 -6.486 5.727 21 HZ3 LYS 3 3HZ LYS 3 8.363 -7.826 5.079 22 H LYS 4 H LYS 4 1.619 -6.009 4.195 23 HA LYS 4 HA LYS 4 0.876 -3.580 5.613 24 HB2 LYS 4 2HB LYS 4 -1.105 -5.142 3.946 25 HB3 LYS 4 3HB LYS 4 -1.520 -3.848 5.062 26 HG2 LYS 4 2HG LYS 4 -0.221 -2.273 3.713 27 HG3 LYS 4 3HG LYS 4 0.176 -3.573 2.587 28 HD2 LYS 4 2HD LYS 4 -1.659 -2.959 1.467 29 HD3 LYS 4 3HD LYS 4 -2.571 -3.717 2.774 30 HE2 LYS 4 2HE LYS 4 -3.159 -1.727 3.699 31 HE3 LYS 4 3HE LYS 4 -1.659 -0.936 3.217 32 HZ1 LYS 4 1HZ LYS 4 -3.334 0.043 1.931 33 HZ2 LYS 4 2HZ LYS 4 -4.067 -1.438 1.573 34 HZ3 LYS 4 3HZ LYS 4 -2.575 -1.043 0.880 35 HA PRO 5 HA PRO 5 0.519 -6.589 8.834 36 HB2 PRO 5 2HB PRO 5 -0.599 -4.968 10.703 37 HB3 PRO 5 3HB PRO 5 1.111 -4.890 10.264 38 HG2 PRO 5 2HG PRO 5 -1.158 -3.160 9.358 39 HG3 PRO 5 3HG PRO 5 0.484 -2.692 9.839 40 HD2 PRO 5 2HD PRO 5 -0.272 -2.894 7.247 41 HD3 PRO 5 3HD PRO 5 1.380 -3.251 7.791 42 H VAL 6 H VAL 6 -0.981 -8.093 9.225 43 HA VAL 6 HA VAL 6 -3.822 -7.335 9.048 44 HB VAL 6 HB VAL 6 -2.747 -9.994 8.119 45 HG11 VAL 6 1HG1 VAL 6 -5.399 -8.602 7.773 46 HG12 VAL 6 2HG1 VAL 6 -4.948 -10.117 6.988 47 HG13 VAL 6 3HG1 VAL 6 -5.073 -10.037 8.745 48 HG21 VAL 6 1HG2 VAL 6 -3.009 -9.177 5.828 49 HG22 VAL 6 2HG2 VAL 6 -3.417 -7.575 6.443 50 HG23 VAL 6 3HG2 VAL 6 -1.805 -8.237 6.710 51 HA PRO 7 HA PRO 7 -3.773 -9.113 13.138 52 HB2 PRO 7 2HB PRO 7 -6.405 -8.685 13.649 53 HB3 PRO 7 3HB PRO 7 -5.189 -7.404 13.731 54 HG2 PRO 7 2HG PRO 7 -7.109 -8.055 11.528 55 HG3 PRO 7 3HG PRO 7 -6.657 -6.472 12.187 56 HD2 PRO 7 2HD PRO 7 -5.618 -7.442 9.882 57 HD3 PRO 7 3HD PRO 7 -4.698 -6.387 10.975 58 H ILE 8 H ILE 8 -5.893 -10.013 10.504 59 HA ILE 8 HA ILE 8 -6.944 -12.349 11.803 60 HB ILE 8 HB ILE 8 -8.218 -12.699 9.929 61 HG12 ILE 8 2HG1 ILE 8 -5.761 -11.893 8.494 62 HG13 ILE 8 3HG1 ILE 8 -6.897 -13.190 8.142 63 HG21 ILE 8 1HG2 ILE 8 -8.466 -10.348 10.823 64 HG22 ILE 8 2HG2 ILE 8 -7.521 -9.817 9.433 65 HG23 ILE 8 3HG2 ILE 8 -9.070 -10.623 9.189 66 HD11 ILE 8 1HD1 ILE 8 -6.966 -11.611 6.359 67 HD12 ILE 8 2HD1 ILE 8 -8.472 -11.478 7.268 68 HD13 ILE 8 3HD1 ILE 8 -7.202 -10.273 7.484 69 H ILE 9 H ILE 9 -6.779 -14.454 10.307 70 HA ILE 9 HA ILE 9 -3.952 -14.896 9.633 71 HB ILE 9 HB ILE 9 -4.000 -17.092 10.708 72 HG12 ILE 9 2HG1 ILE 9 -5.898 -17.534 12.340 73 HG13 ILE 9 3HG1 ILE 9 -6.777 -16.239 11.534 74 HG21 ILE 9 1HG2 ILE 9 -4.038 -16.313 13.070 75 HG22 ILE 9 2HG2 ILE 9 -3.101 -15.279 11.992 76 HG23 ILE 9 3HG2 ILE 9 -4.713 -14.784 12.508 77 HD11 ILE 9 1HD1 ILE 9 -5.675 -18.425 9.862 78 HD12 ILE 9 2HD1 ILE 9 -7.091 -18.761 10.859 79 HD13 ILE 9 3HD1 ILE 9 -7.143 -17.470 9.659 80 H TYR 10 H TYR 10 -3.767 -17.217 8.616 81 HA TYR 10 HA TYR 10 -5.937 -17.458 6.638 82 HB2 TYR 10 2HB TYR 10 -3.485 -16.754 5.978 83 HB3 TYR 10 3HB TYR 10 -3.180 -18.483 6.095 84 HD1 TYR 10 HD1 TYR 10 -4.982 -15.864 4.257 85 HD2 TYR 10 HD2 TYR 10 -4.104 -20.021 4.479 86 HE1 TYR 10 HE1 TYR 10 -5.865 -16.166 1.982 87 HE2 TYR 10 HE2 TYR 10 -4.983 -20.334 2.204 88 HH TYR 10 HH TYR 10 -5.676 -17.718 0.124 89 H CYS 11 H CYS 11 -6.643 -19.505 6.032 90 HA CYS 11 HA CYS 11 -5.544 -21.813 7.449 91 HB2 CYS 11 2HB CYS 11 -7.993 -20.517 8.169 92 HB3 CYS 11 3HB CYS 11 -8.367 -22.106 7.510 93 H ASN 12 H ASN 12 -4.900 -22.930 5.696 94 HA ASN 12 HA ASN 12 -6.522 -23.063 3.310 95 HB2 ASN 12 2HB ASN 12 -3.834 -23.238 3.750 96 HB3 ASN 12 3HB ASN 12 -4.262 -24.936 3.561 97 HD21 ASN 12 1HD2 ASN 12 -4.222 -25.683 1.576 98 HD22 ASN 12 2HD2 ASN 12 -4.396 -24.751 0.132 99 H ARG 13 H ARG 13 -8.369 -24.197 3.620 100 HA ARG 13 HA ARG 13 -8.821 -26.354 5.264 101 HB2 ARG 13 2HB ARG 13 -10.635 -26.975 3.585 102 HB3 ARG 13 3HB ARG 13 -10.700 -25.350 4.253 103 HG2 ARG 13 2HG ARG 13 -10.808 -24.587 2.178 104 HG3 ARG 13 3HG ARG 13 -9.140 -25.121 1.957 105 HD2 ARG 13 2HD ARG 13 -9.944 -26.429 0.334 106 HD3 ARG 13 3HD ARG 13 -10.570 -27.442 1.634 107 HE ARG 13 HE ARG 13 -12.367 -25.334 0.958 108 HH11 ARG 13 1HH1 ARG 13 -11.255 -28.488 -0.006 109 HH12 ARG 13 2HH1 ARG 13 -12.730 -28.905 -0.814 110 HH21 ARG 13 1HH2 ARG 13 -14.314 -25.870 -0.102 111 HH22 ARG 13 2HH2 ARG 13 -14.469 -27.414 -0.869 112 H ARG 14 H ARG 14 -6.699 -27.451 5.028 113 HA ARG 14 HA ARG 14 -6.960 -29.658 3.139 114 HB2 ARG 14 2HB ARG 14 -4.415 -28.045 3.396 115 HB3 ARG 14 3HB ARG 14 -4.631 -29.489 2.416 116 HG2 ARG 14 2HG ARG 14 -6.058 -26.867 2.017 117 HG3 ARG 14 3HG ARG 14 -4.696 -27.461 1.065 118 HD2 ARG 14 2HD ARG 14 -6.837 -29.407 1.223 119 HD3 ARG 14 3HD ARG 14 -7.393 -27.874 0.552 120 HE ARG 14 HE ARG 14 -5.688 -29.777 -0.711 121 HH11 ARG 14 1HH1 ARG 14 -6.390 -26.376 -0.465 122 HH12 ARG 14 2HH1 ARG 14 -5.780 -26.002 -2.043 123 HH21 ARG 14 1HH2 ARG 14 -4.882 -29.298 -2.791 124 HH22 ARG 14 2HH2 ARG 14 -4.923 -27.665 -3.365 125 H THR 15 H THR 15 -4.320 -30.666 3.687 126 HA THR 15 HA THR 15 -4.868 -32.049 6.117 127 HB THR 15 HB THR 15 -3.705 -33.256 4.416 128 HG1 THR 15 HG1 THR 15 -3.026 -33.729 6.556 129 HG21 THR 15 1HG2 THR 15 -2.280 -32.240 3.039 130 HG22 THR 15 2HG2 THR 15 -1.128 -32.075 4.364 131 HG23 THR 15 3HG2 THR 15 -2.305 -30.799 4.054 132 H GLY 16 H GLY 16 -5.013 -29.868 7.300 133 HA2 GLY 16 2HA GLY 16 -4.178 -28.590 9.018 134 HA3 GLY 16 3HA GLY 16 -2.799 -29.678 9.054 135 H LYS 17 H LYS 17 -4.070 -27.303 6.717 136 HA LYS 17 HA LYS 17 -1.363 -26.143 6.598 137 HB2 LYS 17 2HB LYS 17 -3.357 -26.781 4.500 138 HB3 LYS 17 3HB LYS 17 -2.475 -25.272 4.303 139 HG2 LYS 17 2HG LYS 17 -0.408 -26.853 4.809 140 HG3 LYS 17 3HG LYS 17 -1.511 -28.071 4.166 141 HD2 LYS 17 2HD LYS 17 -0.635 -27.416 2.188 142 HD3 LYS 17 3HD LYS 17 -1.834 -26.128 2.328 143 HE2 LYS 17 2HE LYS 17 -0.269 -24.546 2.870 144 HE3 LYS 17 3HE LYS 17 0.829 -25.722 3.590 145 HZ1 LYS 17 1HZ LYS 17 1.329 -24.624 1.277 146 HZ2 LYS 17 2HZ LYS 17 0.344 -25.875 0.707 147 HZ3 LYS 17 3HZ LYS 17 1.744 -26.235 1.587 148 H CYS 18 H CYS 18 -1.985 -24.799 8.421 149 HA CYS 18 HA CYS 18 -3.784 -22.593 7.659 150 HB2 CYS 18 2HB CYS 18 -4.093 -24.163 9.815 151 HB3 CYS 18 3HB CYS 18 -3.006 -22.961 10.503 152 H GLN 19 H GLN 19 -3.185 -20.447 8.372 153 HA GLN 19 HA GLN 19 -0.297 -20.108 8.818 154 HB2 GLN 19 2HB GLN 19 -1.735 -18.084 7.179 155 HB3 GLN 19 3HB GLN 19 -0.054 -18.595 7.111 156 HG2 GLN 19 2HG GLN 19 -2.381 -20.232 6.135 157 HG3 GLN 19 3HG GLN 19 -1.361 -19.219 5.115 158 HE21 GLN 19 1HE2 GLN 19 1.113 -19.690 5.809 159 HE22 GLN 19 2HE2 GLN 19 1.530 -21.360 5.670 160 H ARG 20 H ARG 20 0.239 -17.863 9.588 161 HA ARG 20 HA ARG 20 -1.932 -16.591 11.078 162 HB2 ARG 20 2HB ARG 20 -0.455 -16.481 13.106 163 HB3 ARG 20 3HB ARG 20 -1.048 -18.089 12.714 164 HG2 ARG 20 2HG ARG 20 1.402 -17.805 11.372 165 HG3 ARG 20 3HG ARG 20 1.643 -17.171 13.001 166 HD2 ARG 20 2HD ARG 20 2.085 -19.391 13.353 167 HD3 ARG 20 3HD ARG 20 0.355 -19.354 13.691 168 HE ARG 20 HE ARG 20 0.654 -19.902 10.984 169 HH11 ARG 20 1HH1 ARG 20 1.438 -21.377 14.038 170 HH12 ARG 20 2HH1 ARG 20 1.338 -22.996 13.431 171 HH21 ARG 20 1HH2 ARG 20 0.519 -22.030 10.172 172 HH22 ARG 20 2HH2 ARG 20 0.815 -23.366 11.231 173 H PHE 21 H PHE 21 -1.889 -14.501 10.622 174 HA PHE 21 HA PHE 21 0.493 -13.279 9.526 175 HB2 PHE 21 2HB PHE 21 -2.157 -11.960 10.129 176 HB3 PHE 21 3HB PHE 21 -0.902 -11.383 9.038 177 HD1 PHE 21 HD1 PHE 21 -3.832 -11.806 8.374 178 HD2 PHE 21 HD2 PHE 21 -0.416 -14.312 7.964 179 HE1 PHE 21 HE1 PHE 21 -4.922 -12.981 6.507 180 HE2 PHE 21 HE2 PHE 21 -1.500 -15.490 6.096 181 HZ PHE 21 HZ PHE 21 -3.755 -14.824 5.364 Start of MODEL 16 1 H1 GLY 1 H GLY 1 0.807 -0.619 0.746 2 HA2 GLY 1 2HA GLY 1 0.529 -0.865 -1.609 3 HA3 GLY 1 3HA GLY 1 1.970 0.113 -1.850 4 H SER 2 H SER 2 3.468 -1.398 0.201 5 HA SER 2 HA SER 2 4.124 -3.706 -1.487 6 HB2 SER 2 2HB SER 2 5.694 -2.043 0.456 7 HB3 SER 2 3HB SER 2 6.228 -3.678 0.068 8 HG SER 2 HG SER 2 6.385 -3.085 -2.086 9 H LYS 3 H LYS 3 4.004 -2.895 1.986 10 HA LYS 3 HA LYS 3 2.955 -5.597 2.489 11 HB2 LYS 3 2HB LYS 3 4.289 -5.680 4.571 12 HB3 LYS 3 3HB LYS 3 5.292 -5.620 3.128 13 HG2 LYS 3 2HG LYS 3 5.333 -3.066 3.568 14 HG3 LYS 3 3HG LYS 3 4.831 -3.518 5.198 15 HD2 LYS 3 2HD LYS 3 7.201 -3.379 5.226 16 HD3 LYS 3 3HD LYS 3 6.794 -5.097 5.245 17 HE2 LYS 3 2HE LYS 3 7.764 -5.462 3.257 18 HE3 LYS 3 3HE LYS 3 7.092 -3.990 2.557 19 HZ1 LYS 3 1HZ LYS 3 8.841 -2.776 3.881 20 HZ2 LYS 3 2HZ LYS 3 9.405 -3.697 2.580 21 HZ3 LYS 3 3HZ LYS 3 9.563 -4.280 4.160 22 H LYS 4 H LYS 4 1.558 -5.800 4.279 23 HA LYS 4 HA LYS 4 0.783 -3.392 5.714 24 HB2 LYS 4 2HB LYS 4 -1.558 -3.546 5.119 25 HB3 LYS 4 3HB LYS 4 -0.596 -3.380 3.656 26 HG2 LYS 4 2HG LYS 4 -0.718 -5.934 3.515 27 HG3 LYS 4 3HG LYS 4 -2.018 -5.800 4.701 28 HD2 LYS 4 2HD LYS 4 -3.444 -5.327 3.063 29 HD3 LYS 4 3HD LYS 4 -2.509 -3.881 2.676 30 HE2 LYS 4 2HE LYS 4 -1.461 -6.465 1.683 31 HE3 LYS 4 3HE LYS 4 -2.932 -5.859 0.925 32 HZ1 LYS 4 1HZ LYS 4 -1.690 -4.498 -0.273 33 HZ2 LYS 4 2HZ LYS 4 -0.284 -5.038 0.495 34 HZ3 LYS 4 3HZ LYS 4 -1.145 -3.729 1.132 35 HA PRO 5 HA PRO 5 0.441 -6.434 8.906 36 HB2 PRO 5 2HB PRO 5 -0.703 -4.842 10.784 37 HB3 PRO 5 3HB PRO 5 1.008 -4.743 10.354 38 HG2 PRO 5 2HG PRO 5 -1.274 -3.028 9.453 39 HG3 PRO 5 3HG PRO 5 0.359 -2.547 9.947 40 HD2 PRO 5 2HD PRO 5 -0.382 -2.733 7.349 41 HD3 PRO 5 3HD PRO 5 1.271 -3.078 7.897 42 H VAL 6 H VAL 6 -1.044 -7.958 9.274 43 HA VAL 6 HA VAL 6 -3.892 -7.229 9.089 44 HB VAL 6 HB VAL 6 -2.783 -9.869 8.146 45 HG11 VAL 6 1HG1 VAL 6 -5.450 -8.504 7.804 46 HG12 VAL 6 2HG1 VAL 6 -4.978 -10.001 6.997 47 HG13 VAL 6 3HG1 VAL 6 -5.109 -9.949 8.755 48 HG21 VAL 6 1HG2 VAL 6 -3.033 -9.040 5.861 49 HG22 VAL 6 2HG2 VAL 6 -3.477 -7.449 6.480 50 HG23 VAL 6 3HG2 VAL 6 -1.855 -8.083 6.758 51 HA PRO 7 HA PRO 7 -3.849 -9.037 13.166 52 HB2 PRO 7 2HB PRO 7 -6.488 -8.644 13.662 53 HB3 PRO 7 3HB PRO 7 -5.289 -7.350 13.762 54 HG2 PRO 7 2HG PRO 7 -7.187 -8.007 11.542 55 HG3 PRO 7 3HG PRO 7 -6.758 -6.424 12.215 56 HD2 PRO 7 2HD PRO 7 -5.693 -7.364 9.910 57 HD3 PRO 7 3HD PRO 7 -4.793 -6.306 11.016 58 H ILE 8 H ILE 8 -5.939 -9.944 10.510 59 HA ILE 8 HA ILE 8 -6.970 -12.302 11.785 60 HB ILE 8 HB ILE 8 -8.230 -12.652 9.903 61 HG12 ILE 8 2HG1 ILE 8 -5.775 -11.808 8.486 62 HG13 ILE 8 3HG1 ILE 8 -6.895 -13.115 8.119 63 HG21 ILE 8 1HG2 ILE 8 -8.501 -10.305 10.813 64 HG22 ILE 8 2HG2 ILE 8 -7.566 -9.760 9.421 65 HG23 ILE 8 3HG2 ILE 8 -9.107 -10.583 9.181 66 HD11 ILE 8 1HD1 ILE 8 -6.972 -11.524 6.347 67 HD12 ILE 8 2HD1 ILE 8 -8.484 -11.414 7.249 68 HD13 ILE 8 3HD1 ILE 8 -7.229 -10.197 7.480 69 H ILE 9 H ILE 9 -6.771 -14.394 10.275 70 HA ILE 9 HA ILE 9 -3.936 -14.795 9.612 71 HB ILE 9 HB ILE 9 -3.962 -17.000 10.670 72 HG12 ILE 9 2HG1 ILE 9 -5.861 -17.477 12.291 73 HG13 ILE 9 3HG1 ILE 9 -6.751 -16.186 11.491 74 HG21 ILE 9 1HG2 ILE 9 -4.709 -14.711 12.482 75 HG22 ILE 9 2HG2 ILE 9 -4.023 -16.237 13.038 76 HG23 ILE 9 3HG2 ILE 9 -3.089 -15.187 11.972 77 HD11 ILE 9 1HD1 ILE 9 -7.032 -18.708 10.796 78 HD12 ILE 9 2HD1 ILE 9 -7.095 -17.408 9.605 79 HD13 ILE 9 3HD1 ILE 9 -5.616 -18.347 9.808 80 H TYR 10 H TYR 10 -3.717 -17.107 8.578 81 HA TYR 10 HA TYR 10 -5.877 -17.361 6.589 82 HB2 TYR 10 2HB TYR 10 -3.433 -16.617 5.942 83 HB3 TYR 10 3HB TYR 10 -3.102 -18.343 6.050 84 HD1 TYR 10 HD1 TYR 10 -4.011 -19.889 4.429 85 HD2 TYR 10 HD2 TYR 10 -4.918 -15.737 4.214 86 HE1 TYR 10 HE1 TYR 10 -4.878 -20.202 2.148 87 HE2 TYR 10 HE2 TYR 10 -5.788 -16.040 1.933 88 HH TYR 10 HH TYR 10 -6.730 -18.738 0.666 89 H CYS 11 H CYS 11 -6.556 -19.411 5.970 90 HA CYS 11 HA CYS 11 -5.430 -21.715 7.374 91 HB2 CYS 11 2HB CYS 11 -7.898 -20.457 8.093 92 HB3 CYS 11 3HB CYS 11 -8.251 -22.043 7.414 93 H ASN 12 H ASN 12 -4.762 -22.813 5.618 94 HA ASN 12 HA ASN 12 -6.367 -22.950 3.221 95 HB2 ASN 12 2HB ASN 12 -3.678 -23.100 3.683 96 HB3 ASN 12 3HB ASN 12 -4.089 -24.799 3.469 97 HD21 ASN 12 1HD2 ASN 12 -4.029 -25.521 1.476 98 HD22 ASN 12 2HD2 ASN 12 -4.199 -24.572 0.041 99 H ARG 13 H ARG 13 -8.202 -24.107 3.513 100 HA ARG 13 HA ARG 13 -8.638 -26.282 5.139 101 HB2 ARG 13 2HB ARG 13 -10.431 -26.913 3.437 102 HB3 ARG 13 3HB ARG 13 -10.526 -25.299 4.130 103 HG2 ARG 13 2HG ARG 13 -10.640 -24.513 2.063 104 HG3 ARG 13 3HG ARG 13 -8.957 -25.002 1.852 105 HD2 ARG 13 2HD ARG 13 -9.500 -26.804 0.602 106 HD3 ARG 13 3HD ARG 13 -10.961 -27.138 1.531 107 HE ARG 13 HE ARG 13 -10.754 -25.576 -0.868 108 HH11 ARG 13 1HH1 ARG 13 -12.594 -26.111 2.039 109 HH12 ARG 13 2HH1 ARG 13 -14.063 -25.468 1.383 110 HH21 ARG 13 1HH2 ARG 13 -12.683 -24.727 -1.743 111 HH22 ARG 13 2HH2 ARG 13 -14.113 -24.682 -0.768 112 H ARG 14 H ARG 14 -6.506 -27.357 4.911 113 HA ARG 14 HA ARG 14 -6.730 -29.552 3.005 114 HB2 ARG 14 2HB ARG 14 -4.205 -27.912 3.279 115 HB3 ARG 14 3HB ARG 14 -4.404 -29.350 2.287 116 HG2 ARG 14 2HG ARG 14 -5.885 -26.756 1.906 117 HG3 ARG 14 3HG ARG 14 -4.485 -27.287 0.971 118 HD2 ARG 14 2HD ARG 14 -6.870 -29.068 1.163 119 HD3 ARG 14 3HD ARG 14 -6.925 -27.674 0.084 120 HE ARG 14 HE ARG 14 -4.552 -29.137 -0.354 121 HH11 ARG 14 1HH1 ARG 14 -7.989 -29.305 -0.885 122 HH12 ARG 14 2HH1 ARG 14 -7.854 -30.303 -2.295 123 HH21 ARG 14 1HH2 ARG 14 -4.361 -30.451 -2.209 124 HH22 ARG 14 2HH2 ARG 14 -5.790 -30.954 -3.047 125 H THR 15 H THR 15 -4.077 -30.527 3.557 126 HA THR 15 HA THR 15 -4.614 -31.935 5.974 127 HB THR 15 HB THR 15 -3.422 -33.111 4.272 128 HG1 THR 15 HG1 THR 15 -2.184 -34.029 5.720 129 HG21 THR 15 1HG2 THR 15 -2.062 -30.628 3.933 130 HG22 THR 15 2HG2 THR 15 -2.007 -32.063 2.909 131 HG23 THR 15 3HG2 THR 15 -0.866 -31.886 4.241 132 H GLY 16 H GLY 16 -4.802 -29.768 7.174 133 HA2 GLY 16 2HA GLY 16 -3.998 -28.484 8.901 134 HA3 GLY 16 3HA GLY 16 -2.606 -29.555 8.946 135 H LYS 17 H LYS 17 -3.885 -27.183 6.609 136 HA LYS 17 HA LYS 17 -1.190 -25.991 6.520 137 HB2 LYS 17 2HB LYS 17 -3.156 -26.646 4.403 138 HB3 LYS 17 3HB LYS 17 -2.303 -25.119 4.222 139 HG2 LYS 17 2HG LYS 17 -0.561 -26.195 3.393 140 HG3 LYS 17 3HG LYS 17 -0.390 -27.090 4.905 141 HD2 LYS 17 2HD LYS 17 -0.693 -28.845 3.484 142 HD3 LYS 17 3HD LYS 17 -2.384 -28.494 3.848 143 HE2 LYS 17 2HE LYS 17 -2.673 -27.326 1.809 144 HE3 LYS 17 3HE LYS 17 -0.937 -27.279 1.507 145 HZ1 LYS 17 1HZ LYS 17 -1.234 -29.866 1.575 146 HZ2 LYS 17 2HZ LYS 17 -1.547 -28.993 0.161 147 HZ3 LYS 17 3HZ LYS 17 -2.827 -29.487 1.150 148 H CYS 18 H CYS 18 -1.844 -24.667 8.347 149 HA CYS 18 HA CYS 18 -3.663 -22.478 7.586 150 HB2 CYS 18 2HB CYS 18 -3.970 -24.061 9.729 151 HB3 CYS 18 3HB CYS 18 -2.895 -22.857 10.432 152 H GLN 19 H GLN 19 -3.095 -20.328 8.318 153 HA GLN 19 HA GLN 19 -0.213 -19.957 8.777 154 HB2 GLN 19 2HB GLN 19 -1.670 -17.939 7.147 155 HB3 GLN 19 3HB GLN 19 0.018 -18.428 7.083 156 HG2 GLN 19 2HG GLN 19 -2.287 -20.085 6.084 157 HG3 GLN 19 3HG GLN 19 -1.271 -19.055 5.076 158 HE21 GLN 19 1HE2 GLN 19 -1.502 -21.700 4.505 159 HE22 GLN 19 2HE2 GLN 19 -0.019 -22.515 4.852 160 H ARG 20 H ARG 20 0.292 -17.711 9.564 161 HA ARG 20 HA ARG 20 -1.900 -16.476 11.055 162 HB2 ARG 20 2HB ARG 20 -0.518 -16.392 13.109 163 HB3 ARG 20 3HB ARG 20 -0.945 -18.033 12.642 164 HG2 ARG 20 2HG ARG 20 1.464 -17.648 11.382 165 HG3 ARG 20 3HG ARG 20 1.666 -16.784 12.908 166 HD2 ARG 20 2HD ARG 20 2.329 -18.902 13.506 167 HD3 ARG 20 3HD ARG 20 0.618 -18.947 13.932 168 HE ARG 20 HE ARG 20 0.944 -19.835 11.283 169 HH11 ARG 20 1HH1 ARG 20 1.589 -20.826 14.558 170 HH12 ARG 20 2HH1 ARG 20 1.500 -22.519 14.202 171 HH21 ARG 20 1HH2 ARG 20 0.824 -22.061 10.802 172 HH22 ARG 20 2HH2 ARG 20 1.065 -23.221 12.065 173 H PHE 21 H PHE 21 -1.881 -14.382 10.614 174 HA PHE 21 HA PHE 21 0.490 -13.124 9.537 175 HB2 PHE 21 2HB PHE 21 -2.180 -11.843 10.138 176 HB3 PHE 21 3HB PHE 21 -0.927 -11.241 9.058 177 HD1 PHE 21 HD1 PHE 21 -0.398 -14.156 7.965 178 HD2 PHE 21 HD2 PHE 21 -3.847 -11.694 8.374 179 HE1 PHE 21 HE1 PHE 21 -1.458 -15.333 6.082 180 HE2 PHE 21 HE2 PHE 21 -4.912 -12.868 6.492 181 HZ PHE 21 HZ PHE 21 -3.718 -14.690 5.344 Start of MODEL 17 1 H1 GLY 1 H GLY 1 0.812 -0.464 1.161 2 HA2 GLY 1 2HA GLY 1 -0.193 -1.004 -0.910 3 HA3 GLY 1 3HA GLY 1 1.190 -0.303 -1.737 4 H SER 2 H SER 2 3.168 -1.720 -0.166 5 HA SER 2 HA SER 2 2.998 -4.278 -1.558 6 HB2 SER 2 2HB SER 2 5.061 -2.561 -1.354 7 HB3 SER 2 3HB SER 2 5.409 -3.591 0.034 8 HG SER 2 HG SER 2 4.766 -4.811 -2.398 9 H LYS 3 H LYS 3 4.080 -3.224 1.676 10 HA LYS 3 HA LYS 3 3.174 -5.814 2.733 11 HB2 LYS 3 2HB LYS 3 5.076 -3.815 3.972 12 HB3 LYS 3 3HB LYS 3 4.676 -5.402 4.616 13 HG2 LYS 3 2HG LYS 3 5.792 -6.505 2.846 14 HG3 LYS 3 3HG LYS 3 5.951 -5.008 1.924 15 HD2 LYS 3 2HD LYS 3 7.135 -5.024 4.634 16 HD3 LYS 3 3HD LYS 3 7.928 -6.034 3.423 17 HE2 LYS 3 2HE LYS 3 7.757 -3.902 1.937 18 HE3 LYS 3 3HE LYS 3 7.559 -3.067 3.477 19 HZ1 LYS 3 1HZ LYS 3 9.927 -3.964 2.282 20 HZ2 LYS 3 2HZ LYS 3 9.711 -4.833 3.717 21 HZ3 LYS 3 3HZ LYS 3 9.739 -3.142 3.749 22 H LYS 4 H LYS 4 1.631 -5.932 4.270 23 HA LYS 4 HA LYS 4 0.803 -3.543 5.707 24 HB2 LYS 4 2HB LYS 4 -1.506 -3.673 5.043 25 HB3 LYS 4 3HB LYS 4 -0.517 -3.556 3.593 26 HG2 LYS 4 2HG LYS 4 -0.676 -6.182 3.679 27 HG3 LYS 4 3HG LYS 4 -2.132 -5.831 4.614 28 HD2 LYS 4 2HD LYS 4 -3.162 -5.648 2.636 29 HD3 LYS 4 3HD LYS 4 -2.334 -4.096 2.490 30 HE2 LYS 4 2HE LYS 4 -1.920 -5.303 0.484 31 HE3 LYS 4 3HE LYS 4 -0.426 -5.325 1.420 32 HZ1 LYS 4 1HZ LYS 4 -2.344 -7.522 0.962 33 HZ2 LYS 4 2HZ LYS 4 -1.279 -7.561 2.275 34 HZ3 LYS 4 3HZ LYS 4 -0.673 -7.501 0.696 35 HA PRO 5 HA PRO 5 0.408 -6.618 8.863 36 HB2 PRO 5 2HB PRO 5 -0.793 -5.052 10.727 37 HB3 PRO 5 3HB PRO 5 0.928 -4.935 10.339 38 HG2 PRO 5 2HG PRO 5 -1.346 -3.230 9.399 39 HG3 PRO 5 3HG PRO 5 0.272 -2.741 9.936 40 HD2 PRO 5 2HD PRO 5 -0.405 -2.909 7.320 41 HD3 PRO 5 3HD PRO 5 1.237 -3.246 7.905 42 H VAL 6 H VAL 6 -1.073 -8.156 9.182 43 HA VAL 6 HA VAL 6 -3.922 -7.447 8.932 44 HB VAL 6 HB VAL 6 -2.772 -10.072 8.000 45 HG11 VAL 6 1HG1 VAL 6 -5.435 -8.718 7.593 46 HG12 VAL 6 2HG1 VAL 6 -4.934 -10.209 6.792 47 HG13 VAL 6 3HG1 VAL 6 -5.114 -10.166 8.547 48 HG21 VAL 6 1HG2 VAL 6 -3.421 -7.635 6.344 49 HG22 VAL 6 2HG2 VAL 6 -1.810 -8.289 6.643 50 HG23 VAL 6 3HG2 VAL 6 -2.981 -9.222 5.711 51 HA PRO 7 HA PRO 7 -3.965 -9.284 12.996 52 HB2 PRO 7 2HB PRO 7 -6.620 -8.914 13.430 53 HB3 PRO 7 3HB PRO 7 -5.433 -7.611 13.568 54 HG2 PRO 7 2HG PRO 7 -7.270 -8.266 11.297 55 HG3 PRO 7 3HG PRO 7 -6.870 -6.685 11.992 56 HD2 PRO 7 2HD PRO 7 -5.741 -7.600 9.707 57 HD3 PRO 7 3HD PRO 7 -4.877 -6.544 10.843 58 H ILE 8 H ILE 8 -5.983 -10.186 10.283 59 HA ILE 8 HA ILE 8 -7.028 -12.561 11.515 60 HB ILE 8 HB ILE 8 -8.237 -12.907 9.599 61 HG12 ILE 8 2HG1 ILE 8 -5.755 -12.031 8.251 62 HG13 ILE 8 3HG1 ILE 8 -6.855 -13.344 7.846 63 HG21 ILE 8 1HG2 ILE 8 -8.568 -10.579 10.517 64 HG22 ILE 8 2HG2 ILE 8 -7.580 -10.003 9.177 65 HG23 ILE 8 3HG2 ILE 8 -9.102 -10.832 8.856 66 HD11 ILE 8 1HD1 ILE 8 -6.902 -11.741 6.085 67 HD12 ILE 8 2HD1 ILE 8 -8.436 -11.650 6.950 68 HD13 ILE 8 3HD1 ILE 8 -7.198 -10.425 7.221 69 H ILE 9 H ILE 9 -6.776 -14.640 9.996 70 HA ILE 9 HA ILE 9 -3.922 -15.016 9.401 71 HB ILE 9 HB ILE 9 -3.959 -17.229 10.441 72 HG12 ILE 9 2HG1 ILE 9 -5.895 -17.733 12.008 73 HG13 ILE 9 3HG1 ILE 9 -6.774 -16.442 11.198 74 HG21 ILE 9 1HG2 ILE 9 -3.132 -15.423 11.780 75 HG22 ILE 9 2HG2 ILE 9 -4.766 -14.958 12.247 76 HG23 ILE 9 3HG2 ILE 9 -4.088 -16.484 12.814 77 HD11 ILE 9 1HD1 ILE 9 -7.063 -17.649 9.294 78 HD12 ILE 9 2HD1 ILE 9 -5.583 -18.581 9.526 79 HD13 ILE 9 3HD1 ILE 9 -7.021 -18.958 10.475 80 H TYR 10 H TYR 10 -3.660 -17.317 8.355 81 HA TYR 10 HA TYR 10 -5.767 -17.572 6.311 82 HB2 TYR 10 2HB TYR 10 -3.315 -16.803 5.730 83 HB3 TYR 10 3HB TYR 10 -2.972 -18.526 5.833 84 HD1 TYR 10 HD1 TYR 10 -3.825 -20.066 4.176 85 HD2 TYR 10 HD2 TYR 10 -4.766 -15.922 3.973 86 HE1 TYR 10 HE1 TYR 10 -4.632 -20.368 1.873 87 HE2 TYR 10 HE2 TYR 10 -5.577 -16.213 1.669 88 HH TYR 10 HH TYR 10 -5.052 -19.115 -0.110 89 H CYS 11 H CYS 11 -6.414 -19.622 5.658 90 HA CYS 11 HA CYS 11 -5.304 -21.928 7.073 91 HB2 CYS 11 2HB CYS 11 -7.803 -20.697 7.732 92 HB3 CYS 11 3HB CYS 11 -8.121 -22.283 7.037 93 H ASN 12 H ASN 12 -4.582 -23.009 5.328 94 HA ASN 12 HA ASN 12 -6.120 -23.138 2.887 95 HB2 ASN 12 2HB ASN 12 -3.448 -23.256 3.403 96 HB3 ASN 12 3HB ASN 12 -3.825 -24.965 3.204 97 HD21 ASN 12 1HD2 ASN 12 -3.778 -25.728 1.221 98 HD22 ASN 12 2HD2 ASN 12 -3.903 -24.797 -0.230 99 H ARG 13 H ARG 13 -7.954 -24.310 3.123 100 HA ARG 13 HA ARG 13 -8.421 -26.498 4.719 101 HB2 ARG 13 2HB ARG 13 -9.567 -25.786 2.021 102 HB3 ARG 13 3HB ARG 13 -10.167 -27.130 2.984 103 HG2 ARG 13 2HG ARG 13 -11.524 -25.717 4.010 104 HG3 ARG 13 3HG ARG 13 -10.110 -24.922 4.705 105 HD2 ARG 13 2HD ARG 13 -10.127 -23.837 2.230 106 HD3 ARG 13 3HD ARG 13 -11.853 -24.094 2.481 107 HE ARG 13 HE ARG 13 -10.225 -22.121 3.726 108 HH11 ARG 13 1HH1 ARG 13 -12.964 -24.206 4.249 109 HH12 ARG 13 2HH1 ARG 13 -13.687 -23.174 5.438 110 HH21 ARG 13 1HH2 ARG 13 -11.167 -20.755 5.290 111 HH22 ARG 13 2HH2 ARG 13 -12.665 -21.211 6.029 112 H ARG 14 H ARG 14 -6.275 -27.556 4.551 113 HA ARG 14 HA ARG 14 -6.423 -29.742 2.627 114 HB2 ARG 14 2HB ARG 14 -3.950 -28.037 2.977 115 HB3 ARG 14 3HB ARG 14 -4.042 -29.517 2.033 116 HG2 ARG 14 2HG ARG 14 -5.589 -26.993 1.481 117 HG3 ARG 14 3HG ARG 14 -4.138 -27.521 0.627 118 HD2 ARG 14 2HD ARG 14 -5.245 -29.378 -0.312 119 HD3 ARG 14 3HD ARG 14 -6.609 -29.223 0.795 120 HE ARG 14 HE ARG 14 -7.539 -27.707 -0.638 121 HH11 ARG 14 1HH1 ARG 14 -4.149 -28.013 -1.371 122 HH12 ARG 14 2HH1 ARG 14 -4.234 -27.025 -2.791 123 HH21 ARG 14 1HH2 ARG 14 -7.663 -26.405 -2.506 124 HH22 ARG 14 2HH2 ARG 14 -6.233 -26.110 -3.436 125 H THR 15 H THR 15 -3.794 -30.716 3.251 126 HA THR 15 HA THR 15 -4.396 -32.132 5.648 127 HB THR 15 HB THR 15 -3.156 -33.300 3.975 128 HG1 THR 15 HG1 THR 15 -1.774 -34.193 5.352 129 HG21 THR 15 1HG2 THR 15 -1.788 -30.815 3.684 130 HG22 THR 15 2HG2 THR 15 -1.703 -32.246 2.657 131 HG23 THR 15 3HG2 THR 15 -0.600 -32.073 4.023 132 H GLY 16 H GLY 16 -4.619 -29.969 6.850 133 HA2 GLY 16 2HA GLY 16 -3.865 -28.696 8.608 134 HA3 GLY 16 3HA GLY 16 -2.468 -29.760 8.679 135 H LYS 17 H LYS 17 -3.704 -27.379 6.327 136 HA LYS 17 HA LYS 17 -1.016 -26.171 6.312 137 HB2 LYS 17 2HB LYS 17 -2.931 -26.811 4.140 138 HB3 LYS 17 3HB LYS 17 -2.054 -25.294 3.990 139 HG2 LYS 17 2HG LYS 17 0.004 -26.871 4.555 140 HG3 LYS 17 3HG LYS 17 -1.068 -28.083 3.849 141 HD2 LYS 17 2HD LYS 17 -1.357 -26.431 1.914 142 HD3 LYS 17 3HD LYS 17 0.046 -25.595 2.583 143 HE2 LYS 17 2HE LYS 17 1.396 -27.582 2.338 144 HE3 LYS 17 3HE LYS 17 -0.006 -28.509 1.806 145 HZ1 LYS 17 1HZ LYS 17 0.115 -27.668 -0.256 146 HZ2 LYS 17 2HZ LYS 17 1.724 -27.336 0.148 147 HZ3 LYS 17 3HZ LYS 17 0.554 -26.119 0.267 148 H CYS 18 H CYS 18 -1.724 -24.859 8.127 149 HA CYS 18 HA CYS 18 -3.539 -22.679 7.330 150 HB2 CYS 18 2HB CYS 18 -3.883 -24.276 9.460 151 HB3 CYS 18 3HB CYS 18 -2.842 -23.060 10.193 152 H GLN 19 H GLN 19 -3.005 -20.529 8.090 153 HA GLN 19 HA GLN 19 -0.137 -20.141 8.619 154 HB2 GLN 19 2HB GLN 19 -1.572 -18.122 6.971 155 HB3 GLN 19 3HB GLN 19 0.121 -18.596 6.942 156 HG2 GLN 19 2HG GLN 19 -2.146 -20.265 5.878 157 HG3 GLN 19 3HG GLN 19 -1.115 -19.220 4.901 158 HE21 GLN 19 1HE2 GLN 19 -1.526 -22.115 4.791 159 HE22 GLN 19 2HE2 GLN 19 0.039 -22.823 4.979 160 H ARG 20 H ARG 20 0.333 -17.896 9.433 161 HA ARG 20 HA ARG 20 -1.901 -16.689 10.884 162 HB2 ARG 20 2HB ARG 20 0.512 -17.964 12.102 163 HB3 ARG 20 3HB ARG 20 -0.166 -16.532 12.865 164 HG2 ARG 20 2HG ARG 20 -2.284 -17.631 13.165 165 HG3 ARG 20 3HG ARG 20 -1.719 -19.038 12.262 166 HD2 ARG 20 2HD ARG 20 0.148 -18.524 14.334 167 HD3 ARG 20 3HD ARG 20 -1.467 -18.480 15.041 168 HE ARG 20 HE ARG 20 -0.084 -20.780 14.037 169 HH11 ARG 20 1HH1 ARG 20 -3.219 -19.383 14.623 170 HH12 ARG 20 2HH1 ARG 20 -4.022 -20.913 14.742 171 HH21 ARG 20 1HH2 ARG 20 -1.131 -22.800 14.192 172 HH22 ARG 20 2HH2 ARG 20 -2.834 -22.856 14.498 173 H PHE 21 H PHE 21 -1.890 -14.593 10.456 174 HA PHE 21 HA PHE 21 0.493 -13.308 9.440 175 HB2 PHE 21 2HB PHE 21 -2.201 -12.054 9.991 176 HB3 PHE 21 3HB PHE 21 -0.929 -11.432 8.945 177 HD1 PHE 21 HD1 PHE 21 -0.351 -14.337 7.844 178 HD2 PHE 21 HD2 PHE 21 -3.826 -11.903 8.186 179 HE1 PHE 21 HE1 PHE 21 -1.356 -15.508 5.928 180 HE2 PHE 21 HE2 PHE 21 -4.836 -13.070 6.271 181 HZ PHE 21 HZ PHE 21 -3.602 -14.876 5.139 Start of MODEL 18 1 H1 GLY 1 H GLY 1 0.400 -2.808 -2.999 2 HA2 GLY 1 2HA GLY 1 2.008 -1.074 -1.483 3 HA3 GLY 1 3HA GLY 1 0.934 -1.929 -0.386 4 H SER 2 H SER 2 3.379 -2.438 0.194 5 HA SER 2 HA SER 2 4.174 -4.879 -1.243 6 HB2 SER 2 2HB SER 2 5.682 -2.708 0.077 7 HB3 SER 2 3HB SER 2 6.302 -4.335 0.360 8 HG SER 2 HG SER 2 6.722 -4.564 -1.746 9 H LYS 3 H LYS 3 4.204 -3.555 2.070 10 HA LYS 3 HA LYS 3 3.461 -6.232 3.044 11 HB2 LYS 3 2HB LYS 3 4.818 -5.637 5.116 12 HB3 LYS 3 3HB LYS 3 5.728 -6.033 3.664 13 HG2 LYS 3 2HG LYS 3 5.164 -3.197 3.855 14 HG3 LYS 3 3HG LYS 3 6.053 -3.802 5.255 15 HD2 LYS 3 2HD LYS 3 7.794 -4.665 3.865 16 HD3 LYS 3 3HD LYS 3 6.859 -4.346 2.402 17 HE2 LYS 3 2HE LYS 3 7.934 -2.398 2.279 18 HE3 LYS 3 3HE LYS 3 6.985 -1.888 3.675 19 HZ1 LYS 3 1HZ LYS 3 8.715 -2.478 5.133 20 HZ2 LYS 3 2HZ LYS 3 9.463 -1.636 3.871 21 HZ3 LYS 3 3HZ LYS 3 9.562 -3.324 3.938 22 H LYS 4 H LYS 4 1.856 -6.320 4.527 23 HA LYS 4 HA LYS 4 1.017 -3.909 5.921 24 HB2 LYS 4 2HB LYS 4 -0.905 -5.453 4.171 25 HB3 LYS 4 3HB LYS 4 -1.295 -4.062 5.174 26 HG2 LYS 4 2HG LYS 4 0.214 -2.683 3.794 27 HG3 LYS 4 3HG LYS 4 0.504 -4.083 2.758 28 HD2 LYS 4 2HD LYS 4 -1.206 -3.238 1.559 29 HD3 LYS 4 3HD LYS 4 -2.204 -4.025 2.784 30 HE2 LYS 4 2HE LYS 4 -1.492 -1.548 3.870 31 HE3 LYS 4 3HE LYS 4 -1.898 -1.222 2.186 32 HZ1 LYS 4 1HZ LYS 4 -4.051 -1.707 2.522 33 HZ2 LYS 4 2HZ LYS 4 -3.699 -1.373 4.142 34 HZ3 LYS 4 3HZ LYS 4 -3.729 -2.974 3.596 35 HA PRO 5 HA PRO 5 0.413 -6.965 9.061 36 HB2 PRO 5 2HB PRO 5 -0.837 -5.369 10.866 37 HB3 PRO 5 3HB PRO 5 0.902 -5.291 10.556 38 HG2 PRO 5 2HG PRO 5 -1.289 -3.539 9.511 39 HG3 PRO 5 3HG PRO 5 0.312 -3.084 10.120 40 HD2 PRO 5 2HD PRO 5 -0.249 -3.244 7.476 41 HD3 PRO 5 3HD PRO 5 1.357 -3.615 8.135 42 H VAL 6 H VAL 6 -1.114 -8.471 9.312 43 HA VAL 6 HA VAL 6 -3.933 -7.701 8.933 44 HB VAL 6 HB VAL 6 -2.797 -10.353 8.059 45 HG11 VAL 6 1HG1 VAL 6 -5.409 -8.949 7.511 46 HG12 VAL 6 2HG1 VAL 6 -4.903 -10.469 6.770 47 HG13 VAL 6 3HG1 VAL 6 -5.168 -10.380 8.512 48 HG21 VAL 6 1HG2 VAL 6 -3.318 -7.904 6.376 49 HG22 VAL 6 2HG2 VAL 6 -1.739 -8.601 6.739 50 HG23 VAL 6 3HG2 VAL 6 -2.896 -9.502 5.760 51 HA PRO 7 HA PRO 7 -4.198 -9.522 12.996 52 HB2 PRO 7 2HB PRO 7 -6.858 -9.085 13.312 53 HB3 PRO 7 3HB PRO 7 -5.647 -7.812 13.500 54 HG2 PRO 7 2HG PRO 7 -7.398 -8.428 11.152 55 HG3 PRO 7 3HG PRO 7 -6.990 -6.855 11.861 56 HD2 PRO 7 2HD PRO 7 -5.785 -7.805 9.630 57 HD3 PRO 7 3HD PRO 7 -4.945 -6.767 10.800 58 H ILE 8 H ILE 8 -6.122 -10.380 10.201 59 HA ILE 8 HA ILE 8 -7.280 -12.723 11.388 60 HB ILE 8 HB ILE 8 -8.403 -13.049 9.415 61 HG12 ILE 8 2HG1 ILE 8 -5.839 -12.233 8.186 62 HG13 ILE 8 3HG1 ILE 8 -6.946 -13.525 7.733 63 HG21 ILE 8 1HG2 ILE 8 -8.709 -10.705 10.315 64 HG22 ILE 8 2HG2 ILE 8 -7.661 -10.165 9.005 65 HG23 ILE 8 3HG2 ILE 8 -9.191 -10.962 8.639 66 HD11 ILE 8 1HD1 ILE 8 -6.875 -11.928 5.967 67 HD12 ILE 8 2HD1 ILE 8 -8.446 -11.800 6.758 68 HD13 ILE 8 3HD1 ILE 8 -7.195 -10.601 7.082 69 H ILE 9 H ILE 9 -7.011 -14.815 9.888 70 HA ILE 9 HA ILE 9 -4.142 -15.269 9.434 71 HB ILE 9 HB ILE 9 -4.288 -17.475 10.478 72 HG12 ILE 9 2HG1 ILE 9 -6.310 -17.921 11.951 73 HG13 ILE 9 3HG1 ILE 9 -7.115 -16.610 11.094 74 HG21 ILE 9 1HG2 ILE 9 -3.481 -15.682 11.848 75 HG22 ILE 9 2HG2 ILE 9 -5.124 -15.178 12.238 76 HG23 ILE 9 3HG2 ILE 9 -4.508 -16.718 12.838 77 HD11 ILE 9 1HD1 ILE 9 -7.343 -17.819 9.183 78 HD12 ILE 9 2HD1 ILE 9 -5.902 -18.788 9.489 79 HD13 ILE 9 3HD1 ILE 9 -7.393 -19.122 10.369 80 H TYR 10 H TYR 10 -3.890 -17.580 8.409 81 HA TYR 10 HA TYR 10 -5.902 -17.788 6.265 82 HB2 TYR 10 2HB TYR 10 -3.405 -17.086 5.802 83 HB3 TYR 10 3HB TYR 10 -3.112 -18.817 5.927 84 HD1 TYR 10 HD1 TYR 10 -3.926 -20.343 4.237 85 HD2 TYR 10 HD2 TYR 10 -4.745 -16.176 3.973 86 HE1 TYR 10 HE1 TYR 10 -4.628 -20.635 1.898 87 HE2 TYR 10 HE2 TYR 10 -5.450 -16.457 1.633 88 HH TYR 10 HH TYR 10 -6.419 -18.568 0.244 89 H CYS 11 H CYS 11 -6.569 -19.824 5.588 90 HA CYS 11 HA CYS 11 -5.591 -22.152 7.062 91 HB2 CYS 11 2HB CYS 11 -8.083 -20.853 7.600 92 HB3 CYS 11 3HB CYS 11 -8.413 -22.429 6.888 93 H ASN 12 H ASN 12 -4.814 -23.258 5.358 94 HA ASN 12 HA ASN 12 -6.234 -23.358 2.845 95 HB2 ASN 12 2HB ASN 12 -3.595 -23.542 3.489 96 HB3 ASN 12 3HB ASN 12 -4.006 -25.242 3.281 97 HD21 ASN 12 1HD2 ASN 12 -3.888 -26.018 1.305 98 HD22 ASN 12 2HD2 ASN 12 -3.917 -25.093 -0.154 99 H ARG 13 H ARG 13 -8.108 -24.481 2.996 100 HA ARG 13 HA ARG 13 -8.709 -26.649 4.574 101 HB2 ARG 13 2HB ARG 13 -9.708 -25.843 1.851 102 HB3 ARG 13 3HB ARG 13 -10.348 -27.253 2.686 103 HG2 ARG 13 2HG ARG 13 -11.583 -26.016 4.074 104 HG3 ARG 13 3HG ARG 13 -10.290 -24.843 4.331 105 HD2 ARG 13 2HD ARG 13 -11.892 -23.575 3.250 106 HD3 ARG 13 3HD ARG 13 -10.852 -24.079 1.917 107 HE ARG 13 HE ARG 13 -12.915 -25.956 2.223 108 HH11 ARG 13 1HH1 ARG 13 -12.423 -22.659 1.219 109 HH12 ARG 13 2HH1 ARG 13 -13.772 -22.652 0.132 110 HH21 ARG 13 1HH2 ARG 13 -14.694 -25.958 0.795 111 HH22 ARG 13 2HH2 ARG 13 -15.063 -24.529 -0.108 112 H ARG 14 H ARG 14 -6.586 -27.763 4.514 113 HA ARG 14 HA ARG 14 -6.697 -29.952 2.591 114 HB2 ARG 14 2HB ARG 14 -4.202 -28.308 3.055 115 HB3 ARG 14 3HB ARG 14 -4.284 -29.792 2.115 116 HG2 ARG 14 2HG ARG 14 -5.738 -27.234 1.474 117 HG3 ARG 14 3HG ARG 14 -4.261 -27.805 0.696 118 HD2 ARG 14 2HD ARG 14 -5.369 -29.646 -0.280 119 HD3 ARG 14 3HD ARG 14 -6.785 -29.435 0.749 120 HE ARG 14 HE ARG 14 -7.577 -27.869 -0.721 121 HH11 ARG 14 1HH1 ARG 14 -4.203 -28.438 -1.364 122 HH12 ARG 14 2HH1 ARG 14 -4.189 -27.501 -2.821 123 HH21 ARG 14 1HH2 ARG 14 -7.571 -26.633 -2.638 124 HH22 ARG 14 2HH2 ARG 14 -6.105 -26.474 -3.544 125 H THR 15 H THR 15 -4.130 -30.994 3.345 126 HA THR 15 HA THR 15 -4.884 -32.382 5.715 127 HB THR 15 HB THR 15 -3.596 -33.590 4.107 128 HG1 THR 15 HG1 THR 15 -3.104 -34.018 6.338 129 HG21 THR 15 1HG2 THR 15 -1.013 -32.433 4.272 130 HG22 THR 15 2HG2 THR 15 -2.149 -31.143 3.877 131 HG23 THR 15 3HG2 THR 15 -2.055 -32.579 2.858 132 H GLY 16 H GLY 16 -5.107 -30.209 6.897 133 HA2 GLY 16 2HA GLY 16 -4.405 -28.948 8.686 134 HA3 GLY 16 3HA GLY 16 -3.042 -30.048 8.828 135 H LYS 17 H LYS 17 -4.100 -27.646 6.412 136 HA LYS 17 HA LYS 17 -1.384 -26.508 6.523 137 HB2 LYS 17 2HB LYS 17 -3.210 -27.105 4.262 138 HB3 LYS 17 3HB LYS 17 -2.282 -25.615 4.151 139 HG2 LYS 17 2HG LYS 17 -0.533 -26.767 3.448 140 HG3 LYS 17 3HG LYS 17 -0.507 -27.656 4.973 141 HD2 LYS 17 2HD LYS 17 -0.758 -29.398 3.513 142 HD3 LYS 17 3HD LYS 17 -2.455 -29.010 3.805 143 HE2 LYS 17 2HE LYS 17 -2.308 -29.198 1.483 144 HE3 LYS 17 3HE LYS 17 -2.249 -27.460 1.774 145 HZ1 LYS 17 1HZ LYS 17 0.074 -29.229 1.233 146 HZ2 LYS 17 2HZ LYS 17 0.179 -27.581 1.596 147 HZ3 LYS 17 3HZ LYS 17 -0.584 -28.086 0.174 148 H CYS 18 H CYS 18 -2.144 -25.170 8.298 149 HA CYS 18 HA CYS 18 -3.861 -22.948 7.407 150 HB2 CYS 18 2HB CYS 18 -4.350 -24.526 9.523 151 HB3 CYS 18 3HB CYS 18 -3.314 -23.334 10.301 152 H GLN 19 H GLN 19 -3.308 -20.809 8.187 153 HA GLN 19 HA GLN 19 -0.460 -20.493 8.853 154 HB2 GLN 19 2HB GLN 19 -1.760 -18.444 7.130 155 HB3 GLN 19 3HB GLN 19 -0.081 -18.963 7.185 156 HG2 GLN 19 2HG GLN 19 -2.336 -20.576 6.017 157 HG3 GLN 19 3HG GLN 19 -1.231 -19.563 5.089 158 HE21 GLN 19 1HE2 GLN 19 -1.771 -22.509 5.148 159 HE22 GLN 19 2HE2 GLN 19 -0.215 -23.233 5.345 160 H ARG 20 H ARG 20 0.028 -18.258 9.682 161 HA ARG 20 HA ARG 20 -2.241 -16.987 11.019 162 HB2 ARG 20 2HB ARG 20 -0.960 -16.917 13.159 163 HB3 ARG 20 3HB ARG 20 -1.461 -18.534 12.684 164 HG2 ARG 20 2HG ARG 20 0.631 -19.236 12.798 165 HG3 ARG 20 3HG ARG 20 1.119 -18.038 11.597 166 HD2 ARG 20 2HD ARG 20 0.898 -16.474 13.786 167 HD3 ARG 20 3HD ARG 20 1.371 -17.999 14.534 168 HE ARG 20 HE ARG 20 3.104 -17.604 12.421 169 HH11 ARG 20 1HH1 ARG 20 2.252 -15.954 15.366 170 HH12 ARG 20 2HH1 ARG 20 3.821 -15.250 15.579 171 HH21 ARG 20 1HH2 ARG 20 5.173 -16.682 12.690 172 HH22 ARG 20 2HH2 ARG 20 5.481 -15.664 14.055 173 H PHE 21 H PHE 21 -2.154 -14.894 10.584 174 HA PHE 21 HA PHE 21 0.309 -13.675 9.682 175 HB2 PHE 21 2HB PHE 21 -2.374 -12.349 10.099 176 HB3 PHE 21 3HB PHE 21 -1.038 -11.765 9.113 177 HD1 PHE 21 HD1 PHE 21 -0.485 -14.689 8.050 178 HD2 PHE 21 HD2 PHE 21 -3.907 -12.164 8.218 179 HE1 PHE 21 HE1 PHE 21 -1.427 -15.842 6.091 180 HE2 PHE 21 HE2 PHE 21 -4.855 -13.313 6.260 181 HZ PHE 21 HZ PHE 21 -3.615 -15.155 5.194 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.013 -0.516 0.011 2 HA2 GLY 1 2HA GLY 1 2.393 0.385 -1.437 3 HA3 GLY 1 3HA GLY 1 2.349 -0.043 0.266 4 H SER 2 H SER 2 3.454 -1.838 0.623 5 HA SER 2 HA SER 2 3.149 -4.065 -1.282 6 HB2 SER 2 2HB SER 2 5.646 -3.128 0.139 7 HB3 SER 2 3HB SER 2 5.515 -4.705 -0.640 8 HG SER 2 HG SER 2 5.843 -2.220 -1.749 9 H LYS 3 H LYS 3 4.182 -3.281 2.037 10 HA LYS 3 HA LYS 3 3.117 -5.879 2.909 11 HB2 LYS 3 2HB LYS 3 5.135 -4.016 4.162 12 HB3 LYS 3 3HB LYS 3 4.456 -5.401 5.006 13 HG2 LYS 3 2HG LYS 3 6.067 -6.644 4.139 14 HG3 LYS 3 3HG LYS 3 5.356 -6.382 2.544 15 HD2 LYS 3 2HD LYS 3 7.574 -5.689 2.296 16 HD3 LYS 3 3HD LYS 3 6.681 -4.184 2.532 17 HE2 LYS 3 2HE LYS 3 7.605 -3.798 4.569 18 HE3 LYS 3 3HE LYS 3 7.715 -5.513 4.964 19 HZ1 LYS 3 1HZ LYS 3 9.770 -3.883 4.166 20 HZ2 LYS 3 2HZ LYS 3 9.436 -4.826 2.802 21 HZ3 LYS 3 3HZ LYS 3 9.809 -5.571 4.274 22 H LYS 4 H LYS 4 1.547 -6.018 4.445 23 HA LYS 4 HA LYS 4 0.669 -3.627 5.849 24 HB2 LYS 4 2HB LYS 4 -1.664 -3.879 5.130 25 HB3 LYS 4 3HB LYS 4 -0.606 -3.533 3.769 26 HG2 LYS 4 2HG LYS 4 -0.558 -6.086 3.438 27 HG3 LYS 4 3HG LYS 4 -1.981 -6.091 4.483 28 HD2 LYS 4 2HD LYS 4 -3.297 -5.345 2.840 29 HD3 LYS 4 3HD LYS 4 -2.156 -4.069 2.409 30 HE2 LYS 4 2HE LYS 4 -0.818 -6.126 1.404 31 HE3 LYS 4 3HE LYS 4 -2.435 -6.824 1.329 32 HZ1 LYS 4 1HZ LYS 4 -3.172 -5.109 -0.075 33 HZ2 LYS 4 2HZ LYS 4 -1.669 -5.573 -0.697 34 HZ3 LYS 4 3HZ LYS 4 -1.805 -4.154 0.214 35 HA PRO 5 HA PRO 5 0.154 -6.698 8.990 36 HB2 PRO 5 2HB PRO 5 -1.114 -5.130 10.807 37 HB3 PRO 5 3HB PRO 5 0.620 -5.016 10.483 38 HG2 PRO 5 2HG PRO 5 -1.615 -3.308 9.458 39 HG3 PRO 5 3HG PRO 5 -0.018 -2.821 10.055 40 HD2 PRO 5 2HD PRO 5 -0.598 -2.990 7.415 41 HD3 PRO 5 3HD PRO 5 1.021 -3.328 8.061 42 H VAL 6 H VAL 6 -1.340 -8.235 9.254 43 HA VAL 6 HA VAL 6 -4.177 -7.523 8.898 44 HB VAL 6 HB VAL 6 -2.994 -10.150 8.011 45 HG11 VAL 6 1HG1 VAL 6 -5.640 -8.798 7.498 46 HG12 VAL 6 2HG1 VAL 6 -5.110 -10.297 6.732 47 HG13 VAL 6 3HG1 VAL 6 -5.357 -10.237 8.478 48 HG21 VAL 6 1HG2 VAL 6 -3.594 -7.722 6.323 49 HG22 VAL 6 2HG2 VAL 6 -1.990 -8.353 6.694 50 HG23 VAL 6 3HG2 VAL 6 -3.108 -9.306 5.718 51 HA PRO 7 HA PRO 7 -4.372 -9.356 12.959 52 HB2 PRO 7 2HB PRO 7 -7.040 -8.979 13.296 53 HB3 PRO 7 3HB PRO 7 -5.856 -7.679 13.477 54 HG2 PRO 7 2HG PRO 7 -7.610 -8.332 11.141 55 HG3 PRO 7 3HG PRO 7 -7.232 -6.750 11.849 56 HD2 PRO 7 2HD PRO 7 -6.022 -7.671 9.608 57 HD3 PRO 7 3HD PRO 7 -5.198 -6.615 10.773 58 H ILE 8 H ILE 8 -6.294 -10.255 10.176 59 HA ILE 8 HA ILE 8 -7.390 -12.625 11.370 60 HB ILE 8 HB ILE 8 -8.525 -12.971 9.408 61 HG12 ILE 8 2HG1 ILE 8 -5.991 -12.101 8.156 62 HG13 ILE 8 3HG1 ILE 8 -7.075 -13.414 7.711 63 HG21 ILE 8 1HG2 ILE 8 -7.849 -10.071 8.995 64 HG22 ILE 8 2HG2 ILE 8 -9.363 -10.901 8.639 65 HG23 ILE 8 3HG2 ILE 8 -8.876 -10.636 10.313 66 HD11 ILE 8 1HD1 ILE 8 -7.053 -11.813 5.947 67 HD12 ILE 8 2HD1 ILE 8 -8.619 -11.720 6.752 68 HD13 ILE 8 3HD1 ILE 8 -7.391 -10.495 7.068 69 H ILE 9 H ILE 9 -7.087 -14.707 9.864 70 HA ILE 9 HA ILE 9 -4.213 -15.093 9.381 71 HB ILE 9 HB ILE 9 -4.298 -17.305 10.422 72 HG12 ILE 9 2HG1 ILE 9 -6.295 -17.798 11.915 73 HG13 ILE 9 3HG1 ILE 9 -7.138 -16.506 11.068 74 HG21 ILE 9 1HG2 ILE 9 -5.169 -15.031 12.196 75 HG22 ILE 9 2HG2 ILE 9 -4.513 -16.557 12.786 76 HG23 ILE 9 3HG2 ILE 9 -3.518 -15.497 11.789 77 HD11 ILE 9 1HD1 ILE 9 -7.363 -19.024 10.341 78 HD12 ILE 9 2HD1 ILE 9 -7.354 -17.717 9.156 79 HD13 ILE 9 3HD1 ILE 9 -5.888 -18.653 9.448 80 H TYR 10 H TYR 10 -3.918 -17.397 8.350 81 HA TYR 10 HA TYR 10 -5.944 -17.648 6.226 82 HB2 TYR 10 2HB TYR 10 -3.469 -16.888 5.740 83 HB3 TYR 10 3HB TYR 10 -3.136 -18.612 5.858 84 HD1 TYR 10 HD1 TYR 10 -3.928 -20.151 4.171 85 HD2 TYR 10 HD2 TYR 10 -4.850 -16.005 3.927 86 HE1 TYR 10 HE1 TYR 10 -4.645 -20.455 1.839 87 HE2 TYR 10 HE2 TYR 10 -5.571 -16.297 1.594 88 HH TYR 10 HH TYR 10 -5.191 -17.852 -0.269 89 H CYS 11 H CYS 11 -6.571 -19.698 5.551 90 HA CYS 11 HA CYS 11 -5.525 -22.005 7.011 91 HB2 CYS 11 2HB CYS 11 -8.044 -20.766 7.570 92 HB3 CYS 11 3HB CYS 11 -8.339 -22.353 6.867 93 H ASN 12 H ASN 12 -4.739 -23.090 5.297 94 HA ASN 12 HA ASN 12 -6.180 -23.219 2.798 95 HB2 ASN 12 2HB ASN 12 -3.531 -23.344 3.418 96 HB3 ASN 12 3HB ASN 12 -3.905 -25.052 3.207 97 HD21 ASN 12 1HD2 ASN 12 -3.784 -25.818 1.229 98 HD22 ASN 12 2HD2 ASN 12 -3.849 -24.890 -0.227 99 H ARG 13 H ARG 13 -8.026 -24.385 2.964 100 HA ARG 13 HA ARG 13 -8.562 -26.569 4.544 101 HB2 ARG 13 2HB ARG 13 -9.596 -26.040 1.752 102 HB3 ARG 13 3HB ARG 13 -10.318 -27.151 2.909 103 HG2 ARG 13 2HG ARG 13 -11.553 -25.488 3.679 104 HG3 ARG 13 3HG ARG 13 -10.082 -24.679 4.224 105 HD2 ARG 13 2HD ARG 13 -9.916 -23.415 2.256 106 HD3 ARG 13 3HD ARG 13 -11.040 -24.461 1.388 107 HE ARG 13 HE ARG 13 -12.784 -23.260 2.262 108 HH11 ARG 13 1HH1 ARG 13 -9.876 -22.512 4.025 109 HH12 ARG 13 2HH1 ARG 13 -10.594 -21.211 4.915 110 HH21 ARG 13 1HH2 ARG 13 -13.741 -21.549 3.428 111 HH22 ARG 13 2HH2 ARG 13 -12.793 -20.665 4.576 112 H ARG 14 H ARG 14 -6.414 -27.633 4.461 113 HA ARG 14 HA ARG 14 -6.493 -29.822 2.536 114 HB2 ARG 14 2HB ARG 14 -4.031 -28.123 2.980 115 HB3 ARG 14 3HB ARG 14 -4.090 -29.605 2.035 116 HG2 ARG 14 2HG ARG 14 -5.608 -27.078 1.419 117 HG3 ARG 14 3HG ARG 14 -4.125 -27.612 0.623 118 HD2 ARG 14 2HD ARG 14 -5.200 -29.470 -0.353 119 HD3 ARG 14 3HD ARG 14 -6.607 -29.304 0.697 120 HE ARG 14 HE ARG 14 -6.228 -26.999 -0.932 121 HH11 ARG 14 1HH1 ARG 14 -7.436 -30.264 -0.951 122 HH12 ARG 14 2HH1 ARG 14 -8.557 -29.980 -2.242 123 HH21 ARG 14 1HH2 ARG 14 -7.699 -26.613 -2.631 124 HH22 ARG 14 2HH2 ARG 14 -8.705 -27.903 -3.197 125 H THR 15 H THR 15 -3.894 -30.803 3.264 126 HA THR 15 HA THR 15 -4.593 -32.214 5.638 127 HB THR 15 HB THR 15 -3.293 -33.388 4.015 128 HG1 THR 15 HG1 THR 15 -2.630 -34.140 5.940 129 HG21 THR 15 1HG2 THR 15 -0.736 -32.170 4.160 130 HG22 THR 15 2HG2 THR 15 -1.907 -30.908 3.775 131 HG23 THR 15 3HG2 THR 15 -1.786 -32.341 2.754 132 H GLY 16 H GLY 16 -4.856 -30.048 6.827 133 HA2 GLY 16 2HA GLY 16 -4.167 -28.774 8.611 134 HA3 GLY 16 3HA GLY 16 -2.777 -29.843 8.738 135 H LYS 17 H LYS 17 -3.913 -27.462 6.337 136 HA LYS 17 HA LYS 17 -1.223 -26.261 6.424 137 HB2 LYS 17 2HB LYS 17 -3.054 -26.900 4.180 138 HB3 LYS 17 3HB LYS 17 -2.167 -25.385 4.062 139 HG2 LYS 17 2HG LYS 17 -0.135 -26.959 4.704 140 HG3 LYS 17 3HG LYS 17 -1.182 -28.178 3.973 141 HD2 LYS 17 2HD LYS 17 -1.167 -27.115 1.895 142 HD3 LYS 17 3HD LYS 17 -0.627 -25.580 2.580 143 HE2 LYS 17 2HE LYS 17 1.569 -26.368 2.879 144 HE3 LYS 17 3HE LYS 17 1.083 -28.049 2.660 145 HZ1 LYS 17 1HZ LYS 17 1.430 -25.945 0.627 146 HZ2 LYS 17 2HZ LYS 17 0.415 -27.263 0.319 147 HZ3 LYS 17 3HZ LYS 17 2.055 -27.518 0.651 148 H CYS 18 H CYS 18 -1.998 -24.945 8.209 149 HA CYS 18 HA CYS 18 -3.773 -22.761 7.338 150 HB2 CYS 18 2HB CYS 18 -4.204 -24.354 9.456 151 HB3 CYS 18 3HB CYS 18 -3.189 -23.138 10.226 152 H GLN 19 H GLN 19 -3.262 -20.611 8.116 153 HA GLN 19 HA GLN 19 -0.416 -20.230 8.755 154 HB2 GLN 19 2HB GLN 19 -1.780 -18.210 7.049 155 HB3 GLN 19 3HB GLN 19 -0.089 -18.689 7.087 156 HG2 GLN 19 2HG GLN 19 -2.317 -20.353 5.938 157 HG3 GLN 19 3HG GLN 19 -1.246 -19.313 5.001 158 HE21 GLN 19 1HE2 GLN 19 1.176 -19.747 5.716 159 HE22 GLN 19 2HE2 GLN 19 1.631 -21.412 5.642 160 H ARG 20 H ARG 20 0.028 -17.986 9.584 161 HA ARG 20 HA ARG 20 -2.257 -16.770 10.945 162 HB2 ARG 20 2HB ARG 20 -0.880 -16.650 13.059 163 HB3 ARG 20 3HB ARG 20 -1.476 -18.249 12.633 164 HG2 ARG 20 2HG ARG 20 1.088 -17.885 11.448 165 HG3 ARG 20 3HG ARG 20 1.176 -17.450 13.156 166 HD2 ARG 20 2HD ARG 20 -0.252 -19.947 12.383 167 HD3 ARG 20 3HD ARG 20 1.511 -19.937 12.357 168 HE ARG 20 HE ARG 20 -0.166 -19.996 14.661 169 HH11 ARG 20 1HH1 ARG 20 2.897 -18.865 13.454 170 HH12 ARG 20 2HH1 ARG 20 3.653 -18.850 15.013 171 HH21 ARG 20 1HH2 ARG 20 0.818 -19.980 16.719 172 HH22 ARG 20 2HH2 ARG 20 2.470 -19.485 16.869 173 H PHE 21 H PHE 21 -2.223 -14.675 10.514 174 HA PHE 21 HA PHE 21 0.202 -13.398 9.590 175 HB2 PHE 21 2HB PHE 21 -2.507 -12.136 10.034 176 HB3 PHE 21 3HB PHE 21 -1.194 -11.519 9.037 177 HD1 PHE 21 HD1 PHE 21 -0.583 -14.428 7.964 178 HD2 PHE 21 HD2 PHE 21 -4.060 -11.982 8.167 179 HE1 PHE 21 HE1 PHE 21 -1.516 -15.599 6.012 180 HE2 PHE 21 HE2 PHE 21 -4.999 -13.149 6.215 181 HZ PHE 21 HZ PHE 21 -3.727 -14.961 5.136 Start of MODEL 20 1 H1 GLY 1 H GLY 1 1.839 1.882 -2.030 2 HA2 GLY 1 2HA GLY 1 3.490 1.178 -0.598 3 HA3 GLY 1 3HA GLY 1 2.196 0.380 0.284 4 H SER 2 H SER 2 3.709 -1.294 0.797 5 HA SER 2 HA SER 2 4.003 -3.228 -1.399 6 HB2 SER 2 2HB SER 2 6.200 -3.907 -0.365 7 HB3 SER 2 3HB SER 2 6.201 -2.306 -1.105 8 HG SER 2 HG SER 2 6.812 -1.598 0.764 9 H LYS 3 H LYS 3 4.569 -3.031 2.119 10 HA LYS 3 HA LYS 3 3.126 -5.581 2.400 11 HB2 LYS 3 2HB LYS 3 5.252 -4.307 4.125 12 HB3 LYS 3 3HB LYS 3 4.334 -5.727 4.611 13 HG2 LYS 3 2HG LYS 3 5.772 -7.021 3.543 14 HG3 LYS 3 3HG LYS 3 5.375 -6.218 2.022 15 HD2 LYS 3 2HD LYS 3 7.045 -4.482 2.525 16 HD3 LYS 3 3HD LYS 3 7.459 -5.329 4.018 17 HE2 LYS 3 2HE LYS 3 8.437 -7.104 2.886 18 HE3 LYS 3 3HE LYS 3 7.573 -6.754 1.389 19 HZ1 LYS 3 1HZ LYS 3 9.052 -4.518 1.804 20 HZ2 LYS 3 2HZ LYS 3 9.456 -5.780 0.753 21 HZ3 LYS 3 3HZ LYS 3 10.093 -5.747 2.320 22 H LYS 4 H LYS 4 1.719 -5.853 4.220 23 HA LYS 4 HA LYS 4 0.899 -3.464 5.663 24 HB2 LYS 4 2HB LYS 4 -1.438 -3.652 5.028 25 HB3 LYS 4 3HB LYS 4 -0.446 -3.423 3.594 26 HG2 LYS 4 2HG LYS 4 -0.534 -5.894 3.237 27 HG3 LYS 4 3HG LYS 4 -1.704 -5.980 4.556 28 HD2 LYS 4 2HD LYS 4 -3.194 -4.474 3.331 29 HD3 LYS 4 3HD LYS 4 -2.022 -4.382 2.015 30 HE2 LYS 4 2HE LYS 4 -3.663 -5.962 1.357 31 HE3 LYS 4 3HE LYS 4 -2.227 -6.882 1.805 32 HZ1 LYS 4 1HZ LYS 4 -4.841 -6.806 3.053 33 HZ2 LYS 4 2HZ LYS 4 -3.536 -6.798 4.129 34 HZ3 LYS 4 3HZ LYS 4 -3.698 -8.053 3.006 35 HA PRO 5 HA PRO 5 0.521 -6.540 8.819 36 HB2 PRO 5 2HB PRO 5 -0.670 -4.975 10.690 37 HB3 PRO 5 3HB PRO 5 1.048 -4.858 10.293 38 HG2 PRO 5 2HG PRO 5 -1.230 -3.152 9.365 39 HG3 PRO 5 3HG PRO 5 0.390 -2.663 9.894 40 HD2 PRO 5 2HD PRO 5 -0.301 -2.830 7.282 41 HD3 PRO 5 3HD PRO 5 1.344 -3.168 7.858 42 H VAL 6 H VAL 6 -0.959 -8.078 9.146 43 HA VAL 6 HA VAL 6 -3.809 -7.368 8.914 44 HB VAL 6 HB VAL 6 -2.662 -9.990 7.966 45 HG11 VAL 6 1HG1 VAL 6 -4.832 -10.133 6.779 46 HG12 VAL 6 2HG1 VAL 6 -5.001 -10.088 8.535 47 HG13 VAL 6 3HG1 VAL 6 -5.331 -8.643 7.578 48 HG21 VAL 6 1HG2 VAL 6 -1.722 -8.186 6.614 49 HG22 VAL 6 2HG2 VAL 6 -2.876 -9.141 5.684 50 HG23 VAL 6 3HG2 VAL 6 -3.343 -7.560 6.312 51 HA PRO 7 HA PRO 7 -3.826 -9.215 12.973 52 HB2 PRO 7 2HB PRO 7 -6.478 -8.845 13.425 53 HB3 PRO 7 3HB PRO 7 -5.289 -7.543 13.559 54 HG2 PRO 7 2HG PRO 7 -7.142 -8.192 11.299 55 HG3 PRO 7 3HG PRO 7 -6.736 -6.612 11.995 56 HD2 PRO 7 2HD PRO 7 -5.622 -7.523 9.701 57 HD3 PRO 7 3HD PRO 7 -4.750 -6.470 10.833 58 H ILE 8 H ILE 8 -5.865 -10.109 10.272 59 HA ILE 8 HA ILE 8 -6.903 -12.486 11.505 60 HB ILE 8 HB ILE 8 -8.123 -12.827 9.594 61 HG12 ILE 8 2HG1 ILE 8 -5.647 -11.950 8.235 62 HG13 ILE 8 3HG1 ILE 8 -6.749 -13.262 7.833 63 HG21 ILE 8 1HG2 ILE 8 -7.471 -9.925 9.156 64 HG22 ILE 8 2HG2 ILE 8 -8.999 -10.758 8.873 65 HG23 ILE 8 3HG2 ILE 8 -8.432 -10.493 10.521 66 HD11 ILE 8 1HD1 ILE 8 -6.805 -11.655 6.075 67 HD12 ILE 8 2HD1 ILE 8 -8.335 -11.566 6.949 68 HD13 ILE 8 3HD1 ILE 8 -7.095 -10.341 7.216 69 H ILE 9 H ILE 9 -6.661 -14.562 9.979 70 HA ILE 9 HA ILE 9 -3.811 -14.940 9.369 71 HB ILE 9 HB ILE 9 -3.845 -17.155 10.404 72 HG12 ILE 9 2HG1 ILE 9 -5.774 -17.661 11.980 73 HG13 ILE 9 3HG1 ILE 9 -6.656 -16.367 11.176 74 HG21 ILE 9 1HG2 ILE 9 -3.965 -16.416 12.781 75 HG22 ILE 9 2HG2 ILE 9 -3.008 -15.358 11.745 76 HG23 ILE 9 3HG2 ILE 9 -4.639 -14.886 12.219 77 HD11 ILE 9 1HD1 ILE 9 -6.954 -17.570 9.271 78 HD12 ILE 9 2HD1 ILE 9 -5.475 -18.504 9.494 79 HD13 ILE 9 3HD1 ILE 9 -6.908 -18.881 10.450 80 H TYR 10 H TYR 10 -3.556 -17.239 8.317 81 HA TYR 10 HA TYR 10 -5.673 -17.486 6.282 82 HB2 TYR 10 2HB TYR 10 -3.222 -16.719 5.692 83 HB3 TYR 10 3HB TYR 10 -2.882 -18.443 5.788 84 HD1 TYR 10 HD1 TYR 10 -4.687 -15.831 3.947 85 HD2 TYR 10 HD2 TYR 10 -3.743 -19.976 4.130 86 HE1 TYR 10 HE1 TYR 10 -5.508 -16.113 1.646 87 HE2 TYR 10 HE2 TYR 10 -4.561 -20.269 1.829 88 HH TYR 10 HH TYR 10 -4.905 -18.877 -0.195 89 H CYS 11 H CYS 11 -6.324 -19.535 5.626 90 HA CYS 11 HA CYS 11 -5.211 -21.845 7.031 91 HB2 CYS 11 2HB CYS 11 -7.706 -20.613 7.705 92 HB3 CYS 11 3HB CYS 11 -8.028 -22.198 7.008 93 H ASN 12 H ASN 12 -4.498 -22.922 5.279 94 HA ASN 12 HA ASN 12 -6.048 -23.043 2.846 95 HB2 ASN 12 2HB ASN 12 -3.374 -23.165 3.347 96 HB3 ASN 12 3HB ASN 12 -3.754 -24.874 3.149 97 HD21 ASN 12 1HD2 ASN 12 -3.722 -25.635 1.164 98 HD22 ASN 12 2HD2 ASN 12 -3.852 -24.702 -0.285 99 H ARG 13 H ARG 13 -7.883 -24.214 3.088 100 HA ARG 13 HA ARG 13 -8.345 -26.405 4.681 101 HB2 ARG 13 2HB ARG 13 -9.541 -25.391 2.153 102 HB3 ARG 13 3HB ARG 13 -9.959 -27.028 2.644 103 HG2 ARG 13 2HG ARG 13 -10.880 -26.259 4.701 104 HG3 ARG 13 3HG ARG 13 -10.259 -24.629 4.432 105 HD2 ARG 13 2HD ARG 13 -12.310 -24.208 3.627 106 HD3 ARG 13 3HD ARG 13 -11.729 -25.029 2.178 107 HE ARG 13 HE ARG 13 -12.834 -26.846 4.084 108 HH11 ARG 13 1HH1 ARG 13 -13.633 -24.580 1.565 109 HH12 ARG 13 2HH1 ARG 13 -15.139 -25.343 1.176 110 HH21 ARG 13 1HH2 ARG 13 -14.814 -27.860 3.582 111 HH22 ARG 13 2HH2 ARG 13 -15.811 -27.208 2.325 112 H ARG 14 H ARG 14 -6.201 -27.465 4.501 113 HA ARG 14 HA ARG 14 -6.360 -29.646 2.572 114 HB2 ARG 14 2HB ARG 14 -3.885 -27.942 2.914 115 HB3 ARG 14 3HB ARG 14 -3.980 -29.423 1.969 116 HG2 ARG 14 2HG ARG 14 -5.530 -26.899 1.424 117 HG3 ARG 14 3HG ARG 14 -4.082 -27.428 0.564 118 HD2 ARG 14 2HD ARG 14 -5.195 -29.291 -0.364 119 HD3 ARG 14 3HD ARG 14 -6.558 -29.121 0.741 120 HE ARG 14 HE ARG 14 -6.293 -26.803 -0.854 121 HH11 ARG 14 1HH1 ARG 14 -7.315 -30.127 -1.007 122 HH12 ARG 14 2HH1 ARG 14 -8.440 -29.858 -2.296 123 HH21 ARG 14 1HH2 ARG 14 -7.772 -26.436 -2.552 124 HH22 ARG 14 2HH2 ARG 14 -8.699 -27.759 -3.175 125 H THR 15 H THR 15 -3.730 -30.626 3.182 126 HA THR 15 HA THR 15 -4.323 -32.046 5.579 127 HB THR 15 HB THR 15 -3.092 -33.212 3.897 128 HG1 THR 15 HG1 THR 15 -1.147 -32.632 5.882 129 HG21 THR 15 1HG2 THR 15 -0.534 -31.989 3.934 130 HG22 THR 15 2HG2 THR 15 -1.722 -30.728 3.606 131 HG23 THR 15 3HG2 THR 15 -1.644 -32.157 2.575 132 H GLY 16 H GLY 16 -4.537 -29.885 6.786 133 HA2 GLY 16 2HA GLY 16 -3.773 -28.617 8.543 134 HA3 GLY 16 3HA GLY 16 -2.377 -29.683 8.605 135 H LYS 17 H LYS 17 -3.621 -27.295 6.265 136 HA LYS 17 HA LYS 17 -0.931 -26.090 6.240 137 HB2 LYS 17 2HB LYS 17 -2.859 -26.723 4.075 138 HB3 LYS 17 3HB LYS 17 -1.979 -25.207 3.925 139 HG2 LYS 17 2HG LYS 17 0.080 -26.784 4.473 140 HG3 LYS 17 3HG LYS 17 -0.997 -27.998 3.779 141 HD2 LYS 17 2HD LYS 17 0.134 -27.255 1.910 142 HD3 LYS 17 3HD LYS 17 -1.305 -26.233 1.883 143 HE2 LYS 17 2HE LYS 17 0.001 -24.482 3.081 144 HE3 LYS 17 3HE LYS 17 1.433 -25.495 2.908 145 HZ1 LYS 17 1HZ LYS 17 1.385 -23.867 1.167 146 HZ2 LYS 17 2HZ LYS 17 -0.178 -24.323 0.706 147 HZ3 LYS 17 3HZ LYS 17 1.115 -25.392 0.484 148 H CYS 18 H CYS 18 -1.630 -24.782 8.062 149 HA CYS 18 HA CYS 18 -3.445 -22.598 7.278 150 HB2 CYS 18 2HB CYS 18 -3.779 -24.200 9.408 151 HB3 CYS 18 3HB CYS 18 -2.734 -22.984 10.136 152 H GLN 19 H GLN 19 -2.905 -20.450 8.041 153 HA GLN 19 HA GLN 19 -0.034 -20.066 8.556 154 HB2 GLN 19 2HB GLN 19 -1.475 -18.042 6.919 155 HB3 GLN 19 3HB GLN 19 0.217 -18.519 6.880 156 HG2 GLN 19 2HG GLN 19 -2.057 -20.183 5.824 157 HG3 GLN 19 3HG GLN 19 -1.031 -19.136 4.845 158 HE21 GLN 19 1HE2 GLN 19 -1.441 -22.025 4.716 159 HE22 GLN 19 2HE2 GLN 19 0.122 -22.737 4.899 160 H ARG 20 H ARG 20 0.443 -17.825 9.373 161 HA ARG 20 HA ARG 20 -1.782 -16.618 10.838 162 HB2 ARG 20 2HB ARG 20 0.664 -17.856 12.047 163 HB3 ARG 20 3HB ARG 20 -0.085 -16.468 12.826 164 HG2 ARG 20 2HG ARG 20 -2.116 -17.644 13.166 165 HG3 ARG 20 3HG ARG 20 -1.591 -18.974 12.131 166 HD2 ARG 20 2HD ARG 20 -0.229 -19.863 13.731 167 HD3 ARG 20 3HD ARG 20 0.103 -18.297 14.471 168 HE ARG 20 HE ARG 20 -2.576 -18.870 14.929 169 HH11 ARG 20 1HH1 ARG 20 0.541 -20.179 15.762 170 HH12 ARG 20 2HH1 ARG 20 0.005 -20.840 17.272 171 HH21 ARG 20 1HH2 ARG 20 -3.293 -19.736 16.914 172 HH22 ARG 20 2HH2 ARG 20 -2.176 -20.588 17.925 173 H PHE 21 H PHE 21 -1.771 -14.521 10.414 174 HA PHE 21 HA PHE 21 0.608 -13.236 9.388 175 HB2 PHE 21 2HB PHE 21 -2.081 -11.981 9.957 176 HB3 PHE 21 3HB PHE 21 -0.814 -11.358 8.905 177 HD1 PHE 21 HD1 PHE 21 -0.244 -14.258 7.793 178 HD2 PHE 21 HD2 PHE 21 -3.717 -11.826 8.163 179 HE1 PHE 21 HE1 PHE 21 -1.260 -15.424 5.879 180 HE2 PHE 21 HE2 PHE 21 -4.740 -12.989 6.251 181 HZ PHE 21 HZ PHE 21 -3.512 -14.791 5.106
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