NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637056 | 6q5z | 34335 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 14.312 -10.434 -8.625 2 H2 GLY 1 HT2 GLY 1 12.975 -10.288 -7.587 3 H3 GLY 1 HT3 GLY 1 13.993 -11.644 -7.482 4 HA2 GLY 1 HA2 GLY 1 15.053 -10.580 -5.861 5 HA3 GLY 1 HA1 GLY 1 15.714 -9.571 -7.148 6 H ALA 2 H ALA 2 13.428 -8.210 -7.962 7 HA ALA 2 HA ALA 2 13.302 -6.133 -6.042 8 HB1 ALA 2 HB1 ALA 2 12.974 -5.841 -8.506 9 HB2 ALA 2 HB2 ALA 2 11.719 -5.081 -7.528 10 HB3 ALA 2 HB3 ALA 2 11.395 -6.611 -8.341 11 H MET 3 H MET 3 11.736 -5.536 -4.601 12 HA MET 3 HA MET 3 10.221 -7.565 -3.354 13 HB2 MET 3 HB2 MET 3 10.112 -4.550 -3.156 14 HB3 MET 3 HB1 MET 3 9.155 -5.625 -2.132 15 HG2 MET 3 HG2 MET 3 11.298 -6.757 -1.445 16 HG3 MET 3 HG1 MET 3 12.177 -5.506 -2.326 17 HE1 MET 3 HE1 MET 3 12.332 -3.246 -1.905 18 HE2 MET 3 HE2 MET 3 11.757 -2.318 -0.522 19 HE3 MET 3 HE3 MET 3 10.631 -2.772 -1.797 20 H GLY 4 H GLY 4 9.350 -5.031 -5.669 21 HA2 GLY 4 HA2 GLY 4 7.582 -4.971 -7.167 22 HA3 GLY 4 HA1 GLY 4 7.068 -6.542 -6.563 23 H ASN 5 H ASN 5 7.589 -4.164 -4.147 24 HA ASN 5 HA ASN 5 4.758 -4.138 -3.511 25 HB2 ASN 5 HB2 ASN 5 5.426 -3.027 -1.480 26 HB3 ASN 5 HB1 ASN 5 6.544 -4.355 -1.778 27 HD21 ASN 5 HD21 ASN 5 7.429 -2.278 -0.139 28 HD22 ASN 5 HD22 ASN 5 8.584 -1.346 -0.962 29 H VAL 6 H VAL 6 3.948 -1.904 -2.667 30 HA VAL 6 HA VAL 6 4.711 0.266 -4.502 31 HB VAL 6 HB VAL 6 2.828 -0.912 -5.561 32 HG11 VAL 6 HG11 VAL 6 1.410 -1.956 -4.130 33 HG12 VAL 6 HG12 VAL 6 0.612 -0.386 -4.005 34 HG13 VAL 6 HG13 VAL 6 1.805 -0.865 -2.802 35 HG21 VAL 6 HG21 VAL 6 1.731 1.624 -4.343 36 HG22 VAL 6 HG22 VAL 6 1.489 0.996 -5.973 37 HG23 VAL 6 HG23 VAL 6 3.055 1.660 -5.507 38 H ASN 7 H ASN 7 3.906 2.390 -3.747 39 HA ASN 7 HA ASN 7 3.076 2.423 -0.920 40 HB2 ASN 7 HB2 ASN 7 5.365 4.049 -2.058 41 HB3 ASN 7 HB1 ASN 7 4.717 4.186 -0.423 42 HD21 ASN 7 HD21 ASN 7 7.413 3.117 -1.656 43 HD22 ASN 7 HD22 ASN 7 7.637 1.650 -0.831 44 H CYS 8 H CYS 8 1.836 4.251 -0.326 45 HA CYS 8 HA CYS 8 0.906 5.847 -2.634 46 HB2 CYS 8 HB2 CYS 8 -0.778 4.391 -1.400 47 HB3 CYS 8 HB1 CYS 8 -0.540 5.441 -0.008 48 H GLY 9 H GLY 9 0.904 8.075 -2.500 49 HA2 GLY 9 HA2 GLY 9 2.847 9.315 -0.910 50 HA3 GLY 9 HA1 GLY 9 1.578 10.161 -1.788 51 H GLY 10 H GLY 10 -0.655 9.022 -0.451 52 HA2 GLY 10 HA2 GLY 10 -0.778 10.729 1.834 53 HA3 GLY 10 HA1 GLY 10 -2.013 9.582 1.329 54 H VAL 11 H VAL 11 -0.419 7.214 1.413 55 HA VAL 11 HA VAL 11 0.529 7.035 4.184 56 HB VAL 11 HB VAL 11 -0.954 4.804 4.154 57 HG11 VAL 11 HG11 VAL 11 -2.492 5.925 5.595 58 HG12 VAL 11 HG12 VAL 11 -2.219 7.476 4.799 59 HG13 VAL 11 HG13 VAL 11 -0.953 6.764 5.799 60 HG21 VAL 11 HG21 VAL 11 -2.753 6.775 2.751 61 HG22 VAL 11 HG22 VAL 11 -2.990 5.046 2.999 62 HG23 VAL 11 HG23 VAL 11 -1.793 5.611 1.837 63 HA PRO 12 HA PRO 12 3.003 3.878 2.257 64 HB2 PRO 12 HB2 PRO 12 3.952 2.556 4.421 65 HB3 PRO 12 HB1 PRO 12 4.456 4.221 4.067 66 HG2 PRO 12 HG2 PRO 12 2.513 3.220 6.078 67 HG3 PRO 12 HG1 PRO 12 3.650 4.574 6.178 68 HD2 PRO 12 HD2 PRO 12 0.914 4.802 5.615 69 HD3 PRO 12 HD1 PRO 12 2.137 6.048 5.288 70 H CYS 13 H CYS 13 2.107 2.167 1.237 71 HA CYS 13 HA CYS 13 0.773 0.072 2.776 72 HB2 CYS 13 HB2 CYS 13 -0.956 1.799 2.098 73 HB3 CYS 13 HB1 CYS 13 -0.610 1.383 0.418 74 H LYS 14 H LYS 14 1.900 -1.664 2.153 75 HA LYS 14 HA LYS 14 3.426 -1.891 -0.188 76 HB2 LYS 14 HB2 LYS 14 2.312 -3.983 1.682 77 HB3 LYS 14 HB1 LYS 14 3.431 -4.354 0.367 78 HG2 LYS 14 HG2 LYS 14 5.075 -2.781 1.309 79 HG3 LYS 14 HG1 LYS 14 3.962 -2.391 2.619 80 HD2 LYS 14 HD2 LYS 14 3.991 -4.759 3.340 81 HD3 LYS 14 HD1 LYS 14 5.135 -5.129 2.050 82 HE2 LYS 14 HE2 LYS 14 5.619 -3.135 4.283 83 HE3 LYS 14 HE1 LYS 14 6.278 -4.769 4.227 84 HZ1 LYS 14 HZ1 LYS 14 7.075 -3.940 1.879 85 HZ2 LYS 14 HZ2 LYS 14 7.980 -3.632 3.283 86 HZ3 LYS 14 HZ3 LYS 14 6.981 -2.424 2.632 87 H PHE 15 H PHE 15 0.109 -3.002 0.472 88 HA PHE 15 HA PHE 15 -0.401 -3.078 -2.382 89 HB2 PHE 15 HB2 PHE 15 0.563 -5.295 -2.041 90 HB3 PHE 15 HB1 PHE 15 -0.580 -5.609 -0.733 91 HD1 PHE 15 HD1 PHE 15 -0.384 -4.756 -4.363 92 HD2 PHE 15 HD2 PHE 15 -2.737 -6.457 -1.198 93 HE1 PHE 15 HE1 PHE 15 -2.060 -5.518 -6.021 94 HE2 PHE 15 HE2 PHE 15 -4.415 -7.220 -2.856 95 HZ PHE 15 HZ PHE 15 -4.078 -6.750 -5.268 96 H GLY 16 H GLY 16 -2.463 -2.553 -2.806 97 HA2 GLY 16 HA2 GLY 16 -4.824 -3.243 -1.840 98 HA3 GLY 16 HA1 GLY 16 -4.278 -2.191 -0.537 99 H CYS 17 H CYS 17 -6.317 -1.043 -1.276 100 HA CYS 17 HA CYS 17 -5.837 0.638 -3.650 101 HB2 CYS 17 HB2 CYS 17 -8.352 0.203 -2.021 102 HB3 CYS 17 HB1 CYS 17 -8.229 1.216 -3.459 103 H CYS 18 H CYS 18 -5.253 2.707 -3.408 104 HA CYS 18 HA CYS 18 -5.343 3.850 -0.693 105 HB2 CYS 18 HB2 CYS 18 -3.124 3.718 -1.758 106 HB3 CYS 18 HB1 CYS 18 -3.717 4.691 -3.104 107 H ARG 19 H ARG 19 -7.008 5.127 -0.316 108 HA ARG 19 HA ARG 19 -7.770 7.130 -2.325 109 HB2 ARG 19 HB2 ARG 19 -9.630 5.207 -0.936 110 HB3 ARG 19 HB1 ARG 19 -10.183 6.709 -1.687 111 HG2 ARG 19 HG2 ARG 19 -9.248 6.042 -3.825 112 HG3 ARG 19 HG1 ARG 19 -8.547 4.596 -3.103 113 HD2 ARG 19 HD2 ARG 19 -10.752 3.692 -2.653 114 HD3 ARG 19 HD1 ARG 19 -11.515 5.186 -3.203 115 HE ARG 19 HE ARG 19 -9.880 4.295 -5.270 116 HH11 ARG 19 HH11 ARG 19 -12.690 3.205 -3.514 117 HH12 ARG 19 HH12 ARG 19 -13.336 2.322 -4.852 118 HH21 ARG 19 HH21 ARG 19 -10.760 3.143 -7.013 119 HH22 ARG 19 HH22 ARG 19 -12.255 2.289 -6.823 120 H GLU 20 H GLU 20 -8.543 9.070 -1.441 121 HA GLU 20 HA GLU 20 -8.536 10.762 0.122 122 HB2 GLU 20 HB2 GLU 20 -9.795 8.520 1.714 123 HB3 GLU 20 HB1 GLU 20 -9.780 10.210 2.221 124 HG2 GLU 20 HG2 GLU 20 -10.978 10.853 0.176 125 HG3 GLU 20 HG1 GLU 20 -10.968 9.177 -0.368 126 H ASP 21 H ASP 21 -6.066 9.449 -0.093 127 HA ASP 21 HA ASP 21 -4.057 9.205 0.989 128 HB2 ASP 21 HB2 ASP 21 -5.485 11.064 2.894 129 HB3 ASP 21 HB1 ASP 21 -3.786 10.628 3.059 130 H ARG 22 H ARG 22 -6.043 7.183 1.439 131 HA ARG 22 HA ARG 22 -4.953 6.052 3.905 132 HB2 ARG 22 HB2 ARG 22 -7.025 7.101 4.657 133 HB3 ARG 22 HB1 ARG 22 -7.923 6.311 3.364 134 HG2 ARG 22 HG2 ARG 22 -8.225 5.093 5.474 135 HG3 ARG 22 HG1 ARG 22 -7.332 4.098 4.327 136 HD2 ARG 22 HD2 ARG 22 -5.223 4.676 5.411 137 HD3 ARG 22 HD1 ARG 22 -6.053 5.787 6.496 138 HE ARG 22 HE ARG 22 -7.271 3.322 6.848 139 HH11 ARG 22 HH11 ARG 22 -4.072 4.670 7.159 140 HH12 ARG 22 HH12 ARG 22 -3.606 3.582 8.421 141 HH21 ARG 22 HH21 ARG 22 -6.636 1.908 8.495 142 HH22 ARG 22 HH22 ARG 22 -5.048 2.026 9.173 143 H CYS 23 H CYS 23 -4.483 3.929 3.645 144 HA CYS 23 HA CYS 23 -5.304 2.668 1.128 145 HB2 CYS 23 HB2 CYS 23 -2.917 2.635 1.635 146 HB3 CYS 23 HB1 CYS 23 -3.232 1.837 3.179 147 H ARG 24 H ARG 24 -6.933 1.295 1.072 148 HA ARG 24 HA ARG 24 -7.704 -0.116 3.555 149 HB2 ARG 24 HB2 ARG 24 -9.376 1.545 2.736 150 HB3 ARG 24 HB1 ARG 24 -9.476 0.649 1.220 151 HG2 ARG 24 HG2 ARG 24 -10.098 -1.399 2.572 152 HG3 ARG 24 HG1 ARG 24 -10.209 -0.350 3.986 153 HD2 ARG 24 HD2 ARG 24 -11.790 -0.016 1.424 154 HD3 ARG 24 HD1 ARG 24 -12.421 -0.681 2.923 155 HE ARG 24 HE ARG 24 -11.884 2.115 2.347 156 HH11 ARG 24 HH11 ARG 24 -12.458 -0.312 4.791 157 HH12 ARG 24 HH12 ARG 24 -13.008 0.832 5.963 158 HH21 ARG 24 HH21 ARG 24 -12.586 3.586 3.911 159 HH22 ARG 24 HH22 ARG 24 -13.079 3.023 5.473 160 H GLU 25 H GLU 25 -7.716 -2.290 3.504 161 HA GLU 25 HA GLU 25 -7.365 -3.596 0.870 162 HB2 GLU 25 HB2 GLU 25 -6.457 -4.412 3.639 163 HB3 GLU 25 HB1 GLU 25 -6.403 -5.492 2.247 164 HG2 GLU 25 HG2 GLU 25 -4.911 -3.995 1.065 165 HG3 GLU 25 HG1 GLU 25 -5.072 -2.772 2.325 166 H ILE 26 H ILE 26 -9.733 -3.377 0.746 167 HA ILE 26 HA ILE 26 -11.113 -5.740 1.056 168 HB ILE 26 HB ILE 26 -11.016 -5.491 3.487 169 HG12 ILE 26 HG12 ILE 26 -13.776 -4.659 2.580 170 HG13 ILE 26 HG11 ILE 26 -13.134 -6.282 2.326 171 HG21 ILE 26 HG21 ILE 26 -12.187 -2.759 2.921 172 HG22 ILE 26 HG22 ILE 26 -10.639 -3.114 3.688 173 HG23 ILE 26 HG23 ILE 26 -12.145 -3.492 4.524 174 HD11 ILE 26 HD11 ILE 26 -14.441 -5.387 4.615 175 HD12 ILE 26 HD12 ILE 26 -12.736 -5.365 5.069 176 HD13 ILE 26 HD13 ILE 26 -13.474 -6.856 4.482 177 H ASP 27 H ASP 27 -13.242 -5.585 0.235 178 HA ASP 27 HA ASP 27 -14.886 -4.672 -1.089 179 HB2 ASP 27 HB2 ASP 27 -14.353 -2.386 0.816 180 HB3 ASP 27 HB1 ASP 27 -15.673 -2.384 -0.352 181 H CYS 28 H CYS 28 -12.228 -4.520 -2.138 182 HA CYS 28 HA CYS 28 -12.647 -2.332 -4.028 183 HB2 CYS 28 HB2 CYS 28 -11.201 -1.357 -2.268 184 HB3 CYS 28 HB1 CYS 28 -10.031 -2.649 -2.539 185 H ASP 29 H ASP 29 -12.176 -2.951 -6.048 186 HA ASP 29 HA ASP 29 -11.463 -5.611 -6.656 187 HB2 ASP 29 HB2 ASP 29 -12.743 -4.095 -8.164 188 HB3 ASP 29 HB1 ASP 29 -11.265 -3.179 -8.447 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 15.829 -11.387 -3.979 2 H2 GLY 1 HT2 GLY 1 17.180 -12.265 -4.517 3 H3 GLY 1 HT3 GLY 1 16.037 -11.687 -5.635 4 HA2 GLY 1 HA2 GLY 1 18.094 -10.201 -4.142 5 HA3 GLY 1 HA1 GLY 1 17.721 -10.151 -5.866 6 H ALA 2 H ALA 2 17.342 -7.950 -6.021 7 HA ALA 2 HA ALA 2 15.792 -6.434 -4.208 8 HB1 ALA 2 HB1 ALA 2 17.082 -5.080 -5.559 9 HB2 ALA 2 HB2 ALA 2 15.533 -4.957 -6.392 10 HB3 ALA 2 HB3 ALA 2 16.779 -6.047 -7.003 11 H MET 3 H MET 3 13.651 -5.882 -4.167 12 HA MET 3 HA MET 3 11.882 -7.175 -6.148 13 HB2 MET 3 HB2 MET 3 11.439 -7.047 -3.154 14 HB3 MET 3 HB1 MET 3 10.300 -7.699 -4.333 15 HG2 MET 3 HG2 MET 3 13.112 -8.742 -3.872 16 HG3 MET 3 HG1 MET 3 11.643 -9.487 -3.247 17 HE1 MET 3 HE1 MET 3 13.706 -11.239 -5.937 18 HE2 MET 3 HE2 MET 3 12.307 -12.104 -5.304 19 HE3 MET 3 HE3 MET 3 13.271 -11.095 -4.227 20 H GLY 4 H GLY 4 9.940 -6.092 -6.594 21 HA2 GLY 4 HA2 GLY 4 10.087 -3.227 -6.333 22 HA3 GLY 4 HA1 GLY 4 8.821 -4.142 -7.147 23 H ASN 5 H ASN 5 8.031 -2.014 -5.701 24 HA ASN 5 HA ASN 5 6.393 -3.250 -3.661 25 HB2 ASN 5 HB2 ASN 5 7.053 -1.666 -1.880 26 HB3 ASN 5 HB1 ASN 5 8.372 -2.741 -2.339 27 HD21 ASN 5 HD21 ASN 5 9.810 -0.982 -1.424 28 HD22 ASN 5 HD22 ASN 5 10.192 0.347 -2.409 29 H VAL 6 H VAL 6 5.025 -1.421 -2.567 30 HA VAL 6 HA VAL 6 4.307 0.574 -4.628 31 HB VAL 6 HB VAL 6 2.395 -0.991 -2.896 32 HG11 VAL 6 HG11 VAL 6 0.737 0.108 -4.524 33 HG12 VAL 6 HG12 VAL 6 2.057 1.207 -4.927 34 HG13 VAL 6 HG13 VAL 6 1.441 1.139 -3.277 35 HG21 VAL 6 HG21 VAL 6 2.317 -2.533 -4.547 36 HG22 VAL 6 HG22 VAL 6 3.670 -1.709 -5.323 37 HG23 VAL 6 HG23 VAL 6 2.013 -1.271 -5.742 38 H ASN 7 H ASN 7 3.888 2.592 -3.898 39 HA ASN 7 HA ASN 7 3.631 3.017 -1.001 40 HB2 ASN 7 HB2 ASN 7 5.576 4.505 -2.782 41 HB3 ASN 7 HB1 ASN 7 5.239 4.879 -1.092 42 HD21 ASN 7 HD21 ASN 7 7.654 3.591 -2.751 43 HD22 ASN 7 HD22 ASN 7 8.127 2.323 -1.727 44 H CYS 8 H CYS 8 2.123 4.501 -0.483 45 HA CYS 8 HA CYS 8 1.005 6.110 -2.691 46 HB2 CYS 8 HB2 CYS 8 -0.523 4.410 -1.541 47 HB3 CYS 8 HB1 CYS 8 -0.416 5.428 -0.109 48 H GLY 9 H GLY 9 0.646 8.319 -2.349 49 HA2 GLY 9 HA2 GLY 9 2.533 9.674 -0.793 50 HA3 GLY 9 HA1 GLY 9 1.103 10.409 -1.505 51 H GLY 10 H GLY 10 -0.872 8.938 -0.097 52 HA2 GLY 10 HA2 GLY 10 -0.982 10.455 2.318 53 HA3 GLY 10 HA1 GLY 10 -2.124 9.212 1.818 54 H VAL 11 H VAL 11 -0.307 7.048 1.595 55 HA VAL 11 HA VAL 11 0.962 6.749 4.213 56 HB VAL 11 HB VAL 11 -0.397 4.427 4.196 57 HG11 VAL 11 HG11 VAL 11 -1.817 5.365 5.907 58 HG12 VAL 11 HG12 VAL 11 -1.586 6.999 5.278 59 HG13 VAL 11 HG13 VAL 11 -0.239 6.144 6.036 60 HG21 VAL 11 HG21 VAL 11 -1.634 5.221 2.137 61 HG22 VAL 11 HG22 VAL 11 -2.387 6.455 3.150 62 HG23 VAL 11 HG23 VAL 11 -2.665 4.748 3.484 63 HA PRO 12 HA PRO 12 3.311 3.894 1.715 64 HB2 PRO 12 HB2 PRO 12 4.652 2.509 3.615 65 HB3 PRO 12 HB1 PRO 12 4.996 4.224 3.316 66 HG2 PRO 12 HG2 PRO 12 3.428 2.964 5.503 67 HG3 PRO 12 HG1 PRO 12 4.498 4.374 5.548 68 HD2 PRO 12 HD2 PRO 12 1.707 4.484 5.402 69 HD3 PRO 12 HD1 PRO 12 2.804 5.816 4.981 70 H CYS 13 H CYS 13 2.360 2.179 0.716 71 HA CYS 13 HA CYS 13 1.235 0.020 2.370 72 HB2 CYS 13 HB2 CYS 13 -0.543 1.699 1.706 73 HB3 CYS 13 HB1 CYS 13 -0.249 1.236 0.030 74 H LYS 14 H LYS 14 2.231 -1.785 1.746 75 HA LYS 14 HA LYS 14 3.709 -2.091 -0.626 76 HB2 LYS 14 HB2 LYS 14 2.610 -4.104 1.336 77 HB3 LYS 14 HB1 LYS 14 3.660 -4.546 -0.011 78 HG2 LYS 14 HG2 LYS 14 5.343 -2.888 0.826 79 HG3 LYS 14 HG1 LYS 14 4.318 -2.621 2.235 80 HD2 LYS 14 HD2 LYS 14 5.369 -5.347 1.433 81 HD3 LYS 14 HD1 LYS 14 6.178 -4.297 2.594 82 HE2 LYS 14 HE2 LYS 14 4.121 -4.264 3.979 83 HE3 LYS 14 HE1 LYS 14 3.351 -5.367 2.839 84 HZ1 LYS 14 HZ1 LYS 14 4.234 -6.647 4.618 85 HZ2 LYS 14 HZ2 LYS 14 5.752 -5.889 4.499 86 HZ3 LYS 14 HZ3 LYS 14 5.215 -6.925 3.264 87 H PHE 15 H PHE 15 0.390 -3.086 0.174 88 HA PHE 15 HA PHE 15 -0.269 -3.146 -2.635 89 HB2 PHE 15 HB2 PHE 15 0.736 -5.365 -2.401 90 HB3 PHE 15 HB1 PHE 15 -0.346 -5.725 -1.054 91 HD1 PHE 15 HD1 PHE 15 -0.276 -4.845 -4.678 92 HD2 PHE 15 HD2 PHE 15 -2.557 -6.493 -1.432 93 HE1 PHE 15 HE1 PHE 15 -2.028 -5.572 -6.277 94 HE2 PHE 15 HE2 PHE 15 -4.308 -7.221 -3.033 95 HZ PHE 15 HZ PHE 15 -4.042 -6.760 -5.455 96 H GLY 16 H GLY 16 -2.330 -2.547 -2.895 97 HA2 GLY 16 HA2 GLY 16 -4.633 -3.316 -1.793 98 HA3 GLY 16 HA1 GLY 16 -4.010 -2.263 -0.526 99 H CYS 17 H CYS 17 -6.161 -1.199 -1.195 100 HA CYS 17 HA CYS 17 -5.830 0.523 -3.561 101 HB2 CYS 17 HB2 CYS 17 -8.229 0.107 -1.763 102 HB3 CYS 17 HB1 CYS 17 -8.200 1.059 -3.246 103 H CYS 18 H CYS 18 -5.283 2.623 -3.344 104 HA CYS 18 HA CYS 18 -5.179 3.711 -0.607 105 HB2 CYS 18 HB2 CYS 18 -3.054 3.640 -1.886 106 HB3 CYS 18 HB1 CYS 18 -3.779 4.685 -3.107 107 H ARG 19 H ARG 19 -6.914 4.853 -0.104 108 HA ARG 19 HA ARG 19 -7.816 6.952 -1.953 109 HB2 ARG 19 HB2 ARG 19 -9.642 5.008 -0.510 110 HB3 ARG 19 HB1 ARG 19 -10.175 6.431 -1.406 111 HG2 ARG 19 HG2 ARG 19 -9.238 5.538 -3.473 112 HG3 ARG 19 HG1 ARG 19 -8.567 4.157 -2.603 113 HD2 ARG 19 HD2 ARG 19 -10.632 3.453 -3.658 114 HD3 ARG 19 HD1 ARG 19 -10.893 3.527 -1.919 115 HE ARG 19 HE ARG 19 -11.599 6.008 -3.098 116 HH11 ARG 19 HH11 ARG 19 -12.655 2.692 -2.860 117 HH12 ARG 19 HH12 ARG 19 -14.327 3.085 -3.062 118 HH21 ARG 19 HH21 ARG 19 -13.793 6.492 -3.332 119 HH22 ARG 19 HH22 ARG 19 -14.969 5.223 -3.328 120 H GLU 20 H GLU 20 -8.695 8.783 -0.905 121 HA GLU 20 HA GLU 20 -8.701 10.368 0.768 122 HB2 GLU 20 HB2 GLU 20 -9.638 7.932 2.302 123 HB3 GLU 20 HB1 GLU 20 -9.681 9.577 2.939 124 HG2 GLU 20 HG2 GLU 20 -11.128 10.282 1.093 125 HG3 GLU 20 HG1 GLU 20 -11.046 8.669 0.388 126 H ASP 21 H ASP 21 -6.191 9.239 0.227 127 HA ASP 21 HA ASP 21 -4.064 9.101 1.064 128 HB2 ASP 21 HB2 ASP 21 -5.392 10.741 3.223 129 HB3 ASP 21 HB1 ASP 21 -3.658 10.426 3.176 130 H ARG 22 H ARG 22 -5.988 6.964 1.721 131 HA ARG 22 HA ARG 22 -4.491 5.803 3.976 132 HB2 ARG 22 HB2 ARG 22 -7.507 5.843 3.694 133 HB3 ARG 22 HB1 ARG 22 -6.632 4.820 4.835 134 HG2 ARG 22 HG2 ARG 22 -5.639 6.822 5.878 135 HG3 ARG 22 HG1 ARG 22 -6.505 7.849 4.735 136 HD2 ARG 22 HD2 ARG 22 -8.654 6.977 5.582 137 HD3 ARG 22 HD1 ARG 22 -7.785 5.965 6.734 138 HE ARG 22 HE ARG 22 -6.948 8.625 7.100 139 HH11 ARG 22 HH11 ARG 22 -9.810 6.662 7.448 140 HH12 ARG 22 HH12 ARG 22 -10.446 7.614 8.745 141 HH21 ARG 22 HH21 ARG 22 -7.791 9.835 8.806 142 HH22 ARG 22 HH22 ARG 22 -9.309 9.401 9.514 143 H CYS 23 H CYS 23 -4.179 3.563 3.811 144 HA CYS 23 HA CYS 23 -4.980 2.424 1.210 145 HB2 CYS 23 HB2 CYS 23 -2.561 2.480 1.554 146 HB3 CYS 23 HB1 CYS 23 -2.737 1.588 3.070 147 H ARG 24 H ARG 24 -6.547 0.978 1.197 148 HA ARG 24 HA ARG 24 -7.152 -0.479 3.695 149 HB2 ARG 24 HB2 ARG 24 -8.990 0.939 2.892 150 HB3 ARG 24 HB1 ARG 24 -8.947 0.122 1.328 151 HG2 ARG 24 HG2 ARG 24 -9.512 -2.012 2.393 152 HG3 ARG 24 HG1 ARG 24 -9.485 -1.248 3.981 153 HD2 ARG 24 HD2 ARG 24 -11.794 -1.441 3.192 154 HD3 ARG 24 HD1 ARG 24 -11.324 0.257 3.269 155 HE ARG 24 HE ARG 24 -10.820 -0.825 0.676 156 HH11 ARG 24 HH11 ARG 24 -13.363 0.299 2.784 157 HH12 ARG 24 HH12 ARG 24 -14.401 0.759 1.480 158 HH21 ARG 24 HH21 ARG 24 -12.197 -0.201 -1.006 159 HH22 ARG 24 HH22 ARG 24 -13.747 0.485 -0.649 160 H GLU 25 H GLU 25 -7.042 -2.650 3.733 161 HA GLU 25 HA GLU 25 -6.693 -4.052 1.146 162 HB2 GLU 25 HB2 GLU 25 -5.357 -4.664 3.799 163 HB3 GLU 25 HB1 GLU 25 -5.204 -5.629 2.332 164 HG2 GLU 25 HG2 GLU 25 -4.208 -3.722 1.153 165 HG3 GLU 25 HG1 GLU 25 -4.399 -2.717 2.591 166 H ILE 26 H ILE 26 -9.071 -4.187 1.369 167 HA ILE 26 HA ILE 26 -9.987 -6.704 1.993 168 HB ILE 26 HB ILE 26 -9.599 -6.314 4.359 169 HG12 ILE 26 HG12 ILE 26 -12.550 -5.896 3.883 170 HG13 ILE 26 HG11 ILE 26 -11.745 -7.427 3.531 171 HG21 ILE 26 HG21 ILE 26 -10.492 -4.433 5.546 172 HG22 ILE 26 HG22 ILE 26 -11.431 -3.917 4.147 173 HG23 ILE 26 HG23 ILE 26 -9.673 -3.780 4.126 174 HD11 ILE 26 HD11 ILE 26 -12.230 -7.906 5.706 175 HD12 ILE 26 HD12 ILE 26 -12.418 -6.207 6.140 176 HD13 ILE 26 HD13 ILE 26 -10.807 -6.920 6.044 177 H ASP 27 H ASP 27 -11.808 -6.910 0.877 178 HA ASP 27 HA ASP 27 -13.658 -6.354 -0.373 179 HB2 ASP 27 HB2 ASP 27 -14.061 -4.663 2.098 180 HB3 ASP 27 HB1 ASP 27 -15.290 -4.877 0.852 181 H CYS 28 H CYS 28 -11.318 -4.860 -1.128 182 HA CYS 28 HA CYS 28 -11.826 -2.090 -1.348 183 HB2 CYS 28 HB2 CYS 28 -9.604 -3.009 -1.786 184 HB3 CYS 28 HB1 CYS 28 -10.228 -3.881 -3.191 185 H ASP 29 H ASP 29 -12.478 -4.762 -3.606 186 HA ASP 29 HA ASP 29 -13.625 -3.247 -5.665 187 HB2 ASP 29 HB2 ASP 29 -14.057 -6.100 -4.782 188 HB3 ASP 29 HB1 ASP 29 -14.842 -5.421 -6.205 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 19.317 -10.790 -5.967 2 H2 GLY 1 HT2 GLY 1 18.695 -9.863 -7.247 3 H3 GLY 1 HT3 GLY 1 18.875 -11.544 -7.420 4 HA2 GLY 1 HA2 GLY 1 16.565 -11.029 -7.056 5 HA3 GLY 1 HA1 GLY 1 17.219 -11.898 -5.668 6 H ALA 2 H ALA 2 15.195 -9.503 -6.336 7 HA ALA 2 HA ALA 2 15.688 -8.169 -3.781 8 HB1 ALA 2 HB1 ALA 2 16.426 -6.980 -6.247 9 HB2 ALA 2 HB2 ALA 2 16.406 -6.234 -4.649 10 HB3 ALA 2 HB3 ALA 2 14.980 -6.143 -5.683 11 H MET 3 H MET 3 13.838 -7.109 -2.938 12 HA MET 3 HA MET 3 11.317 -7.985 -4.206 13 HB2 MET 3 HB2 MET 3 11.740 -8.945 -1.980 14 HB3 MET 3 HB1 MET 3 11.896 -7.320 -1.309 15 HG2 MET 3 HG2 MET 3 9.581 -6.812 -1.963 16 HG3 MET 3 HG1 MET 3 9.415 -8.422 -2.661 17 HE1 MET 3 HE1 MET 3 10.733 -10.524 -0.234 18 HE2 MET 3 HE2 MET 3 9.761 -10.396 -1.698 19 HE3 MET 3 HE3 MET 3 8.995 -10.850 -0.179 20 H GLY 4 H GLY 4 9.984 -6.476 -4.976 21 HA2 GLY 4 HA2 GLY 4 10.612 -3.664 -4.618 22 HA3 GLY 4 HA1 GLY 4 9.352 -4.334 -5.652 23 H ASN 5 H ASN 5 8.458 -2.250 -4.441 24 HA ASN 5 HA ASN 5 6.566 -3.273 -2.495 25 HB2 ASN 5 HB2 ASN 5 7.085 -1.562 -0.797 26 HB3 ASN 5 HB1 ASN 5 8.434 -2.668 -1.042 27 HD21 ASN 5 HD21 ASN 5 9.700 -0.758 -0.086 28 HD22 ASN 5 HD22 ASN 5 10.220 0.454 -1.155 29 H VAL 6 H VAL 6 5.134 -1.342 -1.731 30 HA VAL 6 HA VAL 6 4.679 0.475 -4.022 31 HB VAL 6 HB VAL 6 2.572 -0.862 -2.325 32 HG11 VAL 6 HG11 VAL 6 2.572 1.399 -4.169 33 HG12 VAL 6 HG12 VAL 6 1.330 0.881 -3.026 34 HG13 VAL 6 HG13 VAL 6 1.413 0.151 -4.629 35 HG21 VAL 6 HG21 VAL 6 2.670 -2.592 -3.764 36 HG22 VAL 6 HG22 VAL 6 4.019 -1.821 -4.598 37 HG23 VAL 6 HG23 VAL 6 2.364 -1.488 -5.104 38 H ASN 7 H ASN 7 4.273 2.573 -3.500 39 HA ASN 7 HA ASN 7 3.811 3.227 -0.667 40 HB2 ASN 7 HB2 ASN 7 5.823 4.655 -2.419 41 HB3 ASN 7 HB1 ASN 7 5.464 4.997 -0.725 42 HD21 ASN 7 HD21 ASN 7 5.561 2.712 0.621 43 HD22 ASN 7 HD22 ASN 7 6.996 1.844 0.359 44 H CYS 8 H CYS 8 2.152 4.600 -0.424 45 HA CYS 8 HA CYS 8 1.208 6.048 -2.809 46 HB2 CYS 8 HB2 CYS 8 -0.385 4.520 -1.525 47 HB3 CYS 8 HB1 CYS 8 -0.298 5.686 -0.210 48 H GLY 9 H GLY 9 0.938 8.279 -2.768 49 HA2 GLY 9 HA2 GLY 9 2.782 9.772 -1.292 50 HA3 GLY 9 HA1 GLY 9 1.405 10.448 -2.157 51 H GLY 10 H GLY 10 -0.680 9.208 -0.673 52 HA2 GLY 10 HA2 GLY 10 -0.824 11.002 1.542 53 HA3 GLY 10 HA1 GLY 10 -1.987 9.744 1.150 54 H VAL 11 H VAL 11 -0.280 7.498 1.256 55 HA VAL 11 HA VAL 11 0.872 7.487 3.956 56 HB VAL 11 HB VAL 11 -0.466 5.211 4.183 57 HG11 VAL 11 HG11 VAL 11 -2.313 6.508 5.323 58 HG12 VAL 11 HG12 VAL 11 -1.573 7.986 4.700 59 HG13 VAL 11 HG13 VAL 11 -0.683 6.960 5.827 60 HG21 VAL 11 HG21 VAL 11 -2.526 6.852 2.735 61 HG22 VAL 11 HG22 VAL 11 -2.507 5.121 3.061 62 HG23 VAL 11 HG23 VAL 11 -1.448 5.794 1.824 63 HA PRO 12 HA PRO 12 3.323 4.315 1.990 64 HB2 PRO 12 HB2 PRO 12 4.457 3.127 4.134 65 HB3 PRO 12 HB1 PRO 12 4.870 4.799 3.698 66 HG2 PRO 12 HG2 PRO 12 3.073 3.789 5.846 67 HG3 PRO 12 HG1 PRO 12 4.173 5.178 5.852 68 HD2 PRO 12 HD2 PRO 12 1.407 5.314 5.431 69 HD3 PRO 12 HD1 PRO 12 2.572 6.583 4.993 70 H CYS 13 H CYS 13 2.400 2.512 1.111 71 HA CYS 13 HA CYS 13 1.131 0.553 2.898 72 HB2 CYS 13 HB2 CYS 13 -0.591 2.160 1.985 73 HB3 CYS 13 HB1 CYS 13 -0.202 1.560 0.374 74 H LYS 14 H LYS 14 2.086 -1.343 2.499 75 HA LYS 14 HA LYS 14 3.721 -1.895 0.284 76 HB2 LYS 14 HB2 LYS 14 3.909 -3.095 2.414 77 HB3 LYS 14 HB1 LYS 14 2.332 -3.837 2.144 78 HG2 LYS 14 HG2 LYS 14 3.171 -4.918 0.103 79 HG3 LYS 14 HG1 LYS 14 4.744 -4.156 0.334 80 HD2 LYS 14 HD2 LYS 14 5.031 -5.339 2.465 81 HD3 LYS 14 HD1 LYS 14 3.432 -6.067 2.290 82 HE2 LYS 14 HE2 LYS 14 5.153 -7.657 1.567 83 HE3 LYS 14 HE1 LYS 14 4.182 -7.151 0.182 84 HZ1 LYS 14 HZ1 LYS 14 6.938 -6.933 0.505 85 HZ2 LYS 14 HZ2 LYS 14 6.315 -5.353 0.527 86 HZ3 LYS 14 HZ3 LYS 14 5.996 -6.376 -0.791 87 H PHE 15 H PHE 15 0.340 -2.855 0.926 88 HA PHE 15 HA PHE 15 -0.161 -2.992 -1.918 89 HB2 PHE 15 HB2 PHE 15 0.845 -5.189 -1.567 90 HB3 PHE 15 HB1 PHE 15 -0.285 -5.515 -0.251 91 HD1 PHE 15 HD1 PHE 15 -0.118 -4.715 -3.894 92 HD2 PHE 15 HD2 PHE 15 -2.438 -6.394 -0.689 93 HE1 PHE 15 HE1 PHE 15 -1.789 -5.535 -5.532 94 HE2 PHE 15 HE2 PHE 15 -4.110 -7.214 -2.329 95 HZ PHE 15 HZ PHE 15 -3.785 -6.782 -4.751 96 H GLY 16 H GLY 16 -2.197 -2.408 -2.312 97 HA2 GLY 16 HA2 GLY 16 -4.550 -3.189 -1.275 98 HA3 GLY 16 HA1 GLY 16 -4.015 -2.013 -0.080 99 H CYS 17 H CYS 17 -6.064 -0.946 -0.833 100 HA CYS 17 HA CYS 17 -5.718 0.507 -3.378 101 HB2 CYS 17 HB2 CYS 17 -8.143 0.253 -1.576 102 HB3 CYS 17 HB1 CYS 17 -8.098 1.083 -3.132 103 H CYS 18 H CYS 18 -5.105 2.607 -3.336 104 HA CYS 18 HA CYS 18 -5.068 3.948 -0.710 105 HB2 CYS 18 HB2 CYS 18 -2.916 3.741 -1.944 106 HB3 CYS 18 HB1 CYS 18 -3.608 4.697 -3.254 107 H ARG 19 H ARG 19 -6.810 5.142 -0.352 108 HA ARG 19 HA ARG 19 -7.660 7.065 -2.411 109 HB2 ARG 19 HB2 ARG 19 -9.507 5.257 -0.830 110 HB3 ARG 19 HB1 ARG 19 -10.034 6.602 -1.843 111 HG2 ARG 19 HG2 ARG 19 -9.055 5.539 -3.819 112 HG3 ARG 19 HG1 ARG 19 -8.429 4.225 -2.824 113 HD2 ARG 19 HD2 ARG 19 -10.495 3.496 -3.886 114 HD3 ARG 19 HD1 ARG 19 -10.764 3.667 -2.154 115 HE ARG 19 HE ARG 19 -11.420 6.091 -3.481 116 HH11 ARG 19 HH11 ARG 19 -12.538 2.816 -3.039 117 HH12 ARG 19 HH12 ARG 19 -14.202 3.232 -3.252 118 HH21 ARG 19 HH21 ARG 19 -13.608 6.602 -3.750 119 HH22 ARG 19 HH22 ARG 19 -14.806 5.354 -3.659 120 H GLU 20 H GLU 20 -8.535 8.994 -1.568 121 HA GLU 20 HA GLU 20 -8.566 10.734 -0.057 122 HB2 GLU 20 HB2 GLU 20 -9.628 8.470 1.644 123 HB3 GLU 20 HB1 GLU 20 -9.662 10.166 2.130 124 HG2 GLU 20 HG2 GLU 20 -11.008 10.735 0.167 125 HG3 GLU 20 HG1 GLU 20 -10.924 9.067 -0.398 126 H ASP 21 H ASP 21 -6.046 9.543 -0.357 127 HA ASP 21 HA ASP 21 -3.975 9.417 0.618 128 HB2 ASP 21 HB2 ASP 21 -5.362 11.322 2.509 129 HB3 ASP 21 HB1 ASP 21 -3.640 10.956 2.593 130 H ARG 22 H ARG 22 -5.926 7.394 1.315 131 HA ARG 22 HA ARG 22 -4.659 6.422 3.778 132 HB2 ARG 22 HB2 ARG 22 -6.785 7.443 4.495 133 HB3 ARG 22 HB1 ARG 22 -7.653 6.451 3.325 134 HG2 ARG 22 HG2 ARG 22 -6.931 4.411 4.452 135 HG3 ARG 22 HG1 ARG 22 -5.948 5.350 5.576 136 HD2 ARG 22 HD2 ARG 22 -7.964 6.464 6.430 137 HD3 ARG 22 HD1 ARG 22 -8.961 5.561 5.296 138 HE ARG 22 HE ARG 22 -7.785 4.562 7.754 139 HH11 ARG 22 HH11 ARG 22 -9.133 3.762 4.636 140 HH12 ARG 22 HH12 ARG 22 -9.569 2.157 5.105 141 HH21 ARG 22 HH21 ARG 22 -8.375 2.463 8.339 142 HH22 ARG 22 HH22 ARG 22 -9.144 1.424 7.188 143 H CYS 23 H CYS 23 -4.150 4.280 3.643 144 HA CYS 23 HA CYS 23 -4.996 2.891 1.202 145 HB2 CYS 23 HB2 CYS 23 -2.590 2.957 1.603 146 HB3 CYS 23 HB1 CYS 23 -2.812 2.210 3.188 147 H ARG 24 H ARG 24 -6.584 1.476 1.274 148 HA ARG 24 HA ARG 24 -7.286 0.234 3.861 149 HB2 ARG 24 HB2 ARG 24 -9.042 1.632 2.740 150 HB3 ARG 24 HB1 ARG 24 -9.017 0.493 1.394 151 HG2 ARG 24 HG2 ARG 24 -9.511 -1.340 3.028 152 HG3 ARG 24 HG1 ARG 24 -9.723 -0.108 4.272 153 HD2 ARG 24 HD2 ARG 24 -11.432 0.980 2.751 154 HD3 ARG 24 HD1 ARG 24 -11.320 -0.453 1.729 155 HE ARG 24 HE ARG 24 -11.805 -1.263 4.375 156 HH11 ARG 24 HH11 ARG 24 -13.364 0.413 1.750 157 HH12 ARG 24 HH12 ARG 24 -14.956 -0.059 2.232 158 HH21 ARG 24 HH21 ARG 24 -13.898 -1.884 4.978 159 HH22 ARG 24 HH22 ARG 24 -15.259 -1.357 4.044 160 H GLU 25 H GLU 25 -7.231 -1.945 4.063 161 HA GLU 25 HA GLU 25 -6.674 -3.520 1.613 162 HB2 GLU 25 HB2 GLU 25 -5.615 -3.839 4.426 163 HB3 GLU 25 HB1 GLU 25 -5.466 -5.091 3.192 164 HG2 GLU 25 HG2 GLU 25 -4.181 -3.619 1.764 165 HG3 GLU 25 HG1 GLU 25 -4.477 -2.250 2.835 166 H ILE 26 H ILE 26 -9.070 -3.611 1.550 167 HA ILE 26 HA ILE 26 -10.088 -6.084 2.223 168 HB ILE 26 HB ILE 26 -10.014 -5.508 4.584 169 HG12 ILE 26 HG12 ILE 26 -12.871 -5.120 3.692 170 HG13 ILE 26 HG11 ILE 26 -12.049 -6.675 3.546 171 HG21 ILE 26 HG21 ILE 26 -10.174 -3.336 5.165 172 HG22 ILE 26 HG22 ILE 26 -11.901 -3.428 4.817 173 HG23 ILE 26 HG23 ILE 26 -10.775 -2.912 3.562 174 HD11 ILE 26 HD11 ILE 26 -12.294 -7.096 5.748 175 HD12 ILE 26 HD12 ILE 26 -13.364 -5.695 5.817 176 HD13 ILE 26 HD13 ILE 26 -11.647 -5.514 6.182 177 H ASP 27 H ASP 27 -12.064 -6.410 1.301 178 HA ASP 27 HA ASP 27 -13.797 -6.014 -0.146 179 HB2 ASP 27 HB2 ASP 27 -13.990 -3.596 1.655 180 HB3 ASP 27 HB1 ASP 27 -15.209 -4.018 0.451 181 H CYS 28 H CYS 28 -11.230 -5.177 -1.126 182 HA CYS 28 HA CYS 28 -12.173 -3.235 -3.101 183 HB2 CYS 28 HB2 CYS 28 -11.030 -1.886 -1.366 184 HB3 CYS 28 HB1 CYS 28 -9.570 -2.847 -1.605 185 H ASP 29 H ASP 29 -11.560 -3.787 -5.098 186 HA ASP 29 HA ASP 29 -9.307 -5.683 -5.390 187 HB2 ASP 29 HB2 ASP 29 -11.990 -5.676 -6.777 188 HB3 ASP 29 HB1 ASP 29 -10.603 -6.581 -7.378 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 8.015 -12.553 -11.698 2 H2 GLY 1 HT2 GLY 1 7.454 -12.145 -13.249 3 H3 GLY 1 HT3 GLY 1 6.542 -13.180 -12.257 4 HA2 GLY 1 HA2 GLY 1 5.911 -10.670 -12.485 5 HA3 GLY 1 HA1 GLY 1 5.765 -11.504 -10.938 6 H ALA 2 H ALA 2 6.386 -8.647 -11.708 7 HA ALA 2 HA ALA 2 9.065 -8.018 -11.105 8 HB1 ALA 2 HB1 ALA 2 6.600 -6.603 -11.551 9 HB2 ALA 2 HB2 ALA 2 8.257 -6.022 -11.717 10 HB3 ALA 2 HB3 ALA 2 7.436 -5.913 -10.160 11 H MET 3 H MET 3 6.211 -8.402 -9.049 12 HA MET 3 HA MET 3 5.962 -8.524 -6.769 13 HB2 MET 3 HB2 MET 3 8.762 -9.626 -7.079 14 HB3 MET 3 HB1 MET 3 7.869 -9.645 -5.557 15 HG2 MET 3 HG2 MET 3 6.006 -10.850 -6.756 16 HG3 MET 3 HG1 MET 3 7.074 -10.984 -8.154 17 HE1 MET 3 HE1 MET 3 9.259 -11.569 -8.087 18 HE2 MET 3 HE2 MET 3 9.423 -13.305 -7.849 19 HE3 MET 3 HE3 MET 3 10.185 -12.194 -6.715 20 H GLY 4 H GLY 4 6.669 -5.978 -7.753 21 HA2 GLY 4 HA2 GLY 4 8.776 -4.890 -6.092 22 HA3 GLY 4 HA1 GLY 4 7.721 -3.981 -7.170 23 H ASN 5 H ASN 5 8.101 -2.720 -4.939 24 HA ASN 5 HA ASN 5 5.888 -3.408 -3.108 25 HB2 ASN 5 HB2 ASN 5 8.323 -1.664 -2.672 26 HB3 ASN 5 HB1 ASN 5 7.052 -1.950 -1.482 27 HD21 ASN 5 HD21 ASN 5 10.067 -2.815 -1.733 28 HD22 ASN 5 HD22 ASN 5 10.009 -4.472 -1.365 29 H VAL 6 H VAL 6 4.236 -1.996 -2.772 30 HA VAL 6 HA VAL 6 4.152 0.362 -4.525 31 HB VAL 6 HB VAL 6 1.939 -0.903 -2.893 32 HG11 VAL 6 HG11 VAL 6 0.944 1.067 -3.362 33 HG12 VAL 6 HG12 VAL 6 0.832 0.461 -5.015 34 HG13 VAL 6 HG13 VAL 6 2.175 1.506 -4.549 35 HG21 VAL 6 HG21 VAL 6 1.527 -1.246 -5.670 36 HG22 VAL 6 HG22 VAL 6 1.887 -2.502 -4.484 37 HG23 VAL 6 HG23 VAL 6 3.198 -1.718 -5.365 38 H ASN 7 H ASN 7 3.794 2.428 -3.760 39 HA ASN 7 HA ASN 7 3.604 2.812 -0.852 40 HB2 ASN 7 HB2 ASN 7 5.639 4.218 -2.600 41 HB3 ASN 7 HB1 ASN 7 5.358 4.524 -0.887 42 HD21 ASN 7 HD21 ASN 7 7.635 3.144 -2.684 43 HD22 ASN 7 HD22 ASN 7 8.042 1.800 -1.732 44 H CYS 8 H CYS 8 2.105 4.341 -0.358 45 HA CYS 8 HA CYS 8 1.157 6.043 -2.577 46 HB2 CYS 8 HB2 CYS 8 -0.478 4.423 -1.461 47 HB3 CYS 8 HB1 CYS 8 -0.366 5.448 -0.035 48 H GLY 9 H GLY 9 0.943 8.257 -2.273 49 HA2 GLY 9 HA2 GLY 9 2.845 9.516 -0.660 50 HA3 GLY 9 HA1 GLY 9 1.495 10.327 -1.441 51 H GLY 10 H GLY 10 -0.627 9.012 -0.104 52 HA2 GLY 10 HA2 GLY 10 -0.741 10.574 2.280 53 HA3 GLY 10 HA1 GLY 10 -1.938 9.397 1.751 54 H VAL 11 H VAL 11 -0.250 7.128 1.615 55 HA VAL 11 HA VAL 11 0.873 6.782 4.296 56 HB VAL 11 HB VAL 11 -0.560 4.510 4.196 57 HG11 VAL 11 HG11 VAL 11 -0.473 6.209 6.043 58 HG12 VAL 11 HG12 VAL 11 -2.077 5.516 5.797 59 HG13 VAL 11 HG13 VAL 11 -1.712 7.134 5.193 60 HG21 VAL 11 HG21 VAL 11 -2.412 6.596 3.010 61 HG22 VAL 11 HG22 VAL 11 -2.773 4.903 3.339 62 HG23 VAL 11 HG23 VAL 11 -1.641 5.328 2.057 63 HA PRO 12 HA PRO 12 3.246 3.867 1.900 64 HB2 PRO 12 HB2 PRO 12 4.486 2.464 3.855 65 HB3 PRO 12 HB1 PRO 12 4.873 4.173 3.567 66 HG2 PRO 12 HG2 PRO 12 3.201 2.944 5.698 67 HG3 PRO 12 HG1 PRO 12 4.292 4.337 5.777 68 HD2 PRO 12 HD2 PRO 12 1.504 4.491 5.517 69 HD3 PRO 12 HD1 PRO 12 2.643 5.804 5.151 70 H CYS 13 H CYS 13 2.300 2.178 0.870 71 HA CYS 13 HA CYS 13 1.122 0.015 2.470 72 HB2 CYS 13 HB2 CYS 13 -0.647 1.707 1.843 73 HB3 CYS 13 HB1 CYS 13 -0.342 1.302 0.154 74 H LYS 14 H LYS 14 2.273 -1.695 1.822 75 HA LYS 14 HA LYS 14 3.688 -1.916 -0.582 76 HB2 LYS 14 HB2 LYS 14 2.715 -4.014 1.357 77 HB3 LYS 14 HB1 LYS 14 3.768 -4.374 -0.012 78 HG2 LYS 14 HG2 LYS 14 5.436 -2.770 0.832 79 HG3 LYS 14 HG1 LYS 14 4.383 -2.387 2.196 80 HD2 LYS 14 HD2 LYS 14 4.495 -4.730 2.951 81 HD3 LYS 14 HD1 LYS 14 5.541 -5.124 1.585 82 HE2 LYS 14 HE2 LYS 14 7.222 -3.514 2.409 83 HE3 LYS 14 HE1 LYS 14 6.176 -3.124 3.775 84 HZ1 LYS 14 HZ1 LYS 14 7.734 -4.732 4.509 85 HZ2 LYS 14 HZ2 LYS 14 7.451 -5.729 3.163 86 HZ3 LYS 14 HZ3 LYS 14 6.249 -5.535 4.348 87 H PHE 15 H PHE 15 0.438 -3.092 0.257 88 HA PHE 15 HA PHE 15 -0.201 -3.231 -2.572 89 HB2 PHE 15 HB2 PHE 15 0.752 -5.435 -2.232 90 HB3 PHE 15 HB1 PHE 15 -0.289 -5.703 -0.831 91 HD1 PHE 15 HD1 PHE 15 -0.357 -4.988 -4.495 92 HD2 PHE 15 HD2 PHE 15 -2.485 -6.538 -1.106 93 HE1 PHE 15 HE1 PHE 15 -2.148 -5.813 -5.999 94 HE2 PHE 15 HE2 PHE 15 -4.275 -7.364 -2.607 95 HZ PHE 15 HZ PHE 15 -4.108 -7.003 -5.054 96 H GLY 16 H GLY 16 -2.257 -2.635 -2.907 97 HA2 GLY 16 HA2 GLY 16 -4.594 -3.290 -1.836 98 HA3 GLY 16 HA1 GLY 16 -3.978 -2.223 -0.578 99 H CYS 17 H CYS 17 -6.066 -1.101 -1.300 100 HA CYS 17 HA CYS 17 -5.627 0.583 -3.684 101 HB2 CYS 17 HB2 CYS 17 -8.112 0.194 -1.985 102 HB3 CYS 17 HB1 CYS 17 -8.010 1.159 -3.459 103 H CYS 18 H CYS 18 -5.106 2.696 -3.458 104 HA CYS 18 HA CYS 18 -5.069 3.777 -0.713 105 HB2 CYS 18 HB2 CYS 18 -2.898 3.713 -1.878 106 HB3 CYS 18 HB1 CYS 18 -3.568 4.713 -3.169 107 H ARG 19 H ARG 19 -6.779 4.961 -0.249 108 HA ARG 19 HA ARG 19 -7.643 7.050 -2.129 109 HB2 ARG 19 HB2 ARG 19 -9.471 5.118 -0.677 110 HB3 ARG 19 HB1 ARG 19 -10.013 6.551 -1.551 111 HG2 ARG 19 HG2 ARG 19 -9.083 5.674 -3.636 112 HG3 ARG 19 HG1 ARG 19 -8.437 4.272 -2.783 113 HD2 ARG 19 HD2 ARG 19 -10.531 3.652 -3.864 114 HD3 ARG 19 HD1 ARG 19 -10.752 3.648 -2.117 115 HE ARG 19 HE ARG 19 -11.444 6.186 -3.216 116 HH11 ARG 19 HH11 ARG 19 -12.548 2.897 -2.897 117 HH12 ARG 19 HH12 ARG 19 -14.221 3.323 -2.985 118 HH21 ARG 19 HH21 ARG 19 -13.642 6.713 -3.346 119 HH22 ARG 19 HH22 ARG 19 -14.839 5.467 -3.250 120 H GLU 20 H GLU 20 -8.474 8.910 -1.122 121 HA GLU 20 HA GLU 20 -8.477 10.524 0.518 122 HB2 GLU 20 HB2 GLU 20 -9.481 8.203 2.183 123 HB3 GLU 20 HB1 GLU 20 -9.662 9.912 2.574 124 HG2 GLU 20 HG2 GLU 20 -10.751 8.600 0.067 125 HG3 GLU 20 HG1 GLU 20 -11.704 8.954 1.507 126 H ASP 21 H ASP 21 -5.983 9.331 0.102 127 HA ASP 21 HA ASP 21 -3.897 9.151 1.030 128 HB2 ASP 21 HB2 ASP 21 -5.266 10.848 3.118 129 HB3 ASP 21 HB1 ASP 21 -3.546 10.472 3.160 130 H ARG 22 H ARG 22 -5.881 7.065 1.604 131 HA ARG 22 HA ARG 22 -4.531 5.877 3.934 132 HB2 ARG 22 HB2 ARG 22 -7.526 6.000 3.505 133 HB3 ARG 22 HB1 ARG 22 -6.738 4.946 4.681 134 HG2 ARG 22 HG2 ARG 22 -5.738 6.912 5.783 135 HG3 ARG 22 HG1 ARG 22 -6.515 7.971 4.605 136 HD2 ARG 22 HD2 ARG 22 -8.729 7.172 5.342 137 HD3 ARG 22 HD1 ARG 22 -7.958 6.119 6.523 138 HE ARG 22 HE ARG 22 -7.045 8.742 6.959 139 HH11 ARG 22 HH11 ARG 22 -9.994 6.887 7.135 140 HH12 ARG 22 HH12 ARG 22 -10.659 7.848 8.411 141 HH21 ARG 22 HH21 ARG 22 -7.930 9.967 8.630 142 HH22 ARG 22 HH22 ARG 22 -9.497 9.577 9.258 143 H CYS 23 H CYS 23 -4.332 3.601 3.810 144 HA CYS 23 HA CYS 23 -5.022 2.503 1.159 145 HB2 CYS 23 HB2 CYS 23 -2.627 2.508 1.573 146 HB3 CYS 23 HB1 CYS 23 -2.862 1.633 3.091 147 H ARG 24 H ARG 24 -6.537 1.016 1.036 148 HA ARG 24 HA ARG 24 -7.187 -0.560 3.457 149 HB2 ARG 24 HB2 ARG 24 -8.938 1.111 2.845 150 HB3 ARG 24 HB1 ARG 24 -9.113 0.304 1.288 151 HG2 ARG 24 HG2 ARG 24 -9.605 -1.822 2.524 152 HG3 ARG 24 HG1 ARG 24 -9.601 -0.888 4.021 153 HD2 ARG 24 HD2 ARG 24 -11.367 0.591 3.025 154 HD3 ARG 24 HD1 ARG 24 -11.441 -0.508 1.650 155 HE ARG 24 HE ARG 24 -11.754 -1.981 4.026 156 HH11 ARG 24 HH11 ARG 24 -13.409 0.370 2.057 157 HH12 ARG 24 HH12 ARG 24 -14.983 -0.158 2.538 158 HH21 ARG 24 HH21 ARG 24 -13.832 -2.671 4.619 159 HH22 ARG 24 HH22 ARG 24 -15.223 -1.865 3.974 160 H GLU 25 H GLU 25 -7.319 -2.737 3.221 161 HA GLU 25 HA GLU 25 -7.075 -3.812 0.470 162 HB2 GLU 25 HB2 GLU 25 -4.981 -4.054 1.804 163 HB3 GLU 25 HB1 GLU 25 -5.886 -4.996 2.991 164 HG2 GLU 25 HG2 GLU 25 -6.472 -6.645 1.266 165 HG3 GLU 25 HG1 GLU 25 -5.616 -5.694 0.052 166 H ILE 26 H ILE 26 -9.449 -3.770 0.639 167 HA ILE 26 HA ILE 26 -10.602 -6.256 0.910 168 HB ILE 26 HB ILE 26 -10.281 -6.273 3.283 169 HG12 ILE 26 HG12 ILE 26 -13.103 -5.265 2.901 170 HG13 ILE 26 HG11 ILE 26 -12.587 -6.860 2.351 171 HG21 ILE 26 HG21 ILE 26 -9.853 -4.211 4.145 172 HG22 ILE 26 HG22 ILE 26 -11.594 -4.172 4.424 173 HG23 ILE 26 HG23 ILE 26 -10.914 -3.403 2.991 174 HD11 ILE 26 HD11 ILE 26 -12.297 -5.857 5.197 175 HD12 ILE 26 HD12 ILE 26 -11.945 -7.484 4.616 176 HD13 ILE 26 HD13 ILE 26 -13.608 -6.895 4.638 177 H ASP 27 H ASP 27 -12.653 -6.228 0.095 178 HA ASP 27 HA ASP 27 -14.458 -5.369 -1.046 179 HB2 ASP 27 HB2 ASP 27 -15.006 -4.895 1.385 180 HB3 ASP 27 HB1 ASP 27 -14.435 -3.251 1.105 181 H CYS 28 H CYS 28 -11.995 -4.515 -2.096 182 HA CYS 28 HA CYS 28 -12.395 -1.664 -2.712 183 HB2 CYS 28 HB2 CYS 28 -10.129 -2.335 -2.030 184 HB3 CYS 28 HB1 CYS 28 -10.071 -3.494 -3.358 185 H ASP 29 H ASP 29 -13.496 -1.160 -4.486 186 HA ASP 29 HA ASP 29 -13.749 -3.158 -6.634 187 HB2 ASP 29 HB2 ASP 29 -15.819 -2.172 -5.621 188 HB3 ASP 29 HB1 ASP 29 -15.313 -0.600 -6.234 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 15.347 -13.324 -9.772 2 H2 GLY 1 HT2 GLY 1 14.360 -12.688 -8.545 3 H3 GLY 1 HT3 GLY 1 15.781 -11.877 -9.001 4 HA2 GLY 1 HA2 GLY 1 14.663 -11.822 -11.333 5 HA3 GLY 1 HA1 GLY 1 13.194 -12.019 -10.377 6 H ALA 2 H ALA 2 12.466 -10.328 -9.099 7 HA ALA 2 HA ALA 2 14.134 -7.961 -8.767 8 HB1 ALA 2 HB1 ALA 2 13.196 -7.409 -10.885 9 HB2 ALA 2 HB2 ALA 2 12.263 -6.507 -9.691 10 HB3 ALA 2 HB3 ALA 2 11.597 -7.976 -10.404 11 H MET 3 H MET 3 13.307 -6.478 -7.212 12 HA MET 3 HA MET 3 11.041 -7.492 -5.610 13 HB2 MET 3 HB2 MET 3 13.742 -6.575 -4.595 14 HB3 MET 3 HB1 MET 3 12.331 -6.825 -3.564 15 HG2 MET 3 HG2 MET 3 12.195 -9.179 -4.447 16 HG3 MET 3 HG1 MET 3 13.729 -8.902 -5.272 17 HE1 MET 3 HE1 MET 3 16.364 -8.963 -3.347 18 HE2 MET 3 HE2 MET 3 15.820 -7.458 -2.609 19 HE3 MET 3 HE3 MET 3 15.491 -7.764 -4.313 20 H GLY 4 H GLY 4 9.791 -5.929 -4.596 21 HA2 GLY 4 HA2 GLY 4 10.438 -3.182 -4.405 22 HA3 GLY 4 HA1 GLY 4 9.497 -3.455 -5.869 23 H ASN 5 H ASN 5 8.190 -1.878 -4.336 24 HA ASN 5 HA ASN 5 5.987 -3.462 -3.303 25 HB2 ASN 5 HB2 ASN 5 5.973 -2.366 -1.103 26 HB3 ASN 5 HB1 ASN 5 7.436 -3.320 -1.336 27 HD21 ASN 5 HD21 ASN 5 8.272 -1.779 0.430 28 HD22 ASN 5 HD22 ASN 5 8.907 -0.287 -0.068 29 H VAL 6 H VAL 6 4.291 -1.821 -2.327 30 HA VAL 6 HA VAL 6 4.041 0.332 -4.326 31 HB VAL 6 HB VAL 6 1.929 -0.862 -2.516 32 HG11 VAL 6 HG11 VAL 6 1.874 1.137 -4.779 33 HG12 VAL 6 HG12 VAL 6 1.285 1.349 -3.129 34 HG13 VAL 6 HG13 VAL 6 0.431 0.279 -4.241 35 HG21 VAL 6 HG21 VAL 6 1.827 -2.565 -3.990 36 HG22 VAL 6 HG22 VAL 6 3.141 -1.855 -4.929 37 HG23 VAL 6 HG23 VAL 6 1.470 -1.405 -5.272 38 H ASN 7 H ASN 7 3.640 2.453 -3.717 39 HA ASN 7 HA ASN 7 3.565 3.062 -0.840 40 HB2 ASN 7 HB2 ASN 7 5.475 4.362 -2.802 41 HB3 ASN 7 HB1 ASN 7 5.245 4.840 -1.118 42 HD21 ASN 7 HD21 ASN 7 7.572 3.453 -2.745 43 HD22 ASN 7 HD22 ASN 7 8.017 2.172 -1.723 44 H CYS 8 H CYS 8 1.988 4.522 -0.407 45 HA CYS 8 HA CYS 8 0.925 6.054 -2.700 46 HB2 CYS 8 HB2 CYS 8 -0.605 4.430 -1.425 47 HB3 CYS 8 HB1 CYS 8 -0.520 5.575 -0.090 48 H GLY 9 H GLY 9 0.670 8.275 -2.530 49 HA2 GLY 9 HA2 GLY 9 2.543 9.681 -1.002 50 HA3 GLY 9 HA1 GLY 9 1.166 10.408 -1.822 51 H GLY 10 H GLY 10 -0.901 9.072 -0.376 52 HA2 GLY 10 HA2 GLY 10 -1.054 10.773 1.915 53 HA3 GLY 10 HA1 GLY 10 -2.203 9.512 1.480 54 H VAL 11 H VAL 11 -0.411 7.315 1.449 55 HA VAL 11 HA VAL 11 0.782 7.195 4.117 56 HB VAL 11 HB VAL 11 -0.559 4.864 4.206 57 HG11 VAL 11 HG11 VAL 11 -0.498 6.635 5.957 58 HG12 VAL 11 HG12 VAL 11 -2.109 5.941 5.754 59 HG13 VAL 11 HG13 VAL 11 -1.734 7.524 5.069 60 HG21 VAL 11 HG21 VAL 11 -2.787 5.077 3.365 61 HG22 VAL 11 HG22 VAL 11 -1.724 5.548 2.041 62 HG23 VAL 11 HG23 VAL 11 -2.555 6.783 2.985 63 HA PRO 12 HA PRO 12 3.252 4.257 1.824 64 HB2 PRO 12 HB2 PRO 12 4.627 3.060 3.831 65 HB3 PRO 12 HB1 PRO 12 4.945 4.744 3.365 66 HG2 PRO 12 HG2 PRO 12 3.414 3.678 5.682 67 HG3 PRO 12 HG1 PRO 12 4.464 5.102 5.578 68 HD2 PRO 12 HD2 PRO 12 1.677 5.169 5.465 69 HD3 PRO 12 HD1 PRO 12 2.749 6.457 4.878 70 H CYS 13 H CYS 13 2.341 2.450 0.980 71 HA CYS 13 HA CYS 13 1.279 0.401 2.805 72 HB2 CYS 13 HB2 CYS 13 -0.534 2.002 2.050 73 HB3 CYS 13 HB1 CYS 13 -0.259 1.427 0.407 74 H LYS 14 H LYS 14 2.459 -1.348 2.301 75 HA LYS 14 HA LYS 14 3.865 -1.787 -0.070 76 HB2 LYS 14 HB2 LYS 14 4.345 -2.982 2.014 77 HB3 LYS 14 HB1 LYS 14 2.804 -3.831 1.895 78 HG2 LYS 14 HG2 LYS 14 3.509 -4.849 -0.230 79 HG3 LYS 14 HG1 LYS 14 5.039 -3.977 -0.147 80 HD2 LYS 14 HD2 LYS 14 5.604 -5.139 1.945 81 HD3 LYS 14 HD1 LYS 14 4.065 -6.000 1.892 82 HE2 LYS 14 HE2 LYS 14 4.710 -7.035 -0.250 83 HE3 LYS 14 HE1 LYS 14 6.244 -6.167 -0.212 84 HZ1 LYS 14 HZ1 LYS 14 7.061 -7.486 1.417 85 HZ2 LYS 14 HZ2 LYS 14 5.987 -8.607 0.726 86 HZ3 LYS 14 HZ3 LYS 14 5.547 -7.759 2.132 87 H PHE 15 H PHE 15 0.653 -3.026 0.883 88 HA PHE 15 HA PHE 15 -0.053 -3.250 -1.930 89 HB2 PHE 15 HB2 PHE 15 0.982 -5.416 -1.554 90 HB3 PHE 15 HB1 PHE 15 -0.014 -5.675 -0.121 91 HD1 PHE 15 HD1 PHE 15 -0.165 -5.135 -3.807 92 HD2 PHE 15 HD2 PHE 15 -2.219 -6.535 -0.304 93 HE1 PHE 15 HE1 PHE 15 -1.969 -6.056 -5.235 94 HE2 PHE 15 HE2 PHE 15 -4.025 -7.459 -1.732 95 HZ PHE 15 HZ PHE 15 -3.900 -7.219 -4.199 96 H GLY 16 H GLY 16 -2.118 -2.713 -2.229 97 HA2 GLY 16 HA2 GLY 16 -4.404 -3.421 -1.022 98 HA3 GLY 16 HA1 GLY 16 -3.797 -2.198 0.093 99 H CYS 17 H CYS 17 -5.963 -1.259 -0.675 100 HA CYS 17 HA CYS 17 -5.672 0.183 -3.235 101 HB2 CYS 17 HB2 CYS 17 -8.096 -0.138 -1.437 102 HB3 CYS 17 HB1 CYS 17 -8.075 0.641 -3.019 103 H CYS 18 H CYS 18 -5.137 2.304 -3.193 104 HA CYS 18 HA CYS 18 -5.205 3.662 -0.578 105 HB2 CYS 18 HB2 CYS 18 -3.005 3.548 -1.676 106 HB3 CYS 18 HB1 CYS 18 -3.664 4.389 -3.080 107 H ARG 19 H ARG 19 -6.800 5.009 -0.224 108 HA ARG 19 HA ARG 19 -7.640 6.909 -2.256 109 HB2 ARG 19 HB2 ARG 19 -9.056 4.767 -2.490 110 HB3 ARG 19 HB1 ARG 19 -9.765 5.222 -0.941 111 HG2 ARG 19 HG2 ARG 19 -11.208 6.229 -2.496 112 HG3 ARG 19 HG1 ARG 19 -10.119 7.546 -2.060 113 HD2 ARG 19 HD2 ARG 19 -8.727 7.054 -4.033 114 HD3 ARG 19 HD1 ARG 19 -9.815 5.745 -4.477 115 HE ARG 19 HE ARG 19 -10.293 8.584 -4.788 116 HH11 ARG 19 HH11 ARG 19 -11.702 5.401 -4.608 117 HH12 ARG 19 HH12 ARG 19 -13.122 5.852 -5.483 118 HH21 ARG 19 HH21 ARG 19 -12.144 9.139 -5.953 119 HH22 ARG 19 HH22 ARG 19 -13.372 7.952 -6.246 120 H GLU 20 H GLU 20 -8.529 8.778 -1.343 121 HA GLU 20 HA GLU 20 -8.856 10.354 0.305 122 HB2 GLU 20 HB2 GLU 20 -9.785 7.946 1.893 123 HB3 GLU 20 HB1 GLU 20 -10.109 9.635 2.289 124 HG2 GLU 20 HG2 GLU 20 -10.948 8.298 -0.296 125 HG3 GLU 20 HG1 GLU 20 -12.008 8.525 1.092 126 H ASP 21 H ASP 21 -6.263 9.225 0.045 127 HA ASP 21 HA ASP 21 -4.230 9.177 1.096 128 HB2 ASP 21 HB2 ASP 21 -5.800 10.851 3.056 129 HB3 ASP 21 HB1 ASP 21 -4.064 10.575 3.192 130 H ARG 22 H ARG 22 -6.172 7.019 1.634 131 HA ARG 22 HA ARG 22 -4.881 5.973 4.066 132 HB2 ARG 22 HB2 ARG 22 -7.848 5.882 3.458 133 HB3 ARG 22 HB1 ARG 22 -7.062 4.934 4.721 134 HG2 ARG 22 HG2 ARG 22 -6.273 7.002 5.800 135 HG3 ARG 22 HG1 ARG 22 -7.035 7.962 4.530 136 HD2 ARG 22 HD2 ARG 22 -9.239 7.046 5.158 137 HD3 ARG 22 HD1 ARG 22 -8.480 6.089 6.428 138 HE ARG 22 HE ARG 22 -7.760 8.772 6.825 139 HH11 ARG 22 HH11 ARG 22 -10.594 6.739 6.884 140 HH12 ARG 22 HH12 ARG 22 -11.407 7.705 8.066 141 HH21 ARG 22 HH21 ARG 22 -8.850 10.023 8.353 142 HH22 ARG 22 HH22 ARG 22 -10.430 9.558 8.889 143 H CYS 23 H CYS 23 -4.607 3.691 4.063 144 HA CYS 23 HA CYS 23 -5.141 2.440 1.439 145 HB2 CYS 23 HB2 CYS 23 -2.742 2.752 1.774 146 HB3 CYS 23 HB1 CYS 23 -2.830 1.883 3.312 147 H ARG 24 H ARG 24 -6.422 0.745 1.424 148 HA ARG 24 HA ARG 24 -6.905 -0.691 3.966 149 HB2 ARG 24 HB2 ARG 24 -8.856 0.628 3.080 150 HB3 ARG 24 HB1 ARG 24 -8.833 -0.406 1.652 151 HG2 ARG 24 HG2 ARG 24 -9.072 -2.390 3.144 152 HG3 ARG 24 HG1 ARG 24 -9.236 -1.294 4.515 153 HD2 ARG 24 HD2 ARG 24 -11.168 -0.212 3.327 154 HD3 ARG 24 HD1 ARG 24 -11.057 -1.479 2.105 155 HE ARG 24 HE ARG 24 -11.202 -2.662 4.654 156 HH11 ARG 24 HH11 ARG 24 -13.150 -0.847 2.409 157 HH12 ARG 24 HH12 ARG 24 -14.637 -1.547 2.948 158 HH21 ARG 24 HH21 ARG 24 -13.156 -3.564 5.341 159 HH22 ARG 24 HH22 ARG 24 -14.642 -3.076 4.600 160 H GLU 25 H GLU 25 -6.699 -2.883 3.959 161 HA GLU 25 HA GLU 25 -6.202 -4.176 1.342 162 HB2 GLU 25 HB2 GLU 25 -4.122 -3.946 2.684 163 HB3 GLU 25 HB1 GLU 25 -4.887 -4.866 3.983 164 HG2 GLU 25 HG2 GLU 25 -5.169 -6.788 2.481 165 HG3 GLU 25 HG1 GLU 25 -4.463 -5.870 1.154 166 H ILE 26 H ILE 26 -8.547 -4.503 1.475 167 HA ILE 26 HA ILE 26 -9.287 -7.103 2.018 168 HB ILE 26 HB ILE 26 -9.052 -6.725 4.397 169 HG12 ILE 26 HG12 ILE 26 -11.992 -6.480 3.746 170 HG13 ILE 26 HG11 ILE 26 -11.072 -7.964 3.491 171 HG21 ILE 26 HG21 ILE 26 -10.151 -4.116 3.686 172 HG22 ILE 26 HG22 ILE 26 -9.223 -4.589 5.108 173 HG23 ILE 26 HG23 ILE 26 -10.969 -4.829 5.076 174 HD11 ILE 26 HD11 ILE 26 -12.238 -7.021 5.918 175 HD12 ILE 26 HD12 ILE 26 -10.486 -6.994 6.116 176 HD13 ILE 26 HD13 ILE 26 -11.299 -8.492 5.662 177 H ASP 27 H ASP 27 -11.305 -7.516 1.197 178 HA ASP 27 HA ASP 27 -13.188 -7.126 -0.059 179 HB2 ASP 27 HB2 ASP 27 -13.375 -4.885 1.957 180 HB3 ASP 27 HB1 ASP 27 -14.663 -5.286 0.823 181 H CYS 28 H CYS 28 -10.727 -5.980 -1.094 182 HA CYS 28 HA CYS 28 -11.953 -3.928 -2.799 183 HB2 CYS 28 HB2 CYS 28 -10.687 -2.711 -1.055 184 HB3 CYS 28 HB1 CYS 28 -9.230 -3.591 -1.520 185 H ASP 29 H ASP 29 -11.542 -4.269 -4.895 186 HA ASP 29 HA ASP 29 -9.360 -6.148 -5.576 187 HB2 ASP 29 HB2 ASP 29 -12.067 -5.708 -6.835 188 HB3 ASP 29 HB1 ASP 29 -10.767 -6.567 -7.661 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 13.619 -16.112 -2.866 2 H2 GLY 1 HT2 GLY 1 13.735 -14.512 -2.307 3 H3 GLY 1 HT3 GLY 1 13.998 -14.861 -3.949 4 HA2 GLY 1 HA2 GLY 1 11.688 -15.556 -4.190 5 HA3 GLY 1 HA1 GLY 1 11.427 -15.152 -2.491 6 H ALA 2 H ALA 2 10.712 -14.028 -5.373 7 HA ALA 2 HA ALA 2 11.653 -11.361 -5.449 8 HB1 ALA 2 HB1 ALA 2 10.466 -11.261 -7.360 9 HB2 ALA 2 HB2 ALA 2 8.974 -11.742 -6.555 10 HB3 ALA 2 HB3 ALA 2 10.119 -12.970 -7.094 11 H MET 3 H MET 3 10.793 -9.455 -4.695 12 HA MET 3 HA MET 3 8.290 -9.447 -3.212 13 HB2 MET 3 HB2 MET 3 9.279 -8.654 -1.130 14 HB3 MET 3 HB1 MET 3 9.963 -10.225 -1.546 15 HG2 MET 3 HG2 MET 3 11.917 -9.077 -2.570 16 HG3 MET 3 HG1 MET 3 11.246 -7.526 -2.065 17 HE1 MET 3 HE1 MET 3 12.353 -10.868 -1.348 18 HE2 MET 3 HE2 MET 3 11.572 -11.101 0.216 19 HE3 MET 3 HE3 MET 3 13.307 -10.803 0.140 20 H GLY 4 H GLY 4 7.684 -7.263 -2.524 21 HA2 GLY 4 HA2 GLY 4 9.124 -4.943 -3.252 22 HA3 GLY 4 HA1 GLY 4 8.002 -5.354 -4.547 23 H ASN 5 H ASN 5 7.428 -3.030 -3.572 24 HA ASN 5 HA ASN 5 4.943 -3.439 -2.134 25 HB2 ASN 5 HB2 ASN 5 5.472 -1.813 -0.361 26 HB3 ASN 5 HB1 ASN 5 6.511 -3.231 -0.277 27 HD21 ASN 5 HD21 ASN 5 7.992 -1.665 0.951 28 HD22 ASN 5 HD22 ASN 5 9.028 -0.678 0.036 29 H VAL 6 H VAL 6 3.935 -1.142 -1.700 30 HA VAL 6 HA VAL 6 4.496 0.579 -4.040 31 HB VAL 6 HB VAL 6 1.771 -0.100 -2.922 32 HG11 VAL 6 HG11 VAL 6 1.310 1.901 -3.886 33 HG12 VAL 6 HG12 VAL 6 1.395 0.985 -5.392 34 HG13 VAL 6 HG13 VAL 6 2.797 1.897 -4.834 35 HG21 VAL 6 HG21 VAL 6 1.886 -0.929 -5.568 36 HG22 VAL 6 HG22 VAL 6 1.995 -1.987 -4.159 37 HG23 VAL 6 HG23 VAL 6 3.465 -1.391 -4.931 38 H ASN 7 H ASN 7 4.453 2.778 -3.633 39 HA ASN 7 HA ASN 7 3.934 3.518 -0.812 40 HB2 ASN 7 HB2 ASN 7 5.791 4.870 -2.770 41 HB3 ASN 7 HB1 ASN 7 5.541 5.307 -1.082 42 HD21 ASN 7 HD21 ASN 7 7.820 3.878 -2.881 43 HD22 ASN 7 HD22 ASN 7 8.370 2.680 -1.812 44 H CYS 8 H CYS 8 1.987 4.408 -0.679 45 HA CYS 8 HA CYS 8 0.985 6.089 -2.851 46 HB2 CYS 8 HB2 CYS 8 -0.488 4.379 -1.657 47 HB3 CYS 8 HB1 CYS 8 -0.416 5.432 -0.246 48 H GLY 9 H GLY 9 0.438 8.300 -2.526 49 HA2 GLY 9 HA2 GLY 9 2.319 9.775 -1.075 50 HA3 GLY 9 HA1 GLY 9 0.811 10.425 -1.712 51 H GLY 10 H GLY 10 -1.013 8.873 -0.214 52 HA2 GLY 10 HA2 GLY 10 -1.045 10.359 2.224 53 HA3 GLY 10 HA1 GLY 10 -2.172 9.091 1.771 54 H VAL 11 H VAL 11 -0.340 6.949 1.454 55 HA VAL 11 HA VAL 11 1.072 6.706 4.008 56 HB VAL 11 HB VAL 11 -0.189 4.394 4.200 57 HG11 VAL 11 HG11 VAL 11 -1.838 5.470 5.695 58 HG12 VAL 11 HG12 VAL 11 -1.452 7.041 4.989 59 HG13 VAL 11 HG13 VAL 11 -0.231 6.163 5.914 60 HG21 VAL 11 HG21 VAL 11 -1.421 5.080 2.000 61 HG22 VAL 11 HG22 VAL 11 -2.414 6.076 3.065 62 HG23 VAL 11 HG23 VAL 11 -2.350 4.328 3.297 63 HA PRO 12 HA PRO 12 3.376 3.767 1.548 64 HB2 PRO 12 HB2 PRO 12 4.691 2.399 3.487 65 HB3 PRO 12 HB1 PRO 12 5.080 4.097 3.139 66 HG2 PRO 12 HG2 PRO 12 3.476 2.938 5.358 67 HG3 PRO 12 HG1 PRO 12 4.590 4.315 5.366 68 HD2 PRO 12 HD2 PRO 12 1.813 4.519 5.233 69 HD3 PRO 12 HD1 PRO 12 2.950 5.794 4.742 70 H CYS 13 H CYS 13 2.375 2.031 0.613 71 HA CYS 13 HA CYS 13 1.064 0.063 2.396 72 HB2 CYS 13 HB2 CYS 13 -0.552 1.723 1.424 73 HB3 CYS 13 HB1 CYS 13 -0.133 1.112 -0.175 74 H LYS 14 H LYS 14 1.814 -1.935 2.050 75 HA LYS 14 HA LYS 14 3.546 -2.620 -0.051 76 HB2 LYS 14 HB2 LYS 14 1.859 -4.334 1.779 77 HB3 LYS 14 HB1 LYS 14 3.035 -4.997 0.642 78 HG2 LYS 14 HG2 LYS 14 4.820 -3.663 1.701 79 HG3 LYS 14 HG1 LYS 14 3.649 -2.996 2.838 80 HD2 LYS 14 HD2 LYS 14 3.177 -5.260 3.692 81 HD3 LYS 14 HD1 LYS 14 4.340 -5.935 2.551 82 HE2 LYS 14 HE2 LYS 14 6.142 -4.619 3.599 83 HE3 LYS 14 HE1 LYS 14 4.981 -3.931 4.737 84 HZ1 LYS 14 HZ1 LYS 14 4.549 -6.580 4.980 85 HZ2 LYS 14 HZ2 LYS 14 5.538 -5.661 6.011 86 HZ3 LYS 14 HZ3 LYS 14 6.224 -6.530 4.722 87 H PHE 15 H PHE 15 0.044 -3.104 0.304 88 HA PHE 15 HA PHE 15 -0.394 -3.005 -2.490 89 HB2 PHE 15 HB2 PHE 15 0.617 -5.207 -2.525 90 HB3 PHE 15 HB1 PHE 15 -0.472 -5.764 -1.251 91 HD1 PHE 15 HD1 PHE 15 -0.391 -4.414 -4.731 92 HD2 PHE 15 HD2 PHE 15 -2.642 -6.563 -1.770 93 HE1 PHE 15 HE1 PHE 15 -2.093 -4.985 -6.441 94 HE2 PHE 15 HE2 PHE 15 -4.344 -7.134 -3.481 95 HZ PHE 15 HZ PHE 15 -4.069 -6.347 -5.816 96 H GLY 16 H GLY 16 -2.440 -2.411 -2.829 97 HA2 GLY 16 HA2 GLY 16 -4.787 -3.359 -1.893 98 HA3 GLY 16 HA1 GLY 16 -4.266 -2.309 -0.578 99 H CYS 17 H CYS 17 -6.317 -1.179 -1.194 100 HA CYS 17 HA CYS 17 -6.048 0.501 -3.600 101 HB2 CYS 17 HB2 CYS 17 -8.387 0.140 -1.706 102 HB3 CYS 17 HB1 CYS 17 -8.403 1.078 -3.199 103 H CYS 18 H CYS 18 -5.418 2.587 -3.416 104 HA CYS 18 HA CYS 18 -5.245 3.705 -0.694 105 HB2 CYS 18 HB2 CYS 18 -3.146 3.560 -2.024 106 HB3 CYS 18 HB1 CYS 18 -3.864 4.639 -3.218 107 H ARG 19 H ARG 19 -6.950 4.892 -0.183 108 HA ARG 19 HA ARG 19 -7.832 6.999 -2.028 109 HB2 ARG 19 HB2 ARG 19 -9.664 5.067 -0.580 110 HB3 ARG 19 HB1 ARG 19 -10.199 6.515 -1.436 111 HG2 ARG 19 HG2 ARG 19 -9.295 5.650 -3.537 112 HG3 ARG 19 HG1 ARG 19 -8.646 4.239 -2.703 113 HD2 ARG 19 HD2 ARG 19 -10.741 3.623 -3.768 114 HD3 ARG 19 HD1 ARG 19 -10.968 3.624 -2.022 115 HE ARG 19 HE ARG 19 -11.646 6.165 -3.115 116 HH11 ARG 19 HH11 ARG 19 -12.770 2.871 -2.854 117 HH12 ARG 19 HH12 ARG 19 -14.439 3.307 -2.985 118 HH21 ARG 19 HH21 ARG 19 -13.837 6.699 -3.285 119 HH22 ARG 19 HH22 ARG 19 -15.040 5.458 -3.228 120 H GLU 20 H GLU 20 -8.733 8.826 -0.965 121 HA GLU 20 HA GLU 20 -8.732 10.412 0.704 122 HB2 GLU 20 HB2 GLU 20 -9.539 7.970 2.302 123 HB3 GLU 20 HB1 GLU 20 -9.660 9.631 2.884 124 HG2 GLU 20 HG2 GLU 20 -11.159 10.189 1.013 125 HG3 GLU 20 HG1 GLU 20 -11.020 8.542 0.402 126 H ASP 21 H ASP 21 -6.206 9.303 0.098 127 HA ASP 21 HA ASP 21 -4.054 9.219 0.882 128 HB2 ASP 21 HB2 ASP 21 -5.357 10.840 3.073 129 HB3 ASP 21 HB1 ASP 21 -3.619 10.559 2.980 130 H ARG 22 H ARG 22 -5.950 7.066 1.605 131 HA ARG 22 HA ARG 22 -4.377 5.915 3.811 132 HB2 ARG 22 HB2 ARG 22 -7.399 5.949 3.636 133 HB3 ARG 22 HB1 ARG 22 -6.481 4.936 4.750 134 HG2 ARG 22 HG2 ARG 22 -5.451 6.947 5.736 135 HG3 ARG 22 HG1 ARG 22 -6.366 7.964 4.625 136 HD2 ARG 22 HD2 ARG 22 -8.475 7.097 5.567 137 HD3 ARG 22 HD1 ARG 22 -7.562 6.090 6.685 138 HE ARG 22 HE ARG 22 -6.712 8.755 6.998 139 HH11 ARG 22 HH11 ARG 22 -9.528 6.763 7.513 140 HH12 ARG 22 HH12 ARG 22 -10.103 7.716 8.837 141 HH21 ARG 22 HH21 ARG 22 -7.477 9.970 8.740 142 HH22 ARG 22 HH22 ARG 22 -8.952 9.519 9.530 143 H CYS 23 H CYS 23 -4.155 3.632 3.687 144 HA CYS 23 HA CYS 23 -5.051 2.506 1.103 145 HB2 CYS 23 HB2 CYS 23 -2.617 2.638 1.271 146 HB3 CYS 23 HB1 CYS 23 -2.655 1.711 2.776 147 H ARG 24 H ARG 24 -6.468 0.915 1.133 148 HA ARG 24 HA ARG 24 -6.822 -0.622 3.637 149 HB2 ARG 24 HB2 ARG 24 -8.781 0.770 3.132 150 HB3 ARG 24 HB1 ARG 24 -8.883 0.052 1.522 151 HG2 ARG 24 HG2 ARG 24 -9.282 -2.152 2.476 152 HG3 ARG 24 HG1 ARG 24 -9.057 -1.523 4.108 153 HD2 ARG 24 HD2 ARG 24 -11.445 -1.722 3.605 154 HD3 ARG 24 HD1 ARG 24 -10.999 -0.028 3.790 155 HE ARG 24 HE ARG 24 -10.823 -0.838 1.058 156 HH11 ARG 24 HH11 ARG 24 -13.089 -0.018 3.579 157 HH12 ARG 24 HH12 ARG 24 -14.289 0.564 2.476 158 HH21 ARG 24 HH21 ARG 24 -12.405 -0.064 -0.360 159 HH22 ARG 24 HH22 ARG 24 -13.905 0.539 0.259 160 H GLU 25 H GLU 25 -6.592 -2.783 3.514 161 HA GLU 25 HA GLU 25 -6.556 -4.004 0.814 162 HB2 GLU 25 HB2 GLU 25 -4.279 -3.865 1.809 163 HB3 GLU 25 HB1 GLU 25 -4.853 -4.800 3.189 164 HG2 GLU 25 HG2 GLU 25 -5.427 -6.673 1.707 165 HG3 GLU 25 HG1 GLU 25 -4.903 -5.739 0.307 166 H ILE 26 H ILE 26 -8.855 -4.269 1.330 167 HA ILE 26 HA ILE 26 -9.574 -6.864 1.943 168 HB ILE 26 HB ILE 26 -8.935 -6.497 4.265 169 HG12 ILE 26 HG12 ILE 26 -11.945 -6.274 4.097 170 HG13 ILE 26 HG11 ILE 26 -11.071 -7.741 3.655 171 HG21 ILE 26 HG21 ILE 26 -9.222 -3.956 4.086 172 HG22 ILE 26 HG22 ILE 26 -9.769 -4.696 5.589 173 HG23 ILE 26 HG23 ILE 26 -10.941 -4.239 4.356 174 HD11 ILE 26 HD11 ILE 26 -10.208 -6.657 6.232 175 HD12 ILE 26 HD12 ILE 26 -10.705 -8.297 5.816 176 HD13 ILE 26 HD13 ILE 26 -11.920 -7.081 6.212 177 H ASP 27 H ASP 27 -11.505 -7.118 1.026 178 HA ASP 27 HA ASP 27 -13.505 -6.594 0.008 179 HB2 ASP 27 HB2 ASP 27 -13.673 -4.979 2.557 180 HB3 ASP 27 HB1 ASP 27 -15.030 -5.196 1.451 181 H CYS 28 H CYS 28 -11.257 -4.992 -0.881 182 HA CYS 28 HA CYS 28 -11.885 -2.244 -0.994 183 HB2 CYS 28 HB2 CYS 28 -9.669 -3.057 -1.600 184 HB3 CYS 28 HB1 CYS 28 -10.341 -3.922 -2.986 185 H ASP 29 H ASP 29 -12.616 -4.886 -3.266 186 HA ASP 29 HA ASP 29 -13.915 -3.409 -5.236 187 HB2 ASP 29 HB2 ASP 29 -14.349 -6.226 -4.246 188 HB3 ASP 29 HB1 ASP 29 -15.218 -5.563 -5.628 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 17.142 -9.348 -8.065 2 H2 GLY 1 HT2 GLY 1 17.117 -9.696 -9.729 3 H3 GLY 1 HT3 GLY 1 16.080 -10.524 -8.668 4 HA2 GLY 1 HA2 GLY 1 15.971 -7.605 -9.192 5 HA3 GLY 1 HA1 GLY 1 14.921 -8.799 -9.957 6 H ALA 2 H ALA 2 15.332 -6.772 -7.287 7 HA ALA 2 HA ALA 2 13.951 -8.209 -5.275 8 HB1 ALA 2 HB1 ALA 2 15.072 -5.594 -5.597 9 HB2 ALA 2 HB2 ALA 2 14.625 -6.423 -4.106 10 HB3 ALA 2 HB3 ALA 2 13.436 -5.436 -4.956 11 H MET 3 H MET 3 11.814 -8.297 -4.719 12 HA MET 3 HA MET 3 9.874 -8.118 -6.761 13 HB2 MET 3 HB2 MET 3 9.619 -8.327 -3.753 14 HB3 MET 3 HB1 MET 3 8.245 -8.424 -4.853 15 HG2 MET 3 HG2 MET 3 10.673 -10.235 -5.000 16 HG3 MET 3 HG1 MET 3 9.159 -10.668 -4.208 17 HE1 MET 3 HE1 MET 3 6.623 -9.903 -6.748 18 HE2 MET 3 HE2 MET 3 7.097 -10.208 -5.078 19 HE3 MET 3 HE3 MET 3 6.773 -11.563 -6.154 20 H GLY 4 H GLY 4 10.740 -5.951 -4.107 21 HA2 GLY 4 HA2 GLY 4 10.464 -3.640 -4.000 22 HA3 GLY 4 HA1 GLY 4 9.542 -3.706 -5.499 23 H ASN 5 H ASN 5 8.298 -2.099 -4.058 24 HA ASN 5 HA ASN 5 5.974 -3.512 -3.041 25 HB2 ASN 5 HB2 ASN 5 5.987 -2.336 -0.872 26 HB3 ASN 5 HB1 ASN 5 7.381 -3.399 -1.044 27 HD21 ASN 5 HD21 ASN 5 8.263 -1.815 0.701 28 HD22 ASN 5 HD22 ASN 5 9.024 -0.405 0.142 29 H VAL 6 H VAL 6 4.328 -1.789 -2.218 30 HA VAL 6 HA VAL 6 4.285 0.355 -4.239 31 HB VAL 6 HB VAL 6 2.019 -0.765 -2.569 32 HG11 VAL 6 HG11 VAL 6 1.257 1.331 -3.175 33 HG12 VAL 6 HG12 VAL 6 0.802 0.421 -4.616 34 HG13 VAL 6 HG13 VAL 6 2.270 1.398 -4.618 35 HG21 VAL 6 HG21 VAL 6 2.074 -2.490 -4.030 36 HG22 VAL 6 HG22 VAL 6 3.313 -1.700 -5.009 37 HG23 VAL 6 HG23 VAL 6 1.609 -1.333 -5.281 38 H ASN 7 H ASN 7 3.871 2.501 -3.656 39 HA ASN 7 HA ASN 7 3.705 3.106 -0.783 40 HB2 ASN 7 HB2 ASN 7 5.711 4.377 -2.663 41 HB3 ASN 7 HB1 ASN 7 5.439 4.833 -0.981 42 HD21 ASN 7 HD21 ASN 7 7.766 3.392 -2.579 43 HD22 ASN 7 HD22 ASN 7 8.158 2.100 -1.552 44 H CYS 8 H CYS 8 2.148 4.581 -0.400 45 HA CYS 8 HA CYS 8 1.163 6.127 -2.710 46 HB2 CYS 8 HB2 CYS 8 -0.427 4.577 -1.452 47 HB3 CYS 8 HB1 CYS 8 -0.292 5.693 -0.097 48 H GLY 9 H GLY 9 0.879 8.355 -2.547 49 HA2 GLY 9 HA2 GLY 9 2.795 9.762 -1.073 50 HA3 GLY 9 HA1 GLY 9 1.406 10.491 -1.870 51 H GLY 10 H GLY 10 -0.651 9.204 -0.385 52 HA2 GLY 10 HA2 GLY 10 -0.731 10.907 1.909 53 HA3 GLY 10 HA1 GLY 10 -1.919 9.677 1.488 54 H VAL 11 H VAL 11 -0.185 7.433 1.443 55 HA VAL 11 HA VAL 11 1.013 7.295 4.108 56 HB VAL 11 HB VAL 11 -0.382 5.019 4.251 57 HG11 VAL 11 HG11 VAL 11 -2.005 6.213 5.682 58 HG12 VAL 11 HG12 VAL 11 -1.471 7.752 5.005 59 HG13 VAL 11 HG13 VAL 11 -0.360 6.782 5.975 60 HG21 VAL 11 HG21 VAL 11 -2.393 6.887 2.999 61 HG22 VAL 11 HG22 VAL 11 -2.531 5.154 3.294 62 HG23 VAL 11 HG23 VAL 11 -1.475 5.748 2.013 63 HA PRO 12 HA PRO 12 3.388 4.236 1.894 64 HB2 PRO 12 HB2 PRO 12 4.649 2.980 3.940 65 HB3 PRO 12 HB1 PRO 12 5.061 4.644 3.478 66 HG2 PRO 12 HG2 PRO 12 3.427 3.663 5.760 67 HG3 PRO 12 HG1 PRO 12 4.536 5.043 5.671 68 HD2 PRO 12 HD2 PRO 12 1.752 5.209 5.487 69 HD3 PRO 12 HD1 PRO 12 2.888 6.459 4.937 70 H CYS 13 H CYS 13 2.434 2.472 1.025 71 HA CYS 13 HA CYS 13 1.250 0.449 2.799 72 HB2 CYS 13 HB2 CYS 13 -0.495 2.115 2.017 73 HB3 CYS 13 HB1 CYS 13 -0.198 1.547 0.374 74 H LYS 14 H LYS 14 2.362 -1.342 2.303 75 HA LYS 14 HA LYS 14 3.834 -1.785 -0.028 76 HB2 LYS 14 HB2 LYS 14 4.208 -3.014 2.062 77 HB3 LYS 14 HB1 LYS 14 2.657 -3.829 1.870 78 HG2 LYS 14 HG2 LYS 14 3.433 -4.825 -0.245 79 HG3 LYS 14 HG1 LYS 14 4.979 -3.997 -0.072 80 HD2 LYS 14 HD2 LYS 14 5.397 -5.201 2.039 81 HD3 LYS 14 HD1 LYS 14 3.848 -6.030 1.873 82 HE2 LYS 14 HE2 LYS 14 4.601 -7.031 -0.250 83 HE3 LYS 14 HE1 LYS 14 6.149 -6.200 -0.094 84 HZ1 LYS 14 HZ1 LYS 14 6.461 -7.376 2.037 85 HZ2 LYS 14 HZ2 LYS 14 6.376 -8.426 0.704 86 HZ3 LYS 14 HZ3 LYS 14 5.041 -8.255 1.741 87 H PHE 15 H PHE 15 0.567 -2.940 0.814 88 HA PHE 15 HA PHE 15 -0.075 -3.096 -2.018 89 HB2 PHE 15 HB2 PHE 15 0.882 -5.295 -1.662 90 HB3 PHE 15 HB1 PHE 15 -0.141 -5.546 -0.245 91 HD1 PHE 15 HD1 PHE 15 -0.213 -4.989 -3.931 92 HD2 PHE 15 HD2 PHE 15 -2.377 -6.317 -0.466 93 HE1 PHE 15 HE1 PHE 15 -2.021 -5.857 -5.391 94 HE2 PHE 15 HE2 PHE 15 -4.186 -7.183 -1.926 95 HZ PHE 15 HZ PHE 15 -4.007 -6.953 -4.388 96 H GLY 16 H GLY 16 -2.113 -2.472 -2.341 97 HA2 GLY 16 HA2 GLY 16 -4.446 -3.135 -1.213 98 HA3 GLY 16 HA1 GLY 16 -3.826 -1.976 -0.041 99 H CYS 17 H CYS 17 -5.958 -0.968 -0.842 100 HA CYS 17 HA CYS 17 -5.581 0.553 -3.338 101 HB2 CYS 17 HB2 CYS 17 -8.015 0.278 -1.556 102 HB3 CYS 17 HB1 CYS 17 -7.960 1.100 -3.115 103 H CYS 18 H CYS 18 -5.012 2.669 -3.251 104 HA CYS 18 HA CYS 18 -5.010 3.941 -0.591 105 HB2 CYS 18 HB2 CYS 18 -2.840 3.813 -1.747 106 HB3 CYS 18 HB1 CYS 18 -3.514 4.713 -3.106 107 H ARG 19 H ARG 19 -6.742 5.135 -0.206 108 HA ARG 19 HA ARG 19 -7.600 7.093 -2.223 109 HB2 ARG 19 HB2 ARG 19 -9.465 5.241 -0.713 110 HB3 ARG 19 HB1 ARG 19 -9.978 6.607 -1.704 111 HG2 ARG 19 HG2 ARG 19 -8.973 5.595 -3.687 112 HG3 ARG 19 HG1 ARG 19 -8.349 4.259 -2.721 113 HD2 ARG 19 HD2 ARG 19 -10.383 3.514 -3.798 114 HD3 ARG 19 HD1 ARG 19 -10.716 3.706 -2.078 115 HE ARG 19 HE ARG 19 -11.312 6.113 -3.468 116 HH11 ARG 19 HH11 ARG 19 -12.477 2.865 -2.954 117 HH12 ARG 19 HH12 ARG 19 -14.129 3.289 -3.240 118 HH21 ARG 19 HH21 ARG 19 -13.470 6.633 -3.842 119 HH22 ARG 19 HH22 ARG 19 -14.691 5.412 -3.737 120 H GLU 20 H GLU 20 -8.461 8.998 -1.351 121 HA GLU 20 HA GLU 20 -8.512 10.705 0.194 122 HB2 GLU 20 HB2 GLU 20 -9.627 8.437 1.857 123 HB3 GLU 20 HB1 GLU 20 -9.723 10.144 2.293 124 HG2 GLU 20 HG2 GLU 20 -10.951 10.610 0.204 125 HG3 GLU 20 HG1 GLU 20 -10.861 8.904 -0.229 126 H ASP 21 H ASP 21 -5.984 9.582 -0.046 127 HA ASP 21 HA ASP 21 -3.947 9.417 1.002 128 HB2 ASP 21 HB2 ASP 21 -5.412 11.241 2.915 129 HB3 ASP 21 HB1 ASP 21 -3.688 10.890 3.030 130 H ARG 22 H ARG 22 -5.855 7.334 1.540 131 HA ARG 22 HA ARG 22 -4.672 6.297 4.012 132 HB2 ARG 22 HB2 ARG 22 -6.823 7.284 4.708 133 HB3 ARG 22 HB1 ARG 22 -7.659 6.313 3.495 134 HG2 ARG 22 HG2 ARG 22 -6.945 4.254 4.585 135 HG3 ARG 22 HG1 ARG 22 -5.976 5.168 5.743 136 HD2 ARG 22 HD2 ARG 22 -8.101 4.532 6.771 137 HD3 ARG 22 HD1 ARG 22 -8.041 6.280 6.560 138 HE ARG 22 HE ARG 22 -9.266 5.062 4.302 139 HH11 ARG 22 HH11 ARG 22 -9.819 5.861 7.652 140 HH12 ARG 22 HH12 ARG 22 -11.534 5.970 7.465 141 HH21 ARG 22 HH21 ARG 22 -11.517 5.215 4.093 142 HH22 ARG 22 HH22 ARG 22 -12.488 5.606 5.472 143 H CYS 23 H CYS 23 -4.149 4.163 3.822 144 HA CYS 23 HA CYS 23 -4.952 2.858 1.318 145 HB2 CYS 23 HB2 CYS 23 -2.550 2.942 1.708 146 HB3 CYS 23 HB1 CYS 23 -2.751 2.132 3.266 147 H ARG 24 H ARG 24 -6.427 1.339 1.294 148 HA ARG 24 HA ARG 24 -7.202 0.041 3.822 149 HB2 ARG 24 HB2 ARG 24 -8.978 1.305 2.613 150 HB3 ARG 24 HB1 ARG 24 -8.761 0.233 1.232 151 HG2 ARG 24 HG2 ARG 24 -9.358 -1.698 2.610 152 HG3 ARG 24 HG1 ARG 24 -9.534 -0.650 4.019 153 HD2 ARG 24 HD2 ARG 24 -11.320 0.603 2.867 154 HD3 ARG 24 HD1 ARG 24 -11.150 -0.448 1.463 155 HE ARG 24 HE ARG 24 -11.587 -2.056 3.711 156 HH11 ARG 24 HH11 ARG 24 -13.242 0.316 1.766 157 HH12 ARG 24 HH12 ARG 24 -14.810 -0.337 2.090 158 HH21 ARG 24 HH21 ARG 24 -13.658 -2.875 4.136 159 HH22 ARG 24 HH22 ARG 24 -15.045 -2.131 3.417 160 H GLU 25 H GLU 25 -7.209 -2.177 3.974 161 HA GLU 25 HA GLU 25 -6.201 -3.677 1.670 162 HB2 GLU 25 HB2 GLU 25 -5.505 -3.966 4.605 163 HB3 GLU 25 HB1 GLU 25 -5.116 -5.183 3.387 164 HG2 GLU 25 HG2 GLU 25 -3.766 -3.586 2.151 165 HG3 GLU 25 HG1 GLU 25 -4.245 -2.285 3.238 166 H ILE 26 H ILE 26 -7.612 -4.947 0.990 167 HA ILE 26 HA ILE 26 -9.086 -6.723 0.870 168 HB ILE 26 HB ILE 26 -8.290 -6.989 3.495 169 HG12 ILE 26 HG12 ILE 26 -9.730 -9.093 3.360 170 HG13 ILE 26 HG11 ILE 26 -10.294 -8.488 1.802 171 HG21 ILE 26 HG21 ILE 26 -11.317 -6.849 3.481 172 HG22 ILE 26 HG22 ILE 26 -10.300 -5.557 4.120 173 HG23 ILE 26 HG23 ILE 26 -10.263 -7.155 4.861 174 HD11 ILE 26 HD11 ILE 26 -7.800 -9.811 2.437 175 HD12 ILE 26 HD12 ILE 26 -7.491 -8.221 1.738 176 HD13 ILE 26 HD13 ILE 26 -8.466 -9.399 0.858 177 H ASP 27 H ASP 27 -11.399 -6.909 0.764 178 HA ASP 27 HA ASP 27 -13.490 -6.021 0.395 179 HB2 ASP 27 HB2 ASP 27 -13.334 -5.743 2.915 180 HB3 ASP 27 HB1 ASP 27 -12.834 -4.079 2.615 181 H CYS 28 H CYS 28 -11.436 -5.125 -1.241 182 HA CYS 28 HA CYS 28 -12.109 -2.270 -1.623 183 HB2 CYS 28 HB2 CYS 28 -9.721 -2.594 -1.129 184 HB3 CYS 28 HB1 CYS 28 -9.598 -3.747 -2.460 185 H ASP 29 H ASP 29 -13.272 -1.818 -3.373 186 HA ASP 29 HA ASP 29 -13.692 -3.886 -5.388 187 HB2 ASP 29 HB2 ASP 29 -14.968 -1.201 -4.866 188 HB3 ASP 29 HB1 ASP 29 -15.333 -2.162 -6.297 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 11.154 -16.840 -6.342 2 H2 GLY 1 HT2 GLY 1 9.479 -17.084 -6.202 3 H3 GLY 1 HT3 GLY 1 10.147 -15.552 -5.895 4 HA2 GLY 1 HA2 GLY 1 10.900 -16.391 -8.479 5 HA3 GLY 1 HA1 GLY 1 9.149 -16.507 -8.298 6 H ALA 2 H ALA 2 8.612 -14.720 -9.540 7 HA ALA 2 HA ALA 2 9.868 -12.191 -9.376 8 HB1 ALA 2 HB1 ALA 2 7.619 -13.354 -10.755 9 HB2 ALA 2 HB2 ALA 2 8.568 -11.929 -11.183 10 HB3 ALA 2 HB3 ALA 2 7.179 -11.773 -10.107 11 H MET 3 H MET 3 9.364 -10.344 -8.229 12 HA MET 3 HA MET 3 7.137 -10.342 -6.360 13 HB2 MET 3 HB2 MET 3 8.498 -10.010 -4.375 14 HB3 MET 3 HB1 MET 3 8.943 -11.539 -5.135 15 HG2 MET 3 HG2 MET 3 10.860 -10.431 -6.235 16 HG3 MET 3 HG1 MET 3 10.424 -8.909 -5.458 17 HE1 MET 3 HE1 MET 3 13.358 -9.255 -3.501 18 HE2 MET 3 HE2 MET 3 12.755 -9.009 -5.137 19 HE3 MET 3 HE3 MET 3 13.573 -10.515 -4.725 20 H GLY 4 H GLY 4 6.899 -8.244 -5.277 21 HA2 GLY 4 HA2 GLY 4 8.494 -5.994 -5.892 22 HA3 GLY 4 HA1 GLY 4 7.155 -6.076 -7.031 23 H ASN 5 H ASN 5 7.032 -3.893 -5.648 24 HA ASN 5 HA ASN 5 4.749 -4.271 -3.892 25 HB2 ASN 5 HB2 ASN 5 5.733 -3.018 -2.023 26 HB3 ASN 5 HB1 ASN 5 6.608 -4.516 -2.325 27 HD21 ASN 5 HD21 ASN 5 8.357 -3.175 -1.090 28 HD22 ASN 5 HD22 ASN 5 9.369 -2.196 -2.039 29 H VAL 6 H VAL 6 3.959 -2.096 -3.090 30 HA VAL 6 HA VAL 6 4.582 0.097 -4.950 31 HB VAL 6 HB VAL 6 2.651 -1.104 -5.899 32 HG11 VAL 6 HG11 VAL 6 0.500 -0.675 -4.296 33 HG12 VAL 6 HG12 VAL 6 1.735 -0.992 -3.080 34 HG13 VAL 6 HG13 VAL 6 1.401 -2.190 -4.328 35 HG21 VAL 6 HG21 VAL 6 2.872 1.520 -5.708 36 HG22 VAL 6 HG22 VAL 6 1.469 1.355 -4.652 37 HG23 VAL 6 HG23 VAL 6 1.385 0.799 -6.323 38 H ASN 7 H ASN 7 3.778 2.204 -4.124 39 HA ASN 7 HA ASN 7 3.115 2.181 -1.258 40 HB2 ASN 7 HB2 ASN 7 4.805 3.870 -0.763 41 HB3 ASN 7 HB1 ASN 7 5.564 2.419 -1.410 42 HD21 ASN 7 HD21 ASN 7 7.246 4.385 -1.748 43 HD22 ASN 7 HD22 ASN 7 7.187 5.092 -3.290 44 H CYS 8 H CYS 8 2.203 4.219 -0.486 45 HA CYS 8 HA CYS 8 1.062 5.809 -2.705 46 HB2 CYS 8 HB2 CYS 8 -0.564 4.339 -1.401 47 HB3 CYS 8 HB1 CYS 8 -0.244 5.377 -0.015 48 H GLY 9 H GLY 9 1.131 8.017 -2.538 49 HA2 GLY 9 HA2 GLY 9 3.171 9.187 -1.012 50 HA3 GLY 9 HA1 GLY 9 1.890 10.074 -1.834 51 H GLY 10 H GLY 10 -0.315 8.964 -0.425 52 HA2 GLY 10 HA2 GLY 10 -0.322 10.647 1.879 53 HA3 GLY 10 HA1 GLY 10 -1.592 9.525 1.409 54 H VAL 11 H VAL 11 -0.059 7.130 1.410 55 HA VAL 11 HA VAL 11 0.970 6.894 4.151 56 HB VAL 11 HB VAL 11 -0.532 4.673 4.098 57 HG11 VAL 11 HG11 VAL 11 -1.681 7.379 4.851 58 HG12 VAL 11 HG12 VAL 11 -0.497 6.513 5.830 59 HG13 VAL 11 HG13 VAL 11 -2.092 5.812 5.551 60 HG21 VAL 11 HG21 VAL 11 -2.290 6.718 2.732 61 HG22 VAL 11 HG22 VAL 11 -2.630 5.016 3.032 62 HG23 VAL 11 HG23 VAL 11 -1.424 5.473 1.832 63 HA PRO 12 HA PRO 12 3.386 3.750 2.117 64 HB2 PRO 12 HB2 PRO 12 4.378 2.401 4.249 65 HB3 PRO 12 HB1 PRO 12 4.899 4.058 3.879 66 HG2 PRO 12 HG2 PRO 12 3.026 3.083 5.964 67 HG3 PRO 12 HG1 PRO 12 4.159 4.443 6.004 68 HD2 PRO 12 HD2 PRO 12 1.395 4.640 5.537 69 HD3 PRO 12 HD1 PRO 12 2.595 5.903 5.189 70 H CYS 13 H CYS 13 2.459 2.045 1.106 71 HA CYS 13 HA CYS 13 1.158 -0.058 2.665 72 HB2 CYS 13 HB2 CYS 13 -0.578 1.693 2.090 73 HB3 CYS 13 HB1 CYS 13 -0.293 1.323 0.389 74 H LYS 14 H LYS 14 2.263 -1.793 1.956 75 HA LYS 14 HA LYS 14 3.621 -1.995 -0.498 76 HB2 LYS 14 HB2 LYS 14 2.665 -4.098 1.447 77 HB3 LYS 14 HB1 LYS 14 3.662 -4.467 0.039 78 HG2 LYS 14 HG2 LYS 14 5.389 -2.900 0.844 79 HG3 LYS 14 HG1 LYS 14 4.392 -2.520 2.248 80 HD2 LYS 14 HD2 LYS 14 4.490 -4.871 2.971 81 HD3 LYS 14 HD1 LYS 14 5.472 -5.270 1.561 82 HE2 LYS 14 HE2 LYS 14 7.224 -3.718 2.332 83 HE3 LYS 14 HE1 LYS 14 6.241 -3.299 3.734 84 HZ1 LYS 14 HZ1 LYS 14 8.060 -5.138 3.891 85 HZ2 LYS 14 HZ2 LYS 14 6.847 -6.122 3.222 86 HZ3 LYS 14 HZ3 LYS 14 6.581 -5.324 4.698 87 H PHE 15 H PHE 15 0.375 -3.120 0.429 88 HA PHE 15 HA PHE 15 -0.350 -3.193 -2.385 89 HB2 PHE 15 HB2 PHE 15 0.563 -5.426 -2.107 90 HB3 PHE 15 HB1 PHE 15 -0.448 -5.691 -0.683 91 HD1 PHE 15 HD1 PHE 15 -0.578 -4.949 -4.335 92 HD2 PHE 15 HD2 PHE 15 -2.687 -6.430 -0.902 93 HE1 PHE 15 HE1 PHE 15 -2.438 -5.682 -5.797 94 HE2 PHE 15 HE2 PHE 15 -4.550 -7.168 -2.365 95 HZ PHE 15 HZ PHE 15 -4.426 -6.793 -4.813 96 H GLY 16 H GLY 16 -2.425 -2.651 -2.687 97 HA2 GLY 16 HA2 GLY 16 -4.730 -3.238 -1.549 98 HA3 GLY 16 HA1 GLY 16 -4.070 -2.173 -0.312 99 H CYS 17 H CYS 17 -6.145 -1.019 -0.979 100 HA CYS 17 HA CYS 17 -5.765 0.629 -3.393 101 HB2 CYS 17 HB2 CYS 17 -8.190 0.283 -1.608 102 HB3 CYS 17 HB1 CYS 17 -8.132 1.242 -3.086 103 H CYS 18 H CYS 18 -5.174 2.723 -3.200 104 HA CYS 18 HA CYS 18 -5.050 3.836 -0.474 105 HB2 CYS 18 HB2 CYS 18 -2.923 3.720 -1.726 106 HB3 CYS 18 HB1 CYS 18 -3.623 4.733 -2.989 107 H ARG 19 H ARG 19 -6.728 5.051 0.038 108 HA ARG 19 HA ARG 19 -7.574 7.149 -1.828 109 HB2 ARG 19 HB2 ARG 19 -9.394 5.130 -0.528 110 HB3 ARG 19 HB1 ARG 19 -9.968 6.678 -1.160 111 HG2 ARG 19 HG2 ARG 19 -9.045 6.158 -3.359 112 HG3 ARG 19 HG1 ARG 19 -8.393 4.640 -2.747 113 HD2 ARG 19 HD2 ARG 19 -10.632 3.802 -2.314 114 HD3 ARG 19 HD1 ARG 19 -11.335 5.353 -2.783 115 HE ARG 19 HE ARG 19 -9.732 4.466 -4.891 116 HH11 ARG 19 HH11 ARG 19 -12.650 3.551 -3.213 117 HH12 ARG 19 HH12 ARG 19 -13.357 2.793 -4.597 118 HH21 ARG 19 HH21 ARG 19 -10.678 3.454 -6.687 119 HH22 ARG 19 HH22 ARG 19 -12.246 2.731 -6.551 120 H GLU 20 H GLU 20 -8.408 9.010 -0.800 121 HA GLU 20 HA GLU 20 -8.416 10.601 0.863 122 HB2 GLU 20 HB2 GLU 20 -9.525 8.195 2.320 123 HB3 GLU 20 HB1 GLU 20 -9.494 9.818 3.009 124 HG2 GLU 20 HG2 GLU 20 -10.871 10.681 1.225 125 HG3 GLU 20 HG1 GLU 20 -10.765 9.161 0.340 126 H ASP 21 H ASP 21 -5.918 9.420 0.442 127 HA ASP 21 HA ASP 21 -3.829 9.280 1.355 128 HB2 ASP 21 HB2 ASP 21 -5.233 10.886 3.488 129 HB3 ASP 21 HB1 ASP 21 -3.502 10.552 3.518 130 H ARG 22 H ARG 22 -5.885 7.167 2.008 131 HA ARG 22 HA ARG 22 -4.327 5.927 4.167 132 HB2 ARG 22 HB2 ARG 22 -7.352 6.043 4.073 133 HB3 ARG 22 HB1 ARG 22 -6.420 5.010 5.160 134 HG2 ARG 22 HG2 ARG 22 -5.398 6.925 6.218 135 HG3 ARG 22 HG1 ARG 22 -6.104 8.019 5.031 136 HD2 ARG 22 HD2 ARG 22 -7.723 6.288 6.916 137 HD3 ARG 22 HD1 ARG 22 -7.337 7.980 7.213 138 HE ARG 22 HE ARG 22 -8.504 7.841 4.681 139 HH11 ARG 22 HH11 ARG 22 -9.361 7.191 7.999 140 HH12 ARG 22 HH12 ARG 22 -11.035 7.554 7.760 141 HH21 ARG 22 HH21 ARG 22 -10.687 8.335 4.406 142 HH22 ARG 22 HH22 ARG 22 -11.783 8.205 5.740 143 H CYS 23 H CYS 23 -4.101 3.696 3.987 144 HA CYS 23 HA CYS 23 -4.981 2.606 1.397 145 HB2 CYS 23 HB2 CYS 23 -2.567 2.570 1.748 146 HB3 CYS 23 HB1 CYS 23 -2.783 1.677 3.257 147 H ARG 24 H ARG 24 -6.559 1.176 1.341 148 HA ARG 24 HA ARG 24 -7.147 -0.404 3.775 149 HB2 ARG 24 HB2 ARG 24 -8.905 1.287 3.193 150 HB3 ARG 24 HB1 ARG 24 -9.127 0.458 1.653 151 HG2 ARG 24 HG2 ARG 24 -9.570 -1.655 2.956 152 HG3 ARG 24 HG1 ARG 24 -9.571 -0.671 4.421 153 HD2 ARG 24 HD2 ARG 24 -11.344 0.768 3.334 154 HD3 ARG 24 HD1 ARG 24 -11.433 -0.438 2.050 155 HE ARG 24 HE ARG 24 -11.700 -1.737 4.525 156 HH11 ARG 24 HH11 ARG 24 -13.407 0.501 2.471 157 HH12 ARG 24 HH12 ARG 24 -14.968 0.011 3.031 158 HH21 ARG 24 HH21 ARG 24 -13.753 -2.355 5.247 159 HH22 ARG 24 HH22 ARG 24 -15.166 -1.594 4.595 160 H GLU 25 H GLU 25 -7.258 -2.582 3.537 161 HA GLU 25 HA GLU 25 -7.141 -3.648 0.775 162 HB2 GLU 25 HB2 GLU 25 -4.981 -3.876 1.990 163 HB3 GLU 25 HB1 GLU 25 -5.811 -4.815 3.232 164 HG2 GLU 25 HG2 GLU 25 -6.471 -6.483 1.546 165 HG3 GLU 25 HG1 GLU 25 -5.673 -5.538 0.290 166 H ILE 26 H ILE 26 -9.502 -3.637 1.049 167 HA ILE 26 HA ILE 26 -10.597 -6.146 1.383 168 HB ILE 26 HB ILE 26 -10.153 -6.008 3.786 169 HG12 ILE 26 HG12 ILE 26 -13.089 -5.446 3.351 170 HG13 ILE 26 HG11 ILE 26 -12.332 -6.962 2.855 171 HG21 ILE 26 HG21 ILE 26 -11.032 -4.221 5.150 172 HG22 ILE 26 HG22 ILE 26 -11.874 -3.519 3.769 173 HG23 ILE 26 HG23 ILE 26 -10.112 -3.486 3.836 174 HD11 ILE 26 HD11 ILE 26 -11.527 -6.330 5.547 175 HD12 ILE 26 HD12 ILE 26 -12.415 -7.738 4.963 176 HD13 ILE 26 HD13 ILE 26 -13.286 -6.279 5.435 177 H ASP 27 H ASP 27 -12.668 -6.160 0.604 178 HA ASP 27 HA ASP 27 -14.517 -5.342 -0.496 179 HB2 ASP 27 HB2 ASP 27 -15.020 -4.805 1.927 180 HB3 ASP 27 HB1 ASP 27 -14.445 -3.170 1.604 181 H CYS 28 H CYS 28 -12.083 -4.506 -1.630 182 HA CYS 28 HA CYS 28 -12.628 -1.704 -2.390 183 HB2 CYS 28 HB2 CYS 28 -10.373 -2.088 -1.493 184 HB3 CYS 28 HB1 CYS 28 -10.094 -3.331 -2.715 185 H ASP 29 H ASP 29 -13.500 -1.353 -4.322 186 HA ASP 29 HA ASP 29 -13.402 -3.511 -6.332 187 HB2 ASP 29 HB2 ASP 29 -15.648 -2.730 -5.595 188 HB3 ASP 29 HB1 ASP 29 -15.249 -1.117 -6.180 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 8.965 -12.652 -13.924 2 H2 GLY 1 HT2 GLY 1 7.581 -12.372 -14.871 3 H3 GLY 1 HT3 GLY 1 7.484 -12.300 -13.176 4 HA2 GLY 1 HA2 GLY 1 9.357 -10.505 -14.542 5 HA3 GLY 1 HA1 GLY 1 7.635 -10.123 -14.582 6 H ALA 2 H ALA 2 8.370 -8.223 -13.300 7 HA ALA 2 HA ALA 2 8.033 -8.778 -10.463 8 HB1 ALA 2 HB1 ALA 2 10.563 -8.792 -11.122 9 HB2 ALA 2 HB2 ALA 2 10.046 -7.883 -9.702 10 HB3 ALA 2 HB3 ALA 2 10.364 -7.042 -11.220 11 H MET 3 H MET 3 7.376 -6.943 -9.267 12 HA MET 3 HA MET 3 6.761 -4.541 -10.869 13 HB2 MET 3 HB2 MET 3 4.905 -6.027 -9.001 14 HB3 MET 3 HB1 MET 3 4.583 -4.411 -9.626 15 HG2 MET 3 HG2 MET 3 4.701 -5.280 -11.936 16 HG3 MET 3 HG1 MET 3 5.016 -6.898 -11.307 17 HE1 MET 3 HE1 MET 3 2.905 -6.081 -13.312 18 HE2 MET 3 HE2 MET 3 1.355 -6.750 -12.806 19 HE3 MET 3 HE3 MET 3 2.797 -7.762 -12.772 20 H GLY 4 H GLY 4 6.672 -2.583 -9.706 21 HA2 GLY 4 HA2 GLY 4 8.440 -2.448 -7.455 22 HA3 GLY 4 HA1 GLY 4 7.555 -1.103 -8.166 23 H ASN 5 H ASN 5 7.890 -1.476 -5.377 24 HA ASN 5 HA ASN 5 5.593 -2.697 -4.199 25 HB2 ASN 5 HB2 ASN 5 7.600 -0.692 -3.158 26 HB3 ASN 5 HB1 ASN 5 6.303 -1.367 -2.172 27 HD21 ASN 5 HD21 ASN 5 9.110 -1.838 -1.615 28 HD22 ASN 5 HD22 ASN 5 9.407 -3.495 -1.840 29 H VAL 6 H VAL 6 3.668 -1.832 -3.565 30 HA VAL 6 HA VAL 6 2.781 0.551 -4.919 31 HB VAL 6 HB VAL 6 1.372 -1.154 -2.853 32 HG11 VAL 6 HG11 VAL 6 -0.664 -0.156 -3.983 33 HG12 VAL 6 HG12 VAL 6 0.427 0.975 -4.782 34 HG13 VAL 6 HG13 VAL 6 0.285 0.980 -3.024 35 HG21 VAL 6 HG21 VAL 6 2.165 -1.765 -5.501 36 HG22 VAL 6 HG22 VAL 6 0.433 -1.433 -5.566 37 HG23 VAL 6 HG23 VAL 6 1.053 -2.680 -4.479 38 H ASN 7 H ASN 7 2.152 2.523 -3.987 39 HA ASN 7 HA ASN 7 2.740 2.886 -1.127 40 HB2 ASN 7 HB2 ASN 7 3.802 4.711 -3.296 41 HB3 ASN 7 HB1 ASN 7 4.010 4.920 -1.556 42 HD21 ASN 7 HD21 ASN 7 5.825 4.075 -4.081 43 HD22 ASN 7 HD22 ASN 7 6.786 2.854 -3.397 44 H CYS 8 H CYS 8 1.335 4.237 -0.104 45 HA CYS 8 HA CYS 8 -0.637 5.651 -1.795 46 HB2 CYS 8 HB2 CYS 8 -1.581 3.788 -0.423 47 HB3 CYS 8 HB1 CYS 8 -1.035 4.618 1.026 48 H GLY 9 H GLY 9 -1.188 7.777 -1.213 49 HA2 GLY 9 HA2 GLY 9 0.894 9.378 -0.275 50 HA3 GLY 9 HA1 GLY 9 -0.777 9.899 -0.429 51 H GLY 10 H GLY 10 -1.956 8.158 1.490 52 HA2 GLY 10 HA2 GLY 10 -1.404 9.638 3.867 53 HA3 GLY 10 HA1 GLY 10 -2.484 8.258 3.736 54 H VAL 11 H VAL 11 -0.643 6.328 2.824 55 HA VAL 11 HA VAL 11 1.517 6.220 4.789 56 HB VAL 11 HB VAL 11 0.541 3.770 5.239 57 HG11 VAL 11 HG11 VAL 11 -0.250 4.624 7.372 58 HG12 VAL 11 HG12 VAL 11 -0.504 6.230 6.690 59 HG13 VAL 11 HG13 VAL 11 1.133 5.606 6.889 60 HG21 VAL 11 HG21 VAL 11 -1.451 4.389 3.760 61 HG22 VAL 11 HG22 VAL 11 -1.951 5.485 5.049 62 HG23 VAL 11 HG23 VAL 11 -1.850 3.751 5.356 63 HA PRO 12 HA PRO 12 3.140 3.571 1.636 64 HB2 PRO 12 HB2 PRO 12 5.086 2.253 2.960 65 HB3 PRO 12 HB1 PRO 12 5.183 4.005 2.683 66 HG2 PRO 12 HG2 PRO 12 4.455 2.518 5.154 67 HG3 PRO 12 HG1 PRO 12 5.367 4.025 4.970 68 HD2 PRO 12 HD2 PRO 12 2.652 3.854 5.653 69 HD3 PRO 12 HD1 PRO 12 3.468 5.309 5.042 70 H CYS 13 H CYS 13 2.101 1.868 0.848 71 HA CYS 13 HA CYS 13 1.562 -0.476 2.556 72 HB2 CYS 13 HB2 CYS 13 -0.337 1.278 1.164 73 HB3 CYS 13 HB1 CYS 13 -0.556 -0.431 0.787 74 H LYS 14 H LYS 14 2.786 -2.073 1.687 75 HA LYS 14 HA LYS 14 3.839 -2.081 -0.902 76 HB2 LYS 14 HB2 LYS 14 3.324 -4.345 1.028 77 HB3 LYS 14 HB1 LYS 14 4.188 -4.551 -0.496 78 HG2 LYS 14 HG2 LYS 14 5.834 -2.855 0.195 79 HG3 LYS 14 HG1 LYS 14 4.970 -2.626 1.715 80 HD2 LYS 14 HD2 LYS 14 5.369 -4.982 2.310 81 HD3 LYS 14 HD1 LYS 14 6.224 -5.226 0.786 82 HE2 LYS 14 HE2 LYS 14 7.894 -3.544 1.435 83 HE3 LYS 14 HE1 LYS 14 7.035 -3.258 2.948 84 HZ1 LYS 14 HZ1 LYS 14 8.050 -5.926 2.159 85 HZ2 LYS 14 HZ2 LYS 14 7.507 -5.424 3.689 86 HZ3 LYS 14 HZ3 LYS 14 8.971 -4.827 3.065 87 H PHE 15 H PHE 15 0.854 -3.579 0.323 88 HA PHE 15 HA PHE 15 -0.123 -3.653 -2.423 89 HB2 PHE 15 HB2 PHE 15 0.893 -5.846 -2.207 90 HB3 PHE 15 HB1 PHE 15 0.022 -6.134 -0.699 91 HD1 PHE 15 HD1 PHE 15 -0.481 -5.419 -4.334 92 HD2 PHE 15 HD2 PHE 15 -2.173 -7.003 -0.716 93 HE1 PHE 15 HE1 PHE 15 -2.430 -6.263 -5.614 94 HE2 PHE 15 HE2 PHE 15 -4.121 -7.847 -1.998 95 HZ PHE 15 HZ PHE 15 -4.251 -7.476 -4.444 96 H GLY 16 H GLY 16 -2.037 -2.744 -2.400 97 HA2 GLY 16 HA2 GLY 16 -4.274 -3.544 -1.003 98 HA3 GLY 16 HA1 GLY 16 -3.529 -2.303 -0.000 99 H CYS 17 H CYS 17 -5.719 -1.308 -0.562 100 HA CYS 17 HA CYS 17 -5.625 0.029 -3.188 101 HB2 CYS 17 HB2 CYS 17 -7.883 -0.569 -1.288 102 HB3 CYS 17 HB1 CYS 17 -8.044 0.649 -2.552 103 H CYS 18 H CYS 18 -5.166 2.109 -3.322 104 HA CYS 18 HA CYS 18 -5.029 3.687 -0.833 105 HB2 CYS 18 HB2 CYS 18 -2.914 3.529 -2.028 106 HB3 CYS 18 HB1 CYS 18 -3.679 4.082 -3.517 107 H ARG 19 H ARG 19 -6.739 4.947 -0.504 108 HA ARG 19 HA ARG 19 -7.762 6.568 -2.711 109 HB2 ARG 19 HB2 ARG 19 -9.178 4.554 -2.722 110 HB3 ARG 19 HB1 ARG 19 -9.531 4.797 -1.012 111 HG2 ARG 19 HG2 ARG 19 -11.361 5.674 -2.392 112 HG3 ARG 19 HG1 ARG 19 -10.555 6.986 -1.538 113 HD2 ARG 19 HD2 ARG 19 -9.295 7.572 -3.542 114 HD3 ARG 19 HD1 ARG 19 -9.956 6.183 -4.401 115 HE ARG 19 HE ARG 19 -12.110 7.700 -3.517 116 HH11 ARG 19 HH11 ARG 19 -9.347 8.087 -5.602 117 HH12 ARG 19 HH12 ARG 19 -10.135 9.224 -6.638 118 HH21 ARG 19 HH21 ARG 19 -13.122 9.192 -4.891 119 HH22 ARG 19 HH22 ARG 19 -12.260 9.846 -6.242 120 H GLU 20 H GLU 20 -8.398 8.568 -2.075 121 HA GLU 20 HA GLU 20 -8.525 10.414 -0.707 122 HB2 GLU 20 HB2 GLU 20 -9.960 8.336 0.952 123 HB3 GLU 20 HB1 GLU 20 -9.899 10.045 1.388 124 HG2 GLU 20 HG2 GLU 20 -10.984 10.679 -0.677 125 HG3 GLU 20 HG1 GLU 20 -10.893 9.029 -1.289 126 H ASP 21 H ASP 21 -6.059 9.107 -0.598 127 HA ASP 21 HA ASP 21 -4.130 9.007 0.636 128 HB2 ASP 21 HB2 ASP 21 -5.707 10.990 2.281 129 HB3 ASP 21 HB1 ASP 21 -4.017 10.597 2.593 130 H ARG 22 H ARG 22 -6.002 6.929 1.094 131 HA ARG 22 HA ARG 22 -5.214 6.179 3.831 132 HB2 ARG 22 HB2 ARG 22 -8.008 5.969 2.686 133 HB3 ARG 22 HB1 ARG 22 -7.480 5.143 4.153 134 HG2 ARG 22 HG2 ARG 22 -6.892 7.321 5.162 135 HG3 ARG 22 HG1 ARG 22 -7.430 8.140 3.698 136 HD2 ARG 22 HD2 ARG 22 -9.698 7.209 4.017 137 HD3 ARG 22 HD1 ARG 22 -9.160 6.425 5.499 138 HE ARG 22 HE ARG 22 -9.748 9.241 5.139 139 HH11 ARG 22 HH11 ARG 22 -8.077 6.839 7.042 140 HH12 ARG 22 HH12 ARG 22 -8.027 7.826 8.460 141 HH21 ARG 22 HH21 ARG 22 -9.665 10.506 7.007 142 HH22 ARG 22 HH22 ARG 22 -8.909 9.893 8.438 143 H CYS 23 H CYS 23 -4.779 3.999 4.106 144 HA CYS 23 HA CYS 23 -4.771 2.395 1.627 145 HB2 CYS 23 HB2 CYS 23 -2.529 2.671 2.430 146 HB3 CYS 23 HB1 CYS 23 -2.997 2.255 4.074 147 H ARG 24 H ARG 24 -6.098 0.720 1.502 148 HA ARG 24 HA ARG 24 -7.238 -0.360 4.010 149 HB2 ARG 24 HB2 ARG 24 -8.842 0.796 2.446 150 HB3 ARG 24 HB1 ARG 24 -8.497 -0.466 1.262 151 HG2 ARG 24 HG2 ARG 24 -9.152 -2.160 3.001 152 HG3 ARG 24 HG1 ARG 24 -9.684 -0.823 4.021 153 HD2 ARG 24 HD2 ARG 24 -11.129 -0.074 2.060 154 HD3 ARG 24 HD1 ARG 24 -10.757 -1.630 1.314 155 HE ARG 24 HE ARG 24 -11.664 -2.100 3.924 156 HH11 ARG 24 HH11 ARG 24 -12.828 -0.927 0.857 157 HH12 ARG 24 HH12 ARG 24 -14.457 -1.434 1.143 158 HH21 ARG 24 HH21 ARG 24 -13.797 -2.757 4.276 159 HH22 ARG 24 HH22 ARG 24 -15.007 -2.459 3.072 160 H GLU 25 H GLU 25 -7.041 -2.496 4.403 161 HA GLU 25 HA GLU 25 -5.858 -4.163 2.258 162 HB2 GLU 25 HB2 GLU 25 -5.421 -4.220 5.250 163 HB3 GLU 25 HB1 GLU 25 -4.879 -5.500 4.164 164 HG2 GLU 25 HG2 GLU 25 -3.489 -3.932 2.929 165 HG3 GLU 25 HG1 GLU 25 -4.112 -2.582 3.876 166 H ILE 26 H ILE 26 -8.162 -4.498 1.701 167 HA ILE 26 HA ILE 26 -9.073 -7.022 2.425 168 HB ILE 26 HB ILE 26 -9.655 -5.962 4.614 169 HG12 ILE 26 HG12 ILE 26 -12.163 -6.584 3.060 170 HG13 ILE 26 HG11 ILE 26 -10.983 -7.837 3.446 171 HG21 ILE 26 HG21 ILE 26 -10.796 -4.012 4.753 172 HG22 ILE 26 HG22 ILE 26 -11.950 -4.515 3.518 173 HG23 ILE 26 HG23 ILE 26 -10.407 -3.808 3.047 174 HD11 ILE 26 HD11 ILE 26 -12.726 -7.775 5.169 175 HD12 ILE 26 HD12 ILE 26 -12.418 -6.060 5.443 176 HD13 ILE 26 HD13 ILE 26 -11.187 -7.255 5.855 177 H ASP 27 H ASP 27 -10.576 -7.686 0.945 178 HA ASP 27 HA ASP 27 -11.816 -7.597 -0.996 179 HB2 ASP 27 HB2 ASP 27 -12.763 -5.075 0.388 180 HB3 ASP 27 HB1 ASP 27 -13.506 -5.732 -1.070 181 H CYS 28 H CYS 28 -9.141 -6.398 -0.947 182 HA CYS 28 HA CYS 28 -9.446 -4.445 -3.147 183 HB2 CYS 28 HB2 CYS 28 -8.520 -3.338 -1.199 184 HB3 CYS 28 HB1 CYS 28 -7.307 -4.604 -1.012 185 H ASP 29 H ASP 29 -8.609 -5.036 -5.040 186 HA ASP 29 HA ASP 29 -6.503 -7.113 -5.072 187 HB2 ASP 29 HB2 ASP 29 -8.956 -6.886 -6.823 188 HB3 ASP 29 HB1 ASP 29 -7.565 -7.885 -7.242 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 12.183 -4.957 1.094 2 H2 GLY 1 HT2 GLY 1 12.950 -3.625 0.372 3 H3 GLY 1 HT3 GLY 1 12.935 -5.131 -0.415 4 HA2 GLY 1 HA2 GLY 1 10.473 -3.605 0.213 5 HA3 GLY 1 HA1 GLY 1 11.330 -3.470 -1.322 6 H ALA 2 H ALA 2 8.729 -4.859 -0.062 7 HA ALA 2 HA ALA 2 8.945 -7.597 -0.789 8 HB1 ALA 2 HB1 ALA 2 6.247 -6.722 -1.047 9 HB2 ALA 2 HB2 ALA 2 6.964 -5.877 0.325 10 HB3 ALA 2 HB3 ALA 2 6.976 -7.639 0.270 11 H MET 3 H MET 3 8.385 -8.674 -2.644 12 HA MET 3 HA MET 3 8.629 -7.252 -5.107 13 HB2 MET 3 HB2 MET 3 9.374 -9.602 -4.798 14 HB3 MET 3 HB1 MET 3 7.688 -10.092 -4.631 15 HG2 MET 3 HG2 MET 3 7.207 -9.218 -6.887 16 HG3 MET 3 HG1 MET 3 8.893 -8.730 -7.058 17 HE1 MET 3 HE1 MET 3 10.615 -11.350 -5.821 18 HE2 MET 3 HE2 MET 3 10.758 -9.996 -6.940 19 HE3 MET 3 HE3 MET 3 10.956 -11.644 -7.531 20 H GLY 4 H GLY 4 7.097 -6.375 -6.364 21 HA2 GLY 4 HA2 GLY 4 5.010 -6.053 -7.339 22 HA3 GLY 4 HA1 GLY 4 4.369 -7.334 -6.319 23 H ASN 5 H ASN 5 6.043 -5.174 -4.365 24 HA ASN 5 HA ASN 5 3.581 -4.175 -3.242 25 HB2 ASN 5 HB2 ASN 5 4.969 -3.191 -1.550 26 HB3 ASN 5 HB1 ASN 5 5.608 -4.795 -1.900 27 HD21 ASN 5 HD21 ASN 5 7.302 -2.832 -0.757 28 HD22 ASN 5 HD22 ASN 5 8.459 -2.369 -1.909 29 H VAL 6 H VAL 6 3.280 -1.835 -2.793 30 HA VAL 6 HA VAL 6 4.588 0.058 -4.546 31 HB VAL 6 HB VAL 6 3.093 -0.621 -6.197 32 HG11 VAL 6 HG11 VAL 6 1.711 -2.124 -4.809 33 HG12 VAL 6 HG12 VAL 6 0.674 -1.036 -5.733 34 HG13 VAL 6 HG13 VAL 6 0.974 -0.728 -4.022 35 HG21 VAL 6 HG21 VAL 6 3.013 1.868 -5.418 36 HG22 VAL 6 HG22 VAL 6 1.403 1.458 -4.829 37 HG23 VAL 6 HG23 VAL 6 1.781 1.300 -6.545 38 H ASN 7 H ASN 7 4.757 1.868 -3.484 39 HA ASN 7 HA ASN 7 3.154 2.347 -1.111 40 HB2 ASN 7 HB2 ASN 7 5.474 3.873 -2.311 41 HB3 ASN 7 HB1 ASN 7 4.704 4.251 -0.772 42 HD21 ASN 7 HD21 ASN 7 7.501 3.107 -1.576 43 HD22 ASN 7 HD22 ASN 7 7.681 1.777 -0.537 44 H CYS 8 H CYS 8 1.680 3.921 -0.862 45 HA CYS 8 HA CYS 8 0.754 5.253 -3.297 46 HB2 CYS 8 HB2 CYS 8 -0.856 4.033 -1.766 47 HB3 CYS 8 HB1 CYS 8 -0.541 5.281 -0.564 48 H GLY 9 H GLY 9 0.669 7.486 -3.521 49 HA2 GLY 9 HA2 GLY 9 2.694 8.990 -2.303 50 HA3 GLY 9 HA1 GLY 9 1.336 9.669 -3.197 51 H GLY 10 H GLY 10 -0.767 8.748 -1.551 52 HA2 GLY 10 HA2 GLY 10 -0.748 10.761 0.472 53 HA3 GLY 10 HA1 GLY 10 -2.005 9.557 0.218 54 H VAL 11 H VAL 11 -0.420 7.216 0.540 55 HA VAL 11 HA VAL 11 0.643 7.437 3.276 56 HB VAL 11 HB VAL 11 -0.686 5.110 3.509 57 HG11 VAL 11 HG11 VAL 11 -2.469 6.404 4.682 58 HG12 VAL 11 HG12 VAL 11 -1.810 7.888 3.986 59 HG13 VAL 11 HG13 VAL 11 -0.843 6.937 5.115 60 HG21 VAL 11 HG21 VAL 11 -2.575 6.855 1.913 61 HG22 VAL 11 HG22 VAL 11 -2.826 5.193 2.450 62 HG23 VAL 11 HG23 VAL 11 -1.651 5.544 1.183 63 HA PRO 12 HA PRO 12 3.350 4.271 1.659 64 HB2 PRO 12 HB2 PRO 12 4.498 3.382 3.949 65 HB3 PRO 12 HB1 PRO 12 4.856 4.996 3.304 66 HG2 PRO 12 HG2 PRO 12 3.096 4.207 5.560 67 HG3 PRO 12 HG1 PRO 12 4.122 5.639 5.371 68 HD2 PRO 12 HD2 PRO 12 1.356 5.578 4.950 69 HD3 PRO 12 HD1 PRO 12 2.457 6.831 4.340 70 H CYS 13 H CYS 13 2.574 2.341 0.970 71 HA CYS 13 HA CYS 13 1.398 0.486 2.915 72 HB2 CYS 13 HB2 CYS 13 -0.435 1.896 1.973 73 HB3 CYS 13 HB1 CYS 13 -0.015 1.321 0.361 74 H LYS 14 H LYS 14 2.057 -1.575 2.531 75 HA LYS 14 HA LYS 14 3.909 -2.154 0.473 76 HB2 LYS 14 HB2 LYS 14 2.300 -3.941 2.303 77 HB3 LYS 14 HB1 LYS 14 3.510 -4.555 1.175 78 HG2 LYS 14 HG2 LYS 14 5.194 -3.028 2.230 79 HG3 LYS 14 HG1 LYS 14 3.978 -2.577 3.424 80 HD2 LYS 14 HD2 LYS 14 4.821 -5.442 2.932 81 HD3 LYS 14 HD1 LYS 14 5.563 -4.416 4.160 82 HE2 LYS 14 HE2 LYS 14 3.325 -4.058 5.180 83 HE3 LYS 14 HE1 LYS 14 2.625 -5.151 3.986 84 HZ1 LYS 14 HZ1 LYS 14 3.764 -6.961 4.860 85 HZ2 LYS 14 HZ2 LYS 14 3.272 -6.106 6.243 86 HZ3 LYS 14 HZ3 LYS 14 4.878 -5.995 5.699 87 H PHE 15 H PHE 15 0.436 -2.859 0.770 88 HA PHE 15 HA PHE 15 0.054 -2.810 -2.040 89 HB2 PHE 15 HB2 PHE 15 1.216 -4.934 -2.022 90 HB3 PHE 15 HB1 PHE 15 0.151 -5.548 -0.755 91 HD1 PHE 15 HD1 PHE 15 0.241 -4.331 -4.272 92 HD2 PHE 15 HD2 PHE 15 -1.982 -6.462 -1.278 93 HE1 PHE 15 HE1 PHE 15 -1.373 -5.076 -6.001 94 HE2 PHE 15 HE2 PHE 15 -3.595 -7.208 -3.007 95 HZ PHE 15 HZ PHE 15 -3.291 -6.516 -5.368 96 H GLY 16 H GLY 16 -2.046 -2.462 -2.475 97 HA2 GLY 16 HA2 GLY 16 -4.318 -3.559 -1.542 98 HA3 GLY 16 HA1 GLY 16 -3.922 -2.423 -0.257 99 H CYS 17 H CYS 17 -6.050 -1.515 -0.958 100 HA CYS 17 HA CYS 17 -5.939 0.049 -3.441 101 HB2 CYS 17 HB2 CYS 17 -8.174 -0.306 -1.425 102 HB3 CYS 17 HB1 CYS 17 -8.302 0.532 -2.972 103 H CYS 18 H CYS 18 -5.517 2.193 -3.448 104 HA CYS 18 HA CYS 18 -5.236 3.513 -0.825 105 HB2 CYS 18 HB2 CYS 18 -3.202 3.392 -2.222 106 HB3 CYS 18 HB1 CYS 18 -4.038 4.278 -3.496 107 H ARG 19 H ARG 19 -6.844 4.800 -0.270 108 HA ARG 19 HA ARG 19 -7.997 6.635 -2.234 109 HB2 ARG 19 HB2 ARG 19 -9.490 4.696 -2.281 110 HB3 ARG 19 HB1 ARG 19 -9.642 4.751 -0.526 111 HG2 ARG 19 HG2 ARG 19 -11.583 5.820 -1.558 112 HG3 ARG 19 HG1 ARG 19 -10.627 7.026 -0.703 113 HD2 ARG 19 HD2 ARG 19 -9.580 7.722 -2.818 114 HD3 ARG 19 HD1 ARG 19 -10.479 6.478 -3.685 115 HE ARG 19 HE ARG 19 -12.338 8.036 -2.328 116 HH11 ARG 19 HH11 ARG 19 -9.924 8.446 -4.806 117 HH12 ARG 19 HH12 ARG 19 -10.773 9.735 -5.588 118 HH21 ARG 19 HH21 ARG 19 -13.424 9.728 -3.358 119 HH22 ARG 19 HH22 ARG 19 -12.745 10.458 -4.774 120 H GLU 20 H GLU 20 -8.557 8.593 -1.360 121 HA GLU 20 HA GLU 20 -8.517 10.318 0.158 122 HB2 GLU 20 HB2 GLU 20 -9.734 8.102 1.804 123 HB3 GLU 20 HB1 GLU 20 -9.582 9.756 2.397 124 HG2 GLU 20 HG2 GLU 20 -10.934 10.600 0.577 125 HG3 GLU 20 HG1 GLU 20 -10.961 9.018 -0.197 126 H ASP 21 H ASP 21 -6.040 9.113 -0.149 127 HA ASP 21 HA ASP 21 -3.968 8.964 0.823 128 HB2 ASP 21 HB2 ASP 21 -5.379 10.734 2.823 129 HB3 ASP 21 HB1 ASP 21 -3.652 10.384 2.884 130 H ARG 22 H ARG 22 -5.901 6.868 1.408 131 HA ARG 22 HA ARG 22 -4.630 5.828 3.851 132 HB2 ARG 22 HB2 ARG 22 -7.601 5.780 3.264 133 HB3 ARG 22 HB1 ARG 22 -6.822 4.843 4.540 134 HG2 ARG 22 HG2 ARG 22 -6.047 6.866 5.630 135 HG3 ARG 22 HG1 ARG 22 -6.648 7.857 4.303 136 HD2 ARG 22 HD2 ARG 22 -8.249 7.941 6.132 137 HD3 ARG 22 HD1 ARG 22 -8.955 7.044 4.790 138 HE ARG 22 HE ARG 22 -7.639 5.262 6.571 139 HH11 ARG 22 HH11 ARG 22 -10.479 7.261 6.266 140 HH12 ARG 22 HH12 ARG 22 -11.433 6.272 7.318 141 HH21 ARG 22 HH21 ARG 22 -8.903 4.001 7.958 142 HH22 ARG 22 HH22 ARG 22 -10.548 4.440 8.271 143 H CYS 23 H CYS 23 -4.352 3.568 3.859 144 HA CYS 23 HA CYS 23 -4.991 2.251 1.288 145 HB2 CYS 23 HB2 CYS 23 -2.597 2.591 1.444 146 HB3 CYS 23 HB1 CYS 23 -2.560 1.849 3.046 147 H ARG 24 H ARG 24 -6.215 0.500 1.382 148 HA ARG 24 HA ARG 24 -6.371 -0.994 3.928 149 HB2 ARG 24 HB2 ARG 24 -8.409 0.449 3.533 150 HB3 ARG 24 HB1 ARG 24 -8.722 -0.506 2.085 151 HG2 ARG 24 HG2 ARG 24 -8.762 -2.556 3.467 152 HG3 ARG 24 HG1 ARG 24 -8.517 -1.574 4.911 153 HD2 ARG 24 HD2 ARG 24 -10.612 -0.299 4.271 154 HD3 ARG 24 HD1 ARG 24 -10.883 -1.516 3.025 155 HE ARG 24 HE ARG 24 -10.465 -2.832 5.459 156 HH11 ARG 24 HH11 ARG 24 -12.779 -0.720 3.935 157 HH12 ARG 24 HH12 ARG 24 -14.120 -1.346 4.829 158 HH21 ARG 24 HH21 ARG 24 -12.235 -3.631 6.617 159 HH22 ARG 24 HH22 ARG 24 -13.815 -2.977 6.346 160 H GLU 25 H GLU 25 -6.274 -3.177 3.738 161 HA GLU 25 HA GLU 25 -6.371 -4.301 0.997 162 HB2 GLU 25 HB2 GLU 25 -4.052 -4.195 1.900 163 HB3 GLU 25 HB1 GLU 25 -4.567 -5.191 3.261 164 HG2 GLU 25 HG2 GLU 25 -5.213 -6.990 1.714 165 HG3 GLU 25 HG1 GLU 25 -4.729 -5.993 0.342 166 H ILE 26 H ILE 26 -8.645 -4.575 1.624 167 HA ILE 26 HA ILE 26 -9.385 -7.171 2.119 168 HB ILE 26 HB ILE 26 -8.575 -7.027 4.407 169 HG12 ILE 26 HG12 ILE 26 -11.578 -6.673 4.476 170 HG13 ILE 26 HG11 ILE 26 -10.791 -8.143 3.899 171 HG21 ILE 26 HG21 ILE 26 -8.655 -4.526 4.538 172 HG22 ILE 26 HG22 ILE 26 -9.349 -5.318 5.951 173 HG23 ILE 26 HG23 ILE 26 -10.407 -4.632 4.718 174 HD11 ILE 26 HD11 ILE 26 -11.002 -8.740 6.107 175 HD12 ILE 26 HD12 ILE 26 -10.992 -7.067 6.667 176 HD13 ILE 26 HD13 ILE 26 -9.479 -7.859 6.229 177 H ASP 27 H ASP 27 -11.455 -7.353 1.465 178 HA ASP 27 HA ASP 27 -13.545 -6.746 0.721 179 HB2 ASP 27 HB2 ASP 27 -13.277 -4.934 3.128 180 HB3 ASP 27 HB1 ASP 27 -14.766 -5.106 2.198 181 H CYS 28 H CYS 28 -11.137 -5.279 -0.307 182 HA CYS 28 HA CYS 28 -11.748 -2.552 -0.693 183 HB2 CYS 28 HB2 CYS 28 -9.522 -3.442 -1.156 184 HB3 CYS 28 HB1 CYS 28 -10.168 -4.423 -2.472 185 H ASP 29 H ASP 29 -12.407 -5.394 -2.729 186 HA ASP 29 HA ASP 29 -14.478 -3.796 -4.110 187 HB2 ASP 29 HB2 ASP 29 -12.504 -5.779 -5.234 188 HB3 ASP 29 HB1 ASP 29 -13.981 -5.339 -6.090 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 12.800 -15.915 -0.741 2 H2 GLY 1 HT2 GLY 1 11.301 -15.144 -0.533 3 H3 GLY 1 HT3 GLY 1 12.647 -14.647 0.376 4 HA2 GLY 1 HA2 GLY 1 13.756 -14.052 -1.780 5 HA3 GLY 1 HA1 GLY 1 12.174 -14.279 -2.524 6 H ALA 2 H ALA 2 13.602 -11.807 -2.433 7 HA ALA 2 HA ALA 2 12.723 -10.097 -0.358 8 HB1 ALA 2 HB1 ALA 2 13.311 -8.267 -1.920 9 HB2 ALA 2 HB2 ALA 2 13.500 -9.454 -3.213 10 HB3 ALA 2 HB3 ALA 2 14.580 -9.488 -1.819 11 H MET 3 H MET 3 10.962 -8.755 -0.178 12 HA MET 3 HA MET 3 8.764 -9.263 -2.091 13 HB2 MET 3 HB2 MET 3 8.287 -10.052 0.177 14 HB3 MET 3 HB1 MET 3 8.634 -8.446 0.821 15 HG2 MET 3 HG2 MET 3 6.788 -7.497 -0.480 16 HG3 MET 3 HG1 MET 3 6.464 -9.071 -1.205 17 HE1 MET 3 HE1 MET 3 3.387 -8.855 0.871 18 HE2 MET 3 HE2 MET 3 4.197 -8.485 -0.649 19 HE3 MET 3 HE3 MET 3 4.157 -7.280 0.636 20 H GLY 4 H GLY 4 8.046 -7.606 -3.267 21 HA2 GLY 4 HA2 GLY 4 9.199 -4.974 -2.914 22 HA3 GLY 4 HA1 GLY 4 8.098 -5.472 -4.194 23 H ASN 5 H ASN 5 7.519 -3.089 -3.307 24 HA ASN 5 HA ASN 5 4.999 -3.455 -1.920 25 HB2 ASN 5 HB2 ASN 5 5.480 -1.773 -0.186 26 HB3 ASN 5 HB1 ASN 5 6.524 -3.184 -0.032 27 HD21 ASN 5 HD21 ASN 5 7.924 -1.517 1.195 28 HD22 ASN 5 HD22 ASN 5 8.994 -0.576 0.273 29 H VAL 6 H VAL 6 3.985 -1.142 -1.580 30 HA VAL 6 HA VAL 6 4.590 0.498 -3.968 31 HB VAL 6 HB VAL 6 1.848 -0.111 -2.848 32 HG11 VAL 6 HG11 VAL 6 1.651 1.982 -3.836 33 HG12 VAL 6 HG12 VAL 6 1.289 0.917 -5.194 34 HG13 VAL 6 HG13 VAL 6 2.891 1.641 -5.041 35 HG21 VAL 6 HG21 VAL 6 2.070 -2.049 -4.006 36 HG22 VAL 6 HG22 VAL 6 3.539 -1.487 -4.810 37 HG23 VAL 6 HG23 VAL 6 1.958 -1.043 -5.454 38 H ASN 7 H ASN 7 4.586 2.704 -3.624 39 HA ASN 7 HA ASN 7 4.029 3.550 -0.842 40 HB2 ASN 7 HB2 ASN 7 5.935 4.794 -2.823 41 HB3 ASN 7 HB1 ASN 7 5.657 5.318 -1.161 42 HD21 ASN 7 HD21 ASN 7 7.998 3.836 -2.786 43 HD22 ASN 7 HD22 ASN 7 8.486 2.658 -1.665 44 H CYS 8 H CYS 8 2.084 4.459 -0.771 45 HA CYS 8 HA CYS 8 1.123 6.068 -3.012 46 HB2 CYS 8 HB2 CYS 8 -0.384 4.438 -1.759 47 HB3 CYS 8 HB1 CYS 8 -0.295 5.539 -0.387 48 H GLY 9 H GLY 9 0.605 8.299 -2.779 49 HA2 GLY 9 HA2 GLY 9 2.501 9.810 -1.384 50 HA3 GLY 9 HA1 GLY 9 1.001 10.450 -2.050 51 H GLY 10 H GLY 10 -0.845 8.982 -0.506 52 HA2 GLY 10 HA2 GLY 10 -0.878 10.557 1.872 53 HA3 GLY 10 HA1 GLY 10 -2.016 9.284 1.456 54 H VAL 11 H VAL 11 -0.208 7.112 1.234 55 HA VAL 11 HA VAL 11 1.182 6.947 3.807 56 HB VAL 11 HB VAL 11 -0.083 4.664 4.095 57 HG11 VAL 11 HG11 VAL 11 -1.800 5.813 5.467 58 HG12 VAL 11 HG12 VAL 11 -1.369 7.346 4.706 59 HG13 VAL 11 HG13 VAL 11 -0.195 6.501 5.719 60 HG21 VAL 11 HG21 VAL 11 -2.148 4.457 3.075 61 HG22 VAL 11 HG22 VAL 11 -1.277 5.327 1.813 62 HG23 VAL 11 HG23 VAL 11 -2.358 6.199 2.901 63 HA PRO 12 HA PRO 12 3.465 3.876 1.490 64 HB2 PRO 12 HB2 PRO 12 4.717 2.555 3.491 65 HB3 PRO 12 HB1 PRO 12 5.147 4.232 3.094 66 HG2 PRO 12 HG2 PRO 12 3.477 3.185 5.322 67 HG3 PRO 12 HG1 PRO 12 4.627 4.532 5.307 68 HD2 PRO 12 HD2 PRO 12 1.863 4.804 5.118 69 HD3 PRO 12 HD1 PRO 12 3.040 6.028 4.596 70 H CYS 13 H CYS 13 2.439 2.123 0.604 71 HA CYS 13 HA CYS 13 1.072 0.246 2.444 72 HB2 CYS 13 HB2 CYS 13 -0.505 1.890 1.381 73 HB3 CYS 13 HB1 CYS 13 -0.073 1.204 -0.185 74 H LYS 14 H LYS 14 1.785 -1.782 2.180 75 HA LYS 14 HA LYS 14 3.541 -2.563 0.131 76 HB2 LYS 14 HB2 LYS 14 1.805 -4.191 1.992 77 HB3 LYS 14 HB1 LYS 14 2.989 -4.906 0.898 78 HG2 LYS 14 HG2 LYS 14 4.775 -3.563 1.940 79 HG3 LYS 14 HG1 LYS 14 3.594 -2.838 3.032 80 HD2 LYS 14 HD2 LYS 14 3.073 -5.063 3.958 81 HD3 LYS 14 HD1 LYS 14 4.248 -5.796 2.866 82 HE2 LYS 14 HE2 LYS 14 6.048 -4.462 3.895 83 HE3 LYS 14 HE1 LYS 14 4.877 -3.719 4.985 84 HZ1 LYS 14 HZ1 LYS 14 5.566 -6.602 4.836 85 HZ2 LYS 14 HZ2 LYS 14 4.351 -5.947 5.825 86 HZ3 LYS 14 HZ3 LYS 14 5.977 -5.531 6.085 87 H PHE 15 H PHE 15 0.025 -3.000 0.447 88 HA PHE 15 HA PHE 15 -0.361 -2.989 -2.361 89 HB2 PHE 15 HB2 PHE 15 0.624 -5.201 -2.296 90 HB3 PHE 15 HB1 PHE 15 -0.497 -5.699 -1.025 91 HD1 PHE 15 HD1 PHE 15 -0.322 -4.495 -4.551 92 HD2 PHE 15 HD2 PHE 15 -2.677 -6.481 -1.559 93 HE1 PHE 15 HE1 PHE 15 -1.988 -5.122 -6.277 94 HE2 PHE 15 HE2 PHE 15 -4.343 -7.109 -3.284 95 HZ PHE 15 HZ PHE 15 -3.997 -6.428 -5.644 96 H GLY 16 H GLY 16 -2.395 -2.390 -2.763 97 HA2 GLY 16 HA2 GLY 16 -4.777 -3.261 -1.854 98 HA3 GLY 16 HA1 GLY 16 -4.264 -2.192 -0.549 99 H CYS 17 H CYS 17 -6.288 -1.048 -1.252 100 HA CYS 17 HA CYS 17 -5.924 0.581 -3.678 101 HB2 CYS 17 HB2 CYS 17 -8.316 0.285 -1.840 102 HB3 CYS 17 HB1 CYS 17 -8.277 1.215 -3.339 103 H CYS 18 H CYS 18 -5.293 2.667 -3.522 104 HA CYS 18 HA CYS 18 -5.157 3.837 -0.817 105 HB2 CYS 18 HB2 CYS 18 -3.028 3.639 -2.086 106 HB3 CYS 18 HB1 CYS 18 -3.705 4.677 -3.340 107 H ARG 19 H ARG 19 -6.874 5.048 -0.375 108 HA ARG 19 HA ARG 19 -7.675 7.119 -2.301 109 HB2 ARG 19 HB2 ARG 19 -9.572 5.243 -0.866 110 HB3 ARG 19 HB1 ARG 19 -10.064 6.678 -1.770 111 HG2 ARG 19 HG2 ARG 19 -9.111 5.758 -3.821 112 HG3 ARG 19 HG1 ARG 19 -8.498 4.359 -2.939 113 HD2 ARG 19 HD2 ARG 19 -10.569 3.734 -4.046 114 HD3 ARG 19 HD1 ARG 19 -10.847 3.787 -2.307 115 HE ARG 19 HE ARG 19 -11.461 6.306 -3.474 116 HH11 ARG 19 HH11 ARG 19 -12.630 3.031 -3.196 117 HH12 ARG 19 HH12 ARG 19 -14.290 3.482 -3.385 118 HH21 ARG 19 HH21 ARG 19 -13.638 6.864 -3.717 119 HH22 ARG 19 HH22 ARG 19 -14.859 5.635 -3.684 120 H GLU 20 H GLU 20 -8.575 8.989 -1.329 121 HA GLU 20 HA GLU 20 -8.605 10.630 0.288 122 HB2 GLU 20 HB2 GLU 20 -9.574 8.257 1.903 123 HB3 GLU 20 HB1 GLU 20 -9.667 9.935 2.440 124 HG2 GLU 20 HG2 GLU 20 -11.042 10.501 0.483 125 HG3 GLU 20 HG1 GLU 20 -10.929 8.839 -0.090 126 H ASP 21 H ASP 21 -6.082 9.481 -0.147 127 HA ASP 21 HA ASP 21 -3.985 9.327 0.767 128 HB2 ASP 21 HB2 ASP 21 -5.345 11.090 2.813 129 HB3 ASP 21 HB1 ASP 21 -3.614 10.753 2.814 130 H ARG 22 H ARG 22 -5.808 7.199 1.342 131 HA ARG 22 HA ARG 22 -4.484 6.102 3.708 132 HB2 ARG 22 HB2 ARG 22 -6.579 7.077 4.577 133 HB3 ARG 22 HB1 ARG 22 -7.498 6.133 3.402 134 HG2 ARG 22 HG2 ARG 22 -6.730 4.052 4.394 135 HG3 ARG 22 HG1 ARG 22 -5.655 4.927 5.485 136 HD2 ARG 22 HD2 ARG 22 -8.664 5.257 5.442 137 HD3 ARG 22 HD1 ARG 22 -7.802 4.206 6.562 138 HE ARG 22 HE ARG 22 -6.654 6.750 6.755 139 HH11 ARG 22 HH11 ARG 22 -9.718 5.198 7.346 140 HH12 ARG 22 HH12 ARG 22 -10.155 6.280 8.620 141 HH21 ARG 22 HH21 ARG 22 -7.249 8.147 8.430 142 HH22 ARG 22 HH22 ARG 22 -8.769 7.939 9.237 143 H CYS 23 H CYS 23 -3.988 3.972 3.431 144 HA CYS 23 HA CYS 23 -4.992 2.720 0.967 145 HB2 CYS 23 HB2 CYS 23 -2.556 2.823 1.179 146 HB3 CYS 23 HB1 CYS 23 -2.640 1.946 2.711 147 H ARG 24 H ARG 24 -6.491 1.213 1.063 148 HA ARG 24 HA ARG 24 -6.822 -0.330 3.567 149 HB2 ARG 24 HB2 ARG 24 -8.683 1.293 3.122 150 HB3 ARG 24 HB1 ARG 24 -9.015 0.426 1.623 151 HG2 ARG 24 HG2 ARG 24 -9.293 -1.667 2.962 152 HG3 ARG 24 HG1 ARG 24 -9.129 -0.699 4.429 153 HD2 ARG 24 HD2 ARG 24 -11.044 0.718 3.605 154 HD3 ARG 24 HD1 ARG 24 -11.261 -0.445 2.297 155 HE ARG 24 HE ARG 24 -11.218 -1.824 4.745 156 HH11 ARG 24 HH11 ARG 24 -13.195 0.419 2.956 157 HH12 ARG 24 HH12 ARG 24 -14.673 -0.132 3.665 158 HH21 ARG 24 HH21 ARG 24 -13.161 -2.530 5.654 159 HH22 ARG 24 HH22 ARG 24 -14.657 -1.794 5.184 160 H GLU 25 H GLU 25 -6.904 -2.517 3.367 161 HA GLU 25 HA GLU 25 -6.956 -3.613 0.615 162 HB2 GLU 25 HB2 GLU 25 -4.725 -3.803 1.696 163 HB3 GLU 25 HB1 GLU 25 -5.465 -4.726 3.003 164 HG2 GLU 25 HG2 GLU 25 -6.200 -6.440 1.399 165 HG3 GLU 25 HG1 GLU 25 -5.514 -5.503 0.073 166 H ILE 26 H ILE 26 -9.301 -3.627 1.033 167 HA ILE 26 HA ILE 26 -10.340 -6.142 1.468 168 HB ILE 26 HB ILE 26 -9.787 -6.090 3.799 169 HG12 ILE 26 HG12 ILE 26 -12.667 -5.185 3.657 170 HG13 ILE 26 HG11 ILE 26 -12.140 -6.775 3.101 171 HG21 ILE 26 HG21 ILE 26 -11.043 -4.015 5.030 172 HG22 ILE 26 HG22 ILE 26 -10.558 -3.249 3.519 173 HG23 ILE 26 HG23 ILE 26 -9.343 -3.987 4.561 174 HD11 ILE 26 HD11 ILE 26 -12.376 -7.471 5.234 175 HD12 ILE 26 HD12 ILE 26 -12.558 -5.817 5.824 176 HD13 ILE 26 HD13 ILE 26 -10.948 -6.507 5.608 177 H ASP 27 H ASP 27 -12.447 -6.192 0.835 178 HA ASP 27 HA ASP 27 -14.391 -5.426 -0.124 179 HB2 ASP 27 HB2 ASP 27 -14.067 -3.460 2.148 180 HB3 ASP 27 HB1 ASP 27 -15.514 -3.563 1.145 181 H CYS 28 H CYS 28 -11.987 -4.506 -1.375 182 HA CYS 28 HA CYS 28 -12.630 -1.735 -2.124 183 HB2 CYS 28 HB2 CYS 28 -10.292 -2.158 -1.528 184 HB3 CYS 28 HB1 CYS 28 -10.195 -3.419 -2.757 185 H ASP 29 H ASP 29 -13.802 -1.391 -3.885 186 HA ASP 29 HA ASP 29 -13.594 -3.298 -6.129 187 HB2 ASP 29 HB2 ASP 29 -16.097 -2.190 -4.859 188 HB3 ASP 29 HB1 ASP 29 -16.079 -2.842 -6.496 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 11.845 -17.128 -1.715 2 H2 GLY 1 HT2 GLY 1 12.640 -15.628 -1.769 3 H3 GLY 1 HT3 GLY 1 11.723 -16.153 -3.098 4 HA2 GLY 1 HA2 GLY 1 9.694 -16.003 -1.829 5 HA3 GLY 1 HA1 GLY 1 10.630 -15.521 -0.412 6 H ALA 2 H ALA 2 9.472 -14.540 -3.567 7 HA ALA 2 HA ALA 2 10.769 -12.036 -3.743 8 HB1 ALA 2 HB1 ALA 2 8.461 -13.357 -5.046 9 HB2 ALA 2 HB2 ALA 2 9.824 -12.494 -5.763 10 HB3 ALA 2 HB3 ALA 2 8.465 -11.594 -5.089 11 H MET 3 H MET 3 10.173 -9.991 -3.096 12 HA MET 3 HA MET 3 7.682 -9.584 -1.644 13 HB2 MET 3 HB2 MET 3 8.769 -8.787 0.390 14 HB3 MET 3 HB1 MET 3 9.228 -10.462 0.082 15 HG2 MET 3 HG2 MET 3 11.330 -9.680 -0.973 16 HG3 MET 3 HG1 MET 3 10.876 -8.013 -0.622 17 HE1 MET 3 HE1 MET 3 11.354 -7.255 2.768 18 HE2 MET 3 HE2 MET 3 9.802 -8.083 2.662 19 HE3 MET 3 HE3 MET 3 10.352 -7.086 1.318 20 H GLY 4 H GLY 4 7.326 -7.317 -1.105 21 HA2 GLY 4 HA2 GLY 4 9.024 -5.211 -1.877 22 HA3 GLY 4 HA1 GLY 4 7.947 -5.572 -3.223 23 H ASN 5 H ASN 5 7.477 -3.180 -2.489 24 HA ASN 5 HA ASN 5 4.929 -3.278 -1.107 25 HB2 ASN 5 HB2 ASN 5 5.529 -1.530 0.527 26 HB3 ASN 5 HB1 ASN 5 6.455 -3.008 0.778 27 HD21 ASN 5 HD21 ASN 5 7.967 -1.370 1.914 28 HD22 ASN 5 HD22 ASN 5 9.117 -0.581 0.946 29 H VAL 6 H VAL 6 4.015 -0.939 -0.969 30 HA VAL 6 HA VAL 6 4.827 0.563 -3.377 31 HB VAL 6 HB VAL 6 1.991 0.081 -2.463 32 HG11 VAL 6 HG11 VAL 6 3.210 2.059 -4.153 33 HG12 VAL 6 HG12 VAL 6 1.510 1.873 -3.722 34 HG13 VAL 6 HG13 VAL 6 2.162 1.026 -5.125 35 HG21 VAL 6 HG21 VAL 6 2.343 -1.922 -3.511 36 HG22 VAL 6 HG22 VAL 6 3.788 -1.337 -4.339 37 HG23 VAL 6 HG23 VAL 6 2.190 -0.958 -4.981 38 H ASN 7 H ASN 7 4.934 2.731 -3.136 39 HA ASN 7 HA ASN 7 4.282 3.772 -0.457 40 HB2 ASN 7 HB2 ASN 7 6.582 4.044 -0.924 41 HB3 ASN 7 HB1 ASN 7 6.259 4.669 -2.541 42 HD21 ASN 7 HD21 ASN 7 5.963 6.903 -2.745 43 HD22 ASN 7 HD22 ASN 7 5.846 7.974 -1.431 44 H CYS 8 H CYS 8 2.181 4.396 -0.622 45 HA CYS 8 HA CYS 8 1.271 5.956 -2.890 46 HB2 CYS 8 HB2 CYS 8 -0.218 4.323 -1.620 47 HB3 CYS 8 HB1 CYS 8 -0.205 5.476 -0.288 48 H GLY 9 H GLY 9 0.661 8.184 -2.752 49 HA2 GLY 9 HA2 GLY 9 2.474 9.801 -1.369 50 HA3 GLY 9 HA1 GLY 9 0.974 10.370 -2.090 51 H GLY 10 H GLY 10 -0.853 8.877 -0.536 52 HA2 GLY 10 HA2 GLY 10 -1.006 10.532 1.784 53 HA3 GLY 10 HA1 GLY 10 -2.077 9.197 1.390 54 H VAL 11 H VAL 11 -0.220 7.082 1.303 55 HA VAL 11 HA VAL 11 1.149 7.067 3.893 56 HB VAL 11 HB VAL 11 -0.088 4.764 4.252 57 HG11 VAL 11 HG11 VAL 11 -0.204 6.666 5.815 58 HG12 VAL 11 HG12 VAL 11 -1.799 5.938 5.603 59 HG13 VAL 11 HG13 VAL 11 -1.405 7.449 4.784 60 HG21 VAL 11 HG21 VAL 11 -1.276 5.282 1.965 61 HG22 VAL 11 HG22 VAL 11 -2.329 6.291 2.957 62 HG23 VAL 11 HG23 VAL 11 -2.200 4.562 3.284 63 HA PRO 12 HA PRO 12 3.519 3.951 1.729 64 HB2 PRO 12 HB2 PRO 12 4.789 2.741 3.791 65 HB3 PRO 12 HB1 PRO 12 5.176 4.414 3.337 66 HG2 PRO 12 HG2 PRO 12 3.510 3.401 5.584 67 HG3 PRO 12 HG1 PRO 12 4.625 4.777 5.534 68 HD2 PRO 12 HD2 PRO 12 1.855 4.974 5.302 69 HD3 PRO 12 HD1 PRO 12 3.009 6.207 4.751 70 H CYS 13 H CYS 13 2.544 2.143 0.903 71 HA CYS 13 HA CYS 13 1.202 0.303 2.787 72 HB2 CYS 13 HB2 CYS 13 -0.411 1.897 1.701 73 HB3 CYS 13 HB1 CYS 13 0.032 1.201 0.143 74 H LYS 14 H LYS 14 1.869 -1.741 2.537 75 HA LYS 14 HA LYS 14 3.695 -2.554 0.574 76 HB2 LYS 14 HB2 LYS 14 3.399 -3.732 2.712 77 HB3 LYS 14 HB1 LYS 14 1.795 -4.261 2.201 78 HG2 LYS 14 HG2 LYS 14 2.782 -5.472 0.303 79 HG3 LYS 14 HG1 LYS 14 4.390 -4.928 0.782 80 HD2 LYS 14 HD2 LYS 14 4.147 -6.095 2.942 81 HD3 LYS 14 HD1 LYS 14 2.538 -6.641 2.468 82 HE2 LYS 14 HE2 LYS 14 3.504 -7.853 0.552 83 HE3 LYS 14 HE1 LYS 14 5.115 -7.302 1.013 84 HZ1 LYS 14 HZ1 LYS 14 3.879 -8.443 3.254 85 HZ2 LYS 14 HZ2 LYS 14 5.259 -8.980 2.422 86 HZ3 LYS 14 HZ3 LYS 14 3.718 -9.526 1.959 87 H PHE 15 H PHE 15 0.179 -3.105 0.783 88 HA PHE 15 HA PHE 15 -0.143 -2.970 -2.038 89 HB2 PHE 15 HB2 PHE 15 0.883 -5.168 -2.023 90 HB3 PHE 15 HB1 PHE 15 -0.259 -5.728 -0.798 91 HD1 PHE 15 HD1 PHE 15 -0.020 -4.397 -4.272 92 HD2 PHE 15 HD2 PHE 15 -2.414 -6.526 -1.410 93 HE1 PHE 15 HE1 PHE 15 -1.637 -4.975 -6.057 94 HE2 PHE 15 HE2 PHE 15 -4.033 -7.105 -3.197 95 HZ PHE 15 HZ PHE 15 -3.646 -6.330 -5.521 96 H GLY 16 H GLY 16 -2.191 -2.413 -2.467 97 HA2 GLY 16 HA2 GLY 16 -4.554 -3.389 -1.583 98 HA3 GLY 16 HA1 GLY 16 -4.090 -2.293 -0.284 99 H CYS 17 H CYS 17 -6.118 -1.190 -0.960 100 HA CYS 17 HA CYS 17 -5.867 0.384 -3.433 101 HB2 CYS 17 HB2 CYS 17 -8.174 0.141 -1.481 102 HB3 CYS 17 HB1 CYS 17 -8.207 0.997 -3.021 103 H CYS 18 H CYS 18 -5.226 2.473 -3.361 104 HA CYS 18 HA CYS 18 -5.023 3.730 -0.699 105 HB2 CYS 18 HB2 CYS 18 -2.926 3.492 -2.028 106 HB3 CYS 18 HB1 CYS 18 -3.639 4.518 -3.272 107 H ARG 19 H ARG 19 -6.778 4.906 -0.278 108 HA ARG 19 HA ARG 19 -7.584 6.955 -2.221 109 HB2 ARG 19 HB2 ARG 19 -9.493 5.066 -0.819 110 HB3 ARG 19 HB1 ARG 19 -9.973 6.479 -1.756 111 HG2 ARG 19 HG2 ARG 19 -8.956 5.540 -3.768 112 HG3 ARG 19 HG1 ARG 19 -8.357 4.159 -2.849 113 HD2 ARG 19 HD2 ARG 19 -10.395 3.503 -3.999 114 HD3 ARG 19 HD1 ARG 19 -10.717 3.578 -2.270 115 HE ARG 19 HE ARG 19 -11.319 6.073 -3.501 116 HH11 ARG 19 HH11 ARG 19 -12.475 2.801 -3.157 117 HH12 ARG 19 HH12 ARG 19 -14.134 3.236 -3.387 118 HH21 ARG 19 HH21 ARG 19 -13.497 6.610 -3.804 119 HH22 ARG 19 HH22 ARG 19 -14.710 5.376 -3.748 120 H GLU 20 H GLU 20 -8.615 8.786 -1.253 121 HA GLU 20 HA GLU 20 -8.739 10.414 0.371 122 HB2 GLU 20 HB2 GLU 20 -9.577 7.956 1.921 123 HB3 GLU 20 HB1 GLU 20 -9.685 9.595 2.567 124 HG2 GLU 20 HG2 GLU 20 -11.188 10.269 0.803 125 HG3 GLU 20 HG1 GLU 20 -10.955 8.742 -0.046 126 H ASP 21 H ASP 21 -6.157 9.397 -0.093 127 HA ASP 21 HA ASP 21 -4.041 9.437 0.767 128 HB2 ASP 21 HB2 ASP 21 -5.488 11.038 2.878 129 HB3 ASP 21 HB1 ASP 21 -3.737 10.835 2.848 130 H ARG 22 H ARG 22 -5.935 7.235 1.568 131 HA ARG 22 HA ARG 22 -4.273 6.192 3.752 132 HB2 ARG 22 HB2 ARG 22 -7.299 6.169 3.717 133 HB3 ARG 22 HB1 ARG 22 -6.308 5.224 4.831 134 HG2 ARG 22 HG2 ARG 22 -5.332 7.239 5.765 135 HG3 ARG 22 HG1 ARG 22 -6.137 8.237 4.555 136 HD2 ARG 22 HD2 ARG 22 -7.597 6.511 6.570 137 HD3 ARG 22 HD1 ARG 22 -7.296 8.234 6.782 138 HE ARG 22 HE ARG 22 -8.533 7.905 4.295 139 HH11 ARG 22 HH11 ARG 22 -9.244 7.410 7.672 140 HH12 ARG 22 HH12 ARG 22 -10.943 7.674 7.477 141 HH21 ARG 22 HH21 ARG 22 -10.749 8.238 4.065 142 HH22 ARG 22 HH22 ARG 22 -11.792 8.138 5.445 143 H CYS 23 H CYS 23 -3.996 3.937 3.714 144 HA CYS 23 HA CYS 23 -4.886 2.681 1.198 145 HB2 CYS 23 HB2 CYS 23 -2.458 2.785 1.432 146 HB3 CYS 23 HB1 CYS 23 -2.555 1.957 2.990 147 H ARG 24 H ARG 24 -6.329 1.109 1.267 148 HA ARG 24 HA ARG 24 -6.807 -0.274 3.837 149 HB2 ARG 24 HB2 ARG 24 -8.693 1.172 3.014 150 HB3 ARG 24 HB1 ARG 24 -8.794 0.131 1.594 151 HG2 ARG 24 HG2 ARG 24 -9.089 -1.826 3.129 152 HG3 ARG 24 HG1 ARG 24 -9.173 -0.691 4.478 153 HD2 ARG 24 HD2 ARG 24 -11.061 0.467 3.263 154 HD3 ARG 24 HD1 ARG 24 -11.047 -0.869 2.111 155 HE ARG 24 HE ARG 24 -11.202 -1.923 4.707 156 HH11 ARG 24 HH11 ARG 24 -13.095 -0.050 2.464 157 HH12 ARG 24 HH12 ARG 24 -14.608 -0.616 3.081 158 HH21 ARG 24 HH21 ARG 24 -13.193 -2.657 5.492 159 HH22 ARG 24 HH22 ARG 24 -14.666 -2.082 4.786 160 H GLU 25 H GLU 25 -6.718 -2.461 3.854 161 HA GLU 25 HA GLU 25 -6.446 -3.825 1.240 162 HB2 GLU 25 HB2 GLU 25 -4.298 -3.728 2.490 163 HB3 GLU 25 HB1 GLU 25 -5.071 -4.577 3.830 164 HG2 GLU 25 HG2 GLU 25 -5.555 -6.489 2.370 165 HG3 GLU 25 HG1 GLU 25 -4.846 -5.639 0.998 166 H ILE 26 H ILE 26 -8.803 -3.979 1.480 167 HA ILE 26 HA ILE 26 -9.697 -6.511 2.105 168 HB ILE 26 HB ILE 26 -9.334 -6.128 4.459 169 HG12 ILE 26 HG12 ILE 26 -12.274 -5.638 3.960 170 HG13 ILE 26 HG11 ILE 26 -11.501 -7.196 3.665 171 HG21 ILE 26 HG21 ILE 26 -10.273 -3.448 3.757 172 HG22 ILE 26 HG22 ILE 26 -9.278 -3.968 5.118 173 HG23 ILE 26 HG23 ILE 26 -11.035 -4.077 5.219 174 HD11 ILE 26 HD11 ILE 26 -11.730 -7.686 5.848 175 HD12 ILE 26 HD12 ILE 26 -12.399 -6.085 6.163 176 HD13 ILE 26 HD13 ILE 26 -10.656 -6.340 6.233 177 H ASP 27 H ASP 27 -11.749 -6.806 1.366 178 HA ASP 27 HA ASP 27 -13.653 -6.329 0.175 179 HB2 ASP 27 HB2 ASP 27 -14.208 -5.491 2.503 180 HB3 ASP 27 HB1 ASP 27 -13.817 -3.874 1.922 181 H CYS 28 H CYS 28 -11.269 -5.400 -1.056 182 HA CYS 28 HA CYS 28 -12.409 -3.217 -2.651 183 HB2 CYS 28 HB2 CYS 28 -10.899 -2.148 -0.999 184 HB3 CYS 28 HB1 CYS 28 -9.575 -3.156 -1.588 185 H ASP 29 H ASP 29 -12.197 -3.596 -4.767 186 HA ASP 29 HA ASP 29 -10.150 -5.546 -5.638 187 HB2 ASP 29 HB2 ASP 29 -13.027 -5.258 -6.503 188 HB3 ASP 29 HB1 ASP 29 -11.833 -6.140 -7.455 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 12.084 -15.792 -2.540 2 H2 GLY 1 HT2 GLY 1 12.019 -16.791 -3.913 3 H3 GLY 1 HT3 GLY 1 11.114 -17.182 -2.529 4 HA2 GLY 1 HA2 GLY 1 9.955 -16.070 -4.547 5 HA3 GLY 1 HA1 GLY 1 9.539 -15.579 -2.904 6 H ALA 2 H ALA 2 9.062 -13.433 -3.266 7 HA ALA 2 HA ALA 2 11.348 -11.702 -3.829 8 HB1 ALA 2 HB1 ALA 2 10.498 -11.880 -6.041 9 HB2 ALA 2 HB2 ALA 2 9.893 -10.345 -5.419 10 HB3 ALA 2 HB3 ALA 2 8.828 -11.748 -5.489 11 H MET 3 H MET 3 11.076 -9.557 -3.074 12 HA MET 3 HA MET 3 8.687 -9.120 -1.388 13 HB2 MET 3 HB2 MET 3 11.584 -8.630 -0.671 14 HB3 MET 3 HB1 MET 3 10.224 -7.983 0.249 15 HG2 MET 3 HG2 MET 3 9.399 -10.226 0.703 16 HG3 MET 3 HG1 MET 3 10.646 -10.928 -0.330 17 HE1 MET 3 HE1 MET 3 9.644 -8.939 2.533 18 HE2 MET 3 HE2 MET 3 11.088 -7.929 2.527 19 HE3 MET 3 HE3 MET 3 10.864 -9.127 3.800 20 H GLY 4 H GLY 4 7.975 -7.004 -1.199 21 HA2 GLY 4 HA2 GLY 4 9.346 -4.723 -2.159 22 HA3 GLY 4 HA1 GLY 4 8.263 -5.319 -3.413 23 H ASN 5 H ASN 5 7.596 -2.925 -2.710 24 HA ASN 5 HA ASN 5 5.096 -3.251 -1.278 25 HB2 ASN 5 HB2 ASN 5 5.551 -1.437 0.331 26 HB3 ASN 5 HB1 ASN 5 6.624 -2.811 0.576 27 HD21 ASN 5 HD21 ASN 5 7.970 -1.004 1.670 28 HD22 ASN 5 HD22 ASN 5 9.024 -0.120 0.676 29 H VAL 6 H VAL 6 4.009 -0.967 -1.112 30 HA VAL 6 HA VAL 6 4.585 0.549 -3.587 31 HB VAL 6 HB VAL 6 1.850 -0.142 -2.498 32 HG11 VAL 6 HG11 VAL 6 2.841 1.801 -4.431 33 HG12 VAL 6 HG12 VAL 6 1.244 1.659 -3.698 34 HG13 VAL 6 HG13 VAL 6 1.642 0.713 -5.131 35 HG21 VAL 6 HG21 VAL 6 3.663 -1.517 -4.355 36 HG22 VAL 6 HG22 VAL 6 2.070 -1.204 -5.043 37 HG23 VAL 6 HG23 VAL 6 2.218 -2.125 -3.544 38 H ASN 7 H ASN 7 4.449 2.772 -3.380 39 HA ASN 7 HA ASN 7 3.777 3.740 -0.663 40 HB2 ASN 7 HB2 ASN 7 5.676 4.978 -2.653 41 HB3 ASN 7 HB1 ASN 7 5.329 5.562 -1.027 42 HD21 ASN 7 HD21 ASN 7 7.769 4.103 -2.540 43 HD22 ASN 7 HD22 ASN 7 8.293 3.018 -1.346 44 H CYS 8 H CYS 8 1.756 4.500 -0.738 45 HA CYS 8 HA CYS 8 0.810 5.952 -3.082 46 HB2 CYS 8 HB2 CYS 8 -0.652 4.313 -1.771 47 HB3 CYS 8 HB1 CYS 8 -0.680 5.513 -0.482 48 H GLY 9 H GLY 9 0.213 8.163 -3.023 49 HA2 GLY 9 HA2 GLY 9 1.956 9.843 -1.624 50 HA3 GLY 9 HA1 GLY 9 0.472 10.369 -2.414 51 H GLY 10 H GLY 10 -1.380 8.884 -0.892 52 HA2 GLY 10 HA2 GLY 10 -1.659 10.592 1.374 53 HA3 GLY 10 HA1 GLY 10 -2.688 9.225 0.972 54 H VAL 11 H VAL 11 -0.744 7.160 0.999 55 HA VAL 11 HA VAL 11 0.496 7.245 3.651 56 HB VAL 11 HB VAL 11 -0.684 4.895 3.981 57 HG11 VAL 11 HG11 VAL 11 -2.413 6.013 5.318 58 HG12 VAL 11 HG12 VAL 11 -2.117 7.528 4.463 59 HG13 VAL 11 HG13 VAL 11 -0.870 6.847 5.508 60 HG21 VAL 11 HG21 VAL 11 -1.817 5.159 1.726 61 HG22 VAL 11 HG22 VAL 11 -2.783 6.447 2.446 62 HG23 VAL 11 HG23 VAL 11 -2.901 4.803 3.070 63 HA PRO 12 HA PRO 12 3.086 4.196 1.644 64 HB2 PRO 12 HB2 PRO 12 4.339 3.101 3.787 65 HB3 PRO 12 HB1 PRO 12 4.681 4.766 3.275 66 HG2 PRO 12 HG2 PRO 12 3.013 3.789 5.530 67 HG3 PRO 12 HG1 PRO 12 4.055 5.217 5.426 68 HD2 PRO 12 HD2 PRO 12 1.280 5.243 5.139 69 HD3 PRO 12 HD1 PRO 12 2.376 6.519 4.574 70 H CYS 13 H CYS 13 2.226 2.322 0.839 71 HA CYS 13 HA CYS 13 0.896 0.477 2.740 72 HB2 CYS 13 HB2 CYS 13 -0.717 1.973 1.520 73 HB3 CYS 13 HB1 CYS 13 -0.191 1.220 0.018 74 H LYS 14 H LYS 14 1.762 -1.505 2.624 75 HA LYS 14 HA LYS 14 3.624 -2.315 0.696 76 HB2 LYS 14 HB2 LYS 14 3.410 -3.385 2.900 77 HB3 LYS 14 HB1 LYS 14 1.843 -4.046 2.429 78 HG2 LYS 14 HG2 LYS 14 2.909 -5.290 0.592 79 HG3 LYS 14 HG1 LYS 14 4.478 -4.620 1.043 80 HD2 LYS 14 HD2 LYS 14 4.306 -5.681 3.257 81 HD3 LYS 14 HD1 LYS 14 2.729 -6.341 2.827 82 HE2 LYS 14 HE2 LYS 14 3.758 -7.609 0.979 83 HE3 LYS 14 HE1 LYS 14 5.338 -6.950 1.404 84 HZ1 LYS 14 HZ1 LYS 14 4.955 -7.919 3.670 85 HZ2 LYS 14 HZ2 LYS 14 5.195 -9.051 2.427 86 HZ3 LYS 14 HZ3 LYS 14 3.630 -8.754 3.020 87 H PHE 15 H PHE 15 0.143 -3.061 0.951 88 HA PHE 15 HA PHE 15 -0.161 -3.128 -1.880 89 HB2 PHE 15 HB2 PHE 15 0.956 -5.271 -1.695 90 HB3 PHE 15 HB1 PHE 15 -0.177 -5.790 -0.446 91 HD1 PHE 15 HD1 PHE 15 0.032 -4.681 -4.002 92 HD2 PHE 15 HD2 PHE 15 -2.264 -6.749 -1.021 93 HE1 PHE 15 HE1 PHE 15 -1.530 -5.471 -5.757 94 HE2 PHE 15 HE2 PHE 15 -3.833 -7.535 -2.773 95 HZ PHE 15 HZ PHE 15 -3.467 -6.894 -5.141 96 H GLY 16 H GLY 16 -2.204 -2.628 -2.341 97 HA2 GLY 16 HA2 GLY 16 -4.558 -3.630 -1.485 98 HA3 GLY 16 HA1 GLY 16 -4.156 -2.496 -0.198 99 H CYS 17 H CYS 17 -6.250 -1.527 -1.032 100 HA CYS 17 HA CYS 17 -5.902 0.038 -3.492 101 HB2 CYS 17 HB2 CYS 17 -8.316 -0.338 -1.704 102 HB3 CYS 17 HB1 CYS 17 -8.295 0.574 -3.213 103 H CYS 18 H CYS 18 -5.423 2.157 -3.443 104 HA CYS 18 HA CYS 18 -5.337 3.481 -0.813 105 HB2 CYS 18 HB2 CYS 18 -3.220 3.364 -2.082 106 HB3 CYS 18 HB1 CYS 18 -3.980 4.234 -3.412 107 H ARG 19 H ARG 19 -7.006 4.747 -0.369 108 HA ARG 19 HA ARG 19 -7.919 6.725 -2.280 109 HB2 ARG 19 HB2 ARG 19 -9.252 4.552 -2.677 110 HB3 ARG 19 HB1 ARG 19 -9.990 4.875 -1.110 111 HG2 ARG 19 HG2 ARG 19 -11.437 5.866 -2.741 112 HG3 ARG 19 HG1 ARG 19 -10.556 7.199 -1.997 113 HD2 ARG 19 HD2 ARG 19 -9.060 7.368 -3.864 114 HD3 ARG 19 HD1 ARG 19 -9.637 5.849 -4.543 115 HE ARG 19 HE ARG 19 -11.831 7.577 -4.348 116 HH11 ARG 19 HH11 ARG 19 -8.776 7.378 -6.015 117 HH12 ARG 19 HH12 ARG 19 -9.336 8.259 -7.394 118 HH21 ARG 19 HH21 ARG 19 -12.542 8.718 -6.162 119 HH22 ARG 19 HH22 ARG 19 -11.458 9.015 -7.479 120 H GLU 20 H GLU 20 -9.083 8.436 -1.266 121 HA GLU 20 HA GLU 20 -9.528 9.887 0.464 122 HB2 GLU 20 HB2 GLU 20 -10.095 7.317 1.966 123 HB3 GLU 20 HB1 GLU 20 -10.592 8.934 2.465 124 HG2 GLU 20 HG2 GLU 20 -11.399 7.619 -0.143 125 HG3 GLU 20 HG1 GLU 20 -12.410 7.686 1.299 126 H ASP 21 H ASP 21 -6.832 9.108 0.056 127 HA ASP 21 HA ASP 21 -4.768 9.258 1.035 128 HB2 ASP 21 HB2 ASP 21 -6.444 10.669 3.115 129 HB3 ASP 21 HB1 ASP 21 -4.684 10.600 3.168 130 H ARG 22 H ARG 22 -6.530 6.907 1.622 131 HA ARG 22 HA ARG 22 -4.970 5.889 3.898 132 HB2 ARG 22 HB2 ARG 22 -7.975 5.664 3.588 133 HB3 ARG 22 HB1 ARG 22 -7.023 4.731 4.742 134 HG2 ARG 22 HG2 ARG 22 -6.211 6.824 5.770 135 HG3 ARG 22 HG1 ARG 22 -7.180 7.756 4.625 136 HD2 ARG 22 HD2 ARG 22 -9.227 6.675 5.486 137 HD3 ARG 22 HD1 ARG 22 -8.261 5.766 6.642 138 HE ARG 22 HE ARG 22 -8.985 8.572 6.807 139 HH11 ARG 22 HH11 ARG 22 -6.781 6.071 7.842 140 HH12 ARG 22 HH12 ARG 22 -6.336 6.898 9.293 141 HH21 ARG 22 HH21 ARG 22 -8.387 9.625 8.715 142 HH22 ARG 22 HH22 ARG 22 -7.234 8.898 9.784 143 H CYS 23 H CYS 23 -4.619 3.608 3.822 144 HA CYS 23 HA CYS 23 -5.361 2.384 1.232 145 HB2 CYS 23 HB2 CYS 23 -2.950 2.814 1.330 146 HB3 CYS 23 HB1 CYS 23 -2.843 1.899 2.839 147 H ARG 24 H ARG 24 -6.538 0.617 1.315 148 HA ARG 24 HA ARG 24 -6.580 -0.962 3.820 149 HB2 ARG 24 HB2 ARG 24 -8.658 0.387 3.510 150 HB3 ARG 24 HB1 ARG 24 -8.926 -0.441 1.974 151 HG2 ARG 24 HG2 ARG 24 -8.858 -2.629 3.246 152 HG3 ARG 24 HG1 ARG 24 -8.842 -1.686 4.736 153 HD2 ARG 24 HD2 ARG 24 -10.985 -1.565 2.599 154 HD3 ARG 24 HD1 ARG 24 -11.133 -2.391 4.143 155 HE ARG 24 HE ARG 24 -11.244 0.479 3.689 156 HH11 ARG 24 HH11 ARG 24 -10.820 -2.109 5.995 157 HH12 ARG 24 HH12 ARG 24 -11.282 -1.135 7.345 158 HH21 ARG 24 HH21 ARG 24 -11.853 1.718 5.475 159 HH22 ARG 24 HH22 ARG 24 -11.864 1.015 7.057 160 H GLU 25 H GLU 25 -6.211 -3.104 3.566 161 HA GLU 25 HA GLU 25 -6.223 -4.156 0.799 162 HB2 GLU 25 HB2 GLU 25 -4.007 -4.162 1.936 163 HB3 GLU 25 HB1 GLU 25 -4.690 -5.188 3.199 164 HG2 GLU 25 HG2 GLU 25 -5.230 -6.911 1.528 165 HG3 GLU 25 HG1 GLU 25 -4.581 -5.887 0.249 166 H ILE 26 H ILE 26 -8.551 -4.386 1.165 167 HA ILE 26 HA ILE 26 -9.408 -6.981 1.504 168 HB ILE 26 HB ILE 26 -8.855 -6.879 3.877 169 HG12 ILE 26 HG12 ILE 26 -11.838 -6.469 3.665 170 HG13 ILE 26 HG11 ILE 26 -11.044 -7.921 3.054 171 HG21 ILE 26 HG21 ILE 26 -10.055 -5.173 5.304 172 HG22 ILE 26 HG22 ILE 26 -10.523 -4.357 3.814 173 HG23 ILE 26 HG23 ILE 26 -8.819 -4.494 4.244 174 HD11 ILE 26 HD11 ILE 26 -10.218 -7.172 5.778 175 HD12 ILE 26 HD12 ILE 26 -10.694 -8.746 5.139 176 HD13 ILE 26 HD13 ILE 26 -11.926 -7.588 5.638 177 H ASP 27 H ASP 27 -11.646 -7.178 1.111 178 HA ASP 27 HA ASP 27 -13.654 -6.514 0.214 179 HB2 ASP 27 HB2 ASP 27 -13.166 -4.263 2.171 180 HB3 ASP 27 HB1 ASP 27 -14.673 -4.470 1.281 181 H CYS 28 H CYS 28 -11.307 -5.819 -1.263 182 HA CYS 28 HA CYS 28 -12.416 -3.598 -2.822 183 HB2 CYS 28 HB2 CYS 28 -10.738 -2.574 -1.317 184 HB3 CYS 28 HB1 CYS 28 -9.518 -3.684 -1.943 185 H ASP 29 H ASP 29 -12.357 -4.030 -4.946 186 HA ASP 29 HA ASP 29 -10.261 -5.394 -6.273 187 HB2 ASP 29 HB2 ASP 29 -11.218 -7.337 -5.053 188 HB3 ASP 29 HB1 ASP 29 -12.770 -7.032 -5.830 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 10.338 -12.038 -7.837 2 H2 GLY 1 HT2 GLY 1 10.069 -11.411 -6.282 3 H3 GLY 1 HT3 GLY 1 11.111 -12.737 -6.497 4 HA2 GLY 1 HA2 GLY 1 12.752 -11.245 -6.486 5 HA3 GLY 1 HA1 GLY 1 12.214 -10.889 -8.128 6 H ALA 2 H ALA 2 10.064 -9.466 -8.042 7 HA ALA 2 HA ALA 2 10.837 -6.933 -7.041 8 HB1 ALA 2 HB1 ALA 2 8.787 -6.128 -7.923 9 HB2 ALA 2 HB2 ALA 2 8.017 -7.708 -7.781 10 HB3 ALA 2 HB3 ALA 2 9.266 -7.442 -8.997 11 H MET 3 H MET 3 10.196 -5.777 -5.269 12 HA MET 3 HA MET 3 9.520 -7.183 -2.917 13 HB2 MET 3 HB2 MET 3 9.477 -4.233 -3.578 14 HB3 MET 3 HB1 MET 3 9.172 -4.871 -1.962 15 HG2 MET 3 HG2 MET 3 11.370 -5.916 -1.907 16 HG3 MET 3 HG1 MET 3 11.675 -5.439 -3.578 17 HE1 MET 3 HE1 MET 3 10.492 -2.698 -0.292 18 HE2 MET 3 HE2 MET 3 11.850 -3.644 0.312 19 HE3 MET 3 HE3 MET 3 10.438 -4.464 -0.346 20 H GLY 4 H GLY 4 7.592 -5.253 -5.168 21 HA2 GLY 4 HA2 GLY 4 5.322 -5.439 -5.623 22 HA3 GLY 4 HA1 GLY 4 5.180 -6.608 -4.319 23 H ASN 5 H ASN 5 6.805 -4.014 -3.069 24 HA ASN 5 HA ASN 5 4.566 -3.168 -1.508 25 HB2 ASN 5 HB2 ASN 5 7.404 -2.202 -1.785 26 HB3 ASN 5 HB1 ASN 5 6.251 -1.457 -0.676 27 HD21 ASN 5 HD21 ASN 5 8.623 -2.811 0.264 28 HD22 ASN 5 HD22 ASN 5 8.129 -4.200 1.107 29 H VAL 6 H VAL 6 3.416 -1.273 -1.587 30 HA VAL 6 HA VAL 6 3.786 0.360 -4.031 31 HB VAL 6 HB VAL 6 1.247 -0.175 -2.484 32 HG11 VAL 6 HG11 VAL 6 1.965 1.604 -4.782 33 HG12 VAL 6 HG12 VAL 6 0.867 1.904 -3.434 34 HG13 VAL 6 HG13 VAL 6 0.370 0.849 -4.758 35 HG21 VAL 6 HG21 VAL 6 2.540 -1.433 -4.854 36 HG22 VAL 6 HG22 VAL 6 0.797 -1.178 -4.939 37 HG23 VAL 6 HG23 VAL 6 1.485 -2.151 -3.638 38 H ASN 7 H ASN 7 3.799 2.585 -3.846 39 HA ASN 7 HA ASN 7 3.623 3.642 -1.084 40 HB2 ASN 7 HB2 ASN 7 5.483 4.571 -3.278 41 HB3 ASN 7 HB1 ASN 7 5.358 5.258 -1.657 42 HD21 ASN 7 HD21 ASN 7 7.498 3.509 -3.242 43 HD22 ASN 7 HD22 ASN 7 7.955 2.371 -2.067 44 H CYS 8 H CYS 8 1.739 4.686 -0.972 45 HA CYS 8 HA CYS 8 0.766 6.207 -3.267 46 HB2 CYS 8 HB2 CYS 8 -0.858 4.843 -2.023 47 HB3 CYS 8 HB1 CYS 8 -0.501 5.725 -0.546 48 H GLY 9 H GLY 9 0.432 8.461 -3.207 49 HA2 GLY 9 HA2 GLY 9 2.474 9.952 -2.034 50 HA3 GLY 9 HA1 GLY 9 0.987 10.635 -2.684 51 H GLY 10 H GLY 10 -0.858 9.414 -0.891 52 HA2 GLY 10 HA2 GLY 10 -0.649 11.227 1.305 53 HA3 GLY 10 HA1 GLY 10 -1.869 9.974 1.105 54 H VAL 11 H VAL 11 -0.257 7.690 1.018 55 HA VAL 11 HA VAL 11 1.419 7.693 3.416 56 HB VAL 11 HB VAL 11 -0.058 5.537 4.030 57 HG11 VAL 11 HG11 VAL 11 -1.032 8.282 4.855 58 HG12 VAL 11 HG12 VAL 11 0.556 7.701 5.355 59 HG13 VAL 11 HG13 VAL 11 -0.895 6.822 5.837 60 HG21 VAL 11 HG21 VAL 11 -2.407 5.962 3.674 61 HG22 VAL 11 HG22 VAL 11 -1.605 6.086 2.108 62 HG23 VAL 11 HG23 VAL 11 -2.073 7.548 2.978 63 HA PRO 12 HA PRO 12 3.144 4.226 1.256 64 HB2 PRO 12 HB2 PRO 12 4.414 2.900 3.242 65 HB3 PRO 12 HB1 PRO 12 4.948 4.508 2.713 66 HG2 PRO 12 HG2 PRO 12 3.405 3.728 5.128 67 HG3 PRO 12 HG1 PRO 12 4.619 5.000 4.921 68 HD2 PRO 12 HD2 PRO 12 1.840 5.397 4.916 69 HD3 PRO 12 HD1 PRO 12 3.048 6.548 4.304 70 H CYS 13 H CYS 13 1.981 2.575 0.497 71 HA CYS 13 HA CYS 13 0.316 0.965 2.348 72 HB2 CYS 13 HB2 CYS 13 -0.768 2.431 0.519 73 HB3 CYS 13 HB1 CYS 13 -0.118 1.264 -0.622 74 H LYS 14 H LYS 14 1.272 -1.003 2.713 75 HA LYS 14 HA LYS 14 3.343 -2.096 1.214 76 HB2 LYS 14 HB2 LYS 14 2.713 -2.899 3.460 77 HB3 LYS 14 HB1 LYS 14 1.234 -3.591 2.792 78 HG2 LYS 14 HG2 LYS 14 2.558 -5.052 1.326 79 HG3 LYS 14 HG1 LYS 14 4.048 -4.351 1.958 80 HD2 LYS 14 HD2 LYS 14 3.467 -5.146 4.221 81 HD3 LYS 14 HD1 LYS 14 1.979 -5.853 3.590 82 HE2 LYS 14 HE2 LYS 14 3.293 -7.315 2.104 83 HE3 LYS 14 HE1 LYS 14 4.785 -6.603 2.716 84 HZ1 LYS 14 HZ1 LYS 14 3.210 -7.425 4.889 85 HZ2 LYS 14 HZ2 LYS 14 4.735 -8.000 4.410 86 HZ3 LYS 14 HZ3 LYS 14 3.322 -8.716 3.795 87 H PHE 15 H PHE 15 -0.137 -2.827 1.011 88 HA PHE 15 HA PHE 15 -0.087 -3.098 -1.814 89 HB2 PHE 15 HB2 PHE 15 1.047 -5.208 -1.352 90 HB3 PHE 15 HB1 PHE 15 -0.231 -5.675 -0.230 91 HD1 PHE 15 HD1 PHE 15 0.451 -4.817 -3.795 92 HD2 PHE 15 HD2 PHE 15 -2.240 -6.669 -1.005 93 HE1 PHE 15 HE1 PHE 15 -0.868 -5.742 -5.682 94 HE2 PHE 15 HE2 PHE 15 -3.558 -7.595 -2.892 95 HZ PHE 15 HZ PHE 15 -2.872 -7.131 -5.229 96 H GLY 16 H GLY 16 -1.929 -1.893 -1.889 97 HA2 GLY 16 HA2 GLY 16 -4.428 -3.144 -1.490 98 HA3 GLY 16 HA1 GLY 16 -4.107 -2.068 -0.134 99 H CYS 17 H CYS 17 -6.010 -0.907 -0.912 100 HA CYS 17 HA CYS 17 -5.579 0.686 -3.354 101 HB2 CYS 17 HB2 CYS 17 -8.044 0.384 -1.618 102 HB3 CYS 17 HB1 CYS 17 -7.957 1.245 -3.155 103 H CYS 18 H CYS 18 -5.183 2.850 -3.258 104 HA CYS 18 HA CYS 18 -5.036 4.051 -0.569 105 HB2 CYS 18 HB2 CYS 18 -2.962 4.127 -1.877 106 HB3 CYS 18 HB1 CYS 18 -3.806 4.957 -3.184 107 H ARG 19 H ARG 19 -6.821 5.127 -0.017 108 HA ARG 19 HA ARG 19 -7.938 7.049 -1.944 109 HB2 ARG 19 HB2 ARG 19 -9.564 5.076 -0.320 110 HB3 ARG 19 HB1 ARG 19 -10.235 6.414 -1.253 111 HG2 ARG 19 HG2 ARG 19 -9.286 5.483 -3.315 112 HG3 ARG 19 HG1 ARG 19 -8.556 4.164 -2.400 113 HD2 ARG 19 HD2 ARG 19 -10.621 3.357 -3.382 114 HD3 ARG 19 HD1 ARG 19 -10.851 3.499 -1.641 115 HE ARG 19 HE ARG 19 -11.645 5.905 -2.924 116 HH11 ARG 19 HH11 ARG 19 -12.612 2.590 -2.446 117 HH12 ARG 19 HH12 ARG 19 -14.298 2.931 -2.623 118 HH21 ARG 19 HH21 ARG 19 -13.851 6.324 -3.148 119 HH22 ARG 19 HH22 ARG 19 -14.999 5.034 -3.022 120 H GLU 20 H GLU 20 -8.828 8.898 -1.008 121 HA GLU 20 HA GLU 20 -8.840 10.607 0.541 122 HB2 GLU 20 HB2 GLU 20 -9.853 8.300 2.215 123 HB3 GLU 20 HB1 GLU 20 -9.967 9.998 2.678 124 HG2 GLU 20 HG2 GLU 20 -11.291 10.476 0.661 125 HG3 GLU 20 HG1 GLU 20 -11.157 8.789 0.164 126 H ASP 21 H ASP 21 -6.277 9.579 0.240 127 HA ASP 21 HA ASP 21 -4.218 9.491 1.266 128 HB2 ASP 21 HB2 ASP 21 -5.074 11.770 1.979 129 HB3 ASP 21 HB1 ASP 21 -5.561 11.023 3.499 130 H ARG 22 H ARG 22 -5.840 7.234 1.665 131 HA ARG 22 HA ARG 22 -4.749 6.291 4.213 132 HB2 ARG 22 HB2 ARG 22 -7.039 7.012 4.745 133 HB3 ARG 22 HB1 ARG 22 -7.664 5.975 3.459 134 HG2 ARG 22 HG2 ARG 22 -6.761 3.993 4.582 135 HG3 ARG 22 HG1 ARG 22 -6.064 5.006 5.846 136 HD2 ARG 22 HD2 ARG 22 -8.322 5.788 6.463 137 HD3 ARG 22 HD1 ARG 22 -9.020 4.764 5.213 138 HE ARG 22 HE ARG 22 -7.992 3.908 7.787 139 HH11 ARG 22 HH11 ARG 22 -8.814 2.976 4.525 140 HH12 ARG 22 HH12 ARG 22 -9.031 1.310 4.934 141 HH21 ARG 22 HH21 ARG 22 -8.280 1.722 8.284 142 HH22 ARG 22 HH22 ARG 22 -8.735 0.603 7.044 143 H CYS 23 H CYS 23 -3.959 4.272 4.074 144 HA CYS 23 HA CYS 23 -4.292 2.853 1.533 145 HB2 CYS 23 HB2 CYS 23 -2.031 2.943 2.031 146 HB3 CYS 23 HB1 CYS 23 -2.294 2.775 3.763 147 H ARG 24 H ARG 24 -5.942 1.492 1.424 148 HA ARG 24 HA ARG 24 -6.740 -0.003 3.838 149 HB2 ARG 24 HB2 ARG 24 -8.544 1.316 2.872 150 HB3 ARG 24 HB1 ARG 24 -8.269 0.579 1.292 151 HG2 ARG 24 HG2 ARG 24 -8.871 -1.623 2.167 152 HG3 ARG 24 HG1 ARG 24 -9.040 -0.958 3.791 153 HD2 ARG 24 HD2 ARG 24 -11.232 -1.210 2.711 154 HD3 ARG 24 HD1 ARG 24 -10.872 0.491 3.005 155 HE ARG 24 HE ARG 24 -10.018 -0.312 0.399 156 HH11 ARG 24 HH11 ARG 24 -12.843 0.492 2.281 157 HH12 ARG 24 HH12 ARG 24 -13.745 1.040 0.910 158 HH21 ARG 24 HH21 ARG 24 -11.209 0.432 -1.367 159 HH22 ARG 24 HH22 ARG 24 -12.826 1.009 -1.144 160 H GLU 25 H GLU 25 -6.501 -2.143 3.929 161 HA GLU 25 HA GLU 25 -5.909 -3.580 1.410 162 HB2 GLU 25 HB2 GLU 25 -4.759 -4.110 4.164 163 HB3 GLU 25 HB1 GLU 25 -4.436 -5.060 2.714 164 HG2 GLU 25 HG2 GLU 25 -3.493 -3.046 1.622 165 HG3 GLU 25 HG1 GLU 25 -3.782 -2.125 3.094 166 H ILE 26 H ILE 26 -8.298 -3.814 1.458 167 HA ILE 26 HA ILE 26 -9.090 -6.378 2.263 168 HB ILE 26 HB ILE 26 -9.040 -5.429 4.556 169 HG12 ILE 26 HG12 ILE 26 -11.892 -5.826 3.627 170 HG13 ILE 26 HG11 ILE 26 -10.744 -7.157 3.778 171 HG21 ILE 26 HG21 ILE 26 -11.201 -3.576 3.515 172 HG22 ILE 26 HG22 ILE 26 -9.546 -3.080 3.870 173 HG23 ILE 26 HG23 ILE 26 -10.591 -3.655 5.168 174 HD11 ILE 26 HD11 ILE 26 -12.094 -6.940 5.828 175 HD12 ILE 26 HD12 ILE 26 -11.561 -5.268 6.006 176 HD13 ILE 26 HD13 ILE 26 -10.399 -6.585 6.159 177 H ASP 27 H ASP 27 -10.960 -6.947 1.278 178 HA ASP 27 HA ASP 27 -12.642 -6.813 -0.284 179 HB2 ASP 27 HB2 ASP 27 -13.615 -5.838 1.877 180 HB3 ASP 27 HB1 ASP 27 -13.417 -4.261 1.113 181 H CYS 28 H CYS 28 -10.097 -5.303 -0.912 182 HA CYS 28 HA CYS 28 -11.222 -3.843 -3.175 183 HB2 CYS 28 HB2 CYS 28 -10.950 -2.142 -1.365 184 HB3 CYS 28 HB1 CYS 28 -9.223 -2.503 -1.341 185 H ASP 29 H ASP 29 -10.057 -4.146 -4.973 186 HA ASP 29 HA ASP 29 -7.299 -5.175 -4.680 187 HB2 ASP 29 HB2 ASP 29 -9.505 -6.098 -6.521 188 HB3 ASP 29 HB1 ASP 29 -7.807 -6.463 -6.824 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 15.295 -11.473 -6.936 2 H2 GLY 1 HT2 GLY 1 16.276 -10.289 -6.218 3 H3 GLY 1 HT3 GLY 1 16.879 -11.233 -7.495 4 HA2 GLY 1 HA2 GLY 1 16.003 -8.803 -7.894 5 HA3 GLY 1 HA1 GLY 1 15.771 -10.079 -9.091 6 H ALA 2 H ALA 2 13.973 -8.220 -9.373 7 HA ALA 2 HA ALA 2 11.733 -7.715 -9.363 8 HB1 ALA 2 HB1 ALA 2 11.418 -10.581 -8.444 9 HB2 ALA 2 HB2 ALA 2 11.636 -10.094 -10.124 10 HB3 ALA 2 HB3 ALA 2 10.200 -9.584 -9.239 11 H MET 3 H MET 3 13.179 -7.044 -7.022 12 HA MET 3 HA MET 3 11.226 -7.565 -4.868 13 HB2 MET 3 HB2 MET 3 13.560 -8.156 -4.345 14 HB3 MET 3 HB1 MET 3 14.057 -6.504 -4.704 15 HG2 MET 3 HG2 MET 3 12.597 -5.663 -2.906 16 HG3 MET 3 HG1 MET 3 12.086 -7.311 -2.545 17 HE1 MET 3 HE1 MET 3 14.720 -9.051 -0.825 18 HE2 MET 3 HE2 MET 3 14.871 -9.134 -2.579 19 HE3 MET 3 HE3 MET 3 13.273 -9.059 -1.840 20 H GLY 4 H GLY 4 9.905 -5.967 -4.250 21 HA2 GLY 4 HA2 GLY 4 10.619 -3.245 -4.063 22 HA3 GLY 4 HA1 GLY 4 9.738 -3.499 -5.568 23 H ASN 5 H ASN 5 8.422 -1.863 -4.081 24 HA ASN 5 HA ASN 5 6.125 -3.379 -3.149 25 HB2 ASN 5 HB2 ASN 5 6.062 -2.258 -0.945 26 HB3 ASN 5 HB1 ASN 5 7.473 -3.302 -1.116 27 HD21 ASN 5 HD21 ASN 5 8.363 -1.813 0.663 28 HD22 ASN 5 HD22 ASN 5 9.097 -0.360 0.179 29 H VAL 6 H VAL 6 4.439 -1.707 -2.233 30 HA VAL 6 HA VAL 6 4.328 0.487 -4.202 31 HB VAL 6 HB VAL 6 2.117 -0.724 -2.528 32 HG11 VAL 6 HG11 VAL 6 0.941 0.524 -4.644 33 HG12 VAL 6 HG12 VAL 6 2.312 1.593 -4.347 34 HG13 VAL 6 HG13 VAL 6 1.156 1.262 -3.057 35 HG21 VAL 6 HG21 VAL 6 2.101 -2.380 -4.057 36 HG22 VAL 6 HG22 VAL 6 3.391 -1.603 -4.975 37 HG23 VAL 6 HG23 VAL 6 1.708 -1.176 -5.283 38 H ASN 7 H ASN 7 3.916 2.602 -3.566 39 HA ASN 7 HA ASN 7 3.708 3.141 -0.684 40 HB2 ASN 7 HB2 ASN 7 5.742 4.459 -2.502 41 HB3 ASN 7 HB1 ASN 7 5.426 4.895 -0.823 42 HD21 ASN 7 HD21 ASN 7 7.817 3.502 -2.359 43 HD22 ASN 7 HD22 ASN 7 8.183 2.196 -1.338 44 H CYS 8 H CYS 8 2.098 4.559 -0.306 45 HA CYS 8 HA CYS 8 1.157 6.166 -2.593 46 HB2 CYS 8 HB2 CYS 8 -0.437 4.539 -1.427 47 HB3 CYS 8 HB1 CYS 8 -0.379 5.629 -0.045 48 H GLY 9 H GLY 9 0.904 8.376 -2.408 49 HA2 GLY 9 HA2 GLY 9 2.718 9.768 -0.805 50 HA3 GLY 9 HA1 GLY 9 1.368 10.501 -1.663 51 H GLY 10 H GLY 10 -0.742 9.146 -0.298 52 HA2 GLY 10 HA2 GLY 10 -0.969 10.819 2.006 53 HA3 GLY 10 HA1 GLY 10 -2.108 9.566 1.520 54 H VAL 11 H VAL 11 -0.301 7.369 1.515 55 HA VAL 11 HA VAL 11 0.821 7.221 4.211 56 HB VAL 11 HB VAL 11 -0.533 4.903 4.263 57 HG11 VAL 11 HG11 VAL 11 -1.688 7.584 5.098 58 HG12 VAL 11 HG12 VAL 11 -0.522 6.641 6.029 59 HG13 VAL 11 HG13 VAL 11 -2.147 6.010 5.751 60 HG21 VAL 11 HG21 VAL 11 -2.464 6.839 2.961 61 HG22 VAL 11 HG22 VAL 11 -2.748 5.149 3.372 62 HG23 VAL 11 HG23 VAL 11 -1.632 5.563 2.072 63 HA PRO 12 HA PRO 12 3.302 4.254 1.988 64 HB2 PRO 12 HB2 PRO 12 4.569 2.998 4.022 65 HB3 PRO 12 HB1 PRO 12 4.920 4.692 3.622 66 HG2 PRO 12 HG2 PRO 12 3.281 3.572 5.834 67 HG3 PRO 12 HG1 PRO 12 4.338 4.993 5.815 68 HD2 PRO 12 HD2 PRO 12 1.552 5.061 5.566 69 HD3 PRO 12 HD1 PRO 12 2.654 6.374 5.098 70 H CYS 13 H CYS 13 2.405 2.473 1.065 71 HA CYS 13 HA CYS 13 1.258 0.393 2.796 72 HB2 CYS 13 HB2 CYS 13 -0.539 2.003 2.028 73 HB3 CYS 13 HB1 CYS 13 -0.205 1.480 0.377 74 H LYS 14 H LYS 14 2.406 -1.372 2.280 75 HA LYS 14 HA LYS 14 3.906 -1.747 -0.042 76 HB2 LYS 14 HB2 LYS 14 4.270 -3.015 2.030 77 HB3 LYS 14 HB1 LYS 14 2.735 -3.850 1.789 78 HG2 LYS 14 HG2 LYS 14 3.557 -4.785 -0.331 79 HG3 LYS 14 HG1 LYS 14 5.089 -3.934 -0.121 80 HD2 LYS 14 HD2 LYS 14 5.502 -5.181 1.966 81 HD3 LYS 14 HD1 LYS 14 3.965 -6.025 1.766 82 HE2 LYS 14 HE2 LYS 14 4.750 -6.967 -0.368 83 HE3 LYS 14 HE1 LYS 14 6.285 -6.122 -0.184 84 HZ1 LYS 14 HZ1 LYS 14 5.243 -8.045 1.816 85 HZ2 LYS 14 HZ2 LYS 14 6.810 -7.393 1.720 86 HZ3 LYS 14 HZ3 LYS 14 6.274 -8.498 0.546 87 H PHE 15 H PHE 15 0.631 -2.942 0.729 88 HA PHE 15 HA PHE 15 0.051 -3.075 -2.118 89 HB2 PHE 15 HB2 PHE 15 1.028 -5.274 -1.742 90 HB3 PHE 15 HB1 PHE 15 -0.060 -5.549 -0.379 91 HD1 PHE 15 HD1 PHE 15 0.032 -4.930 -4.056 92 HD2 PHE 15 HD2 PHE 15 -2.280 -6.330 -0.716 93 HE1 PHE 15 HE1 PHE 15 -1.714 -5.766 -5.611 94 HE2 PHE 15 HE2 PHE 15 -4.019 -7.168 -2.269 95 HZ PHE 15 HZ PHE 15 -3.738 -6.887 -4.715 96 H GLY 16 H GLY 16 -2.020 -2.562 -2.512 97 HA2 GLY 16 HA2 GLY 16 -4.353 -3.245 -1.437 98 HA3 GLY 16 HA1 GLY 16 -3.784 -2.098 -0.228 99 H CYS 17 H CYS 17 -5.872 -1.059 -0.995 100 HA CYS 17 HA CYS 17 -5.511 0.490 -3.477 101 HB2 CYS 17 HB2 CYS 17 -7.951 0.084 -1.730 102 HB3 CYS 17 HB1 CYS 17 -7.916 1.011 -3.231 103 H CYS 18 H CYS 18 -5.047 2.631 -3.377 104 HA CYS 18 HA CYS 18 -5.054 3.868 -0.698 105 HB2 CYS 18 HB2 CYS 18 -2.882 3.770 -1.882 106 HB3 CYS 18 HB1 CYS 18 -3.572 4.731 -3.192 107 H ARG 19 H ARG 19 -6.791 5.038 -0.309 108 HA ARG 19 HA ARG 19 -7.667 7.022 -2.288 109 HB2 ARG 19 HB2 ARG 19 -9.513 5.110 -0.835 110 HB3 ARG 19 HB1 ARG 19 -10.039 6.495 -1.792 111 HG2 ARG 19 HG2 ARG 19 -9.005 5.550 -3.793 112 HG3 ARG 19 HG1 ARG 19 -8.377 4.193 -2.858 113 HD2 ARG 19 HD2 ARG 19 -10.399 3.471 -3.983 114 HD3 ARG 19 HD1 ARG 19 -10.732 3.588 -2.257 115 HE ARG 19 HE ARG 19 -11.377 6.037 -3.547 116 HH11 ARG 19 HH11 ARG 19 -12.461 2.739 -3.174 117 HH12 ARG 19 HH12 ARG 19 -14.124 3.134 -3.439 118 HH21 ARG 19 HH21 ARG 19 -13.552 6.518 -3.898 119 HH22 ARG 19 HH22 ARG 19 -14.738 5.259 -3.843 120 H GLU 20 H GLU 20 -8.593 8.888 -1.363 121 HA GLU 20 HA GLU 20 -8.695 10.546 0.237 122 HB2 GLU 20 HB2 GLU 20 -9.580 8.214 1.954 123 HB3 GLU 20 HB1 GLU 20 -9.846 9.919 2.311 124 HG2 GLU 20 HG2 GLU 20 -10.866 8.513 -0.172 125 HG3 GLU 20 HG1 GLU 20 -11.834 8.814 1.271 126 H ASP 21 H ASP 21 -6.152 9.376 -0.144 127 HA ASP 21 HA ASP 21 -4.060 9.308 0.783 128 HB2 ASP 21 HB2 ASP 21 -5.474 11.058 2.798 129 HB3 ASP 21 HB1 ASP 21 -3.737 10.757 2.825 130 H ARG 22 H ARG 22 -5.990 7.200 1.465 131 HA ARG 22 HA ARG 22 -4.596 6.177 3.846 132 HB2 ARG 22 HB2 ARG 22 -7.594 6.129 3.420 133 HB3 ARG 22 HB1 ARG 22 -6.746 5.209 4.664 134 HG2 ARG 22 HG2 ARG 22 -5.903 7.262 5.670 135 HG3 ARG 22 HG1 ARG 22 -6.613 8.224 4.372 136 HD2 ARG 22 HD2 ARG 22 -8.077 8.311 6.315 137 HD3 ARG 22 HD1 ARG 22 -8.865 7.393 5.035 138 HE ARG 22 HE ARG 22 -7.408 5.651 6.753 139 HH11 ARG 22 HH11 ARG 22 -10.298 7.600 6.579 140 HH12 ARG 22 HH12 ARG 22 -11.170 6.615 7.700 141 HH21 ARG 22 HH21 ARG 22 -8.559 4.400 8.232 142 HH22 ARG 22 HH22 ARG 22 -10.196 4.806 8.628 143 H CYS 23 H CYS 23 -4.319 3.910 3.860 144 HA CYS 23 HA CYS 23 -4.914 2.643 1.264 145 HB2 CYS 23 HB2 CYS 23 -2.534 2.718 1.749 146 HB3 CYS 23 HB1 CYS 23 -2.797 1.923 3.306 147 H ARG 24 H ARG 24 -6.408 1.149 1.177 148 HA ARG 24 HA ARG 24 -7.112 -0.349 3.632 149 HB2 ARG 24 HB2 ARG 24 -8.874 1.270 2.879 150 HB3 ARG 24 HB1 ARG 24 -8.974 0.383 1.360 151 HG2 ARG 24 HG2 ARG 24 -9.458 -1.692 2.701 152 HG3 ARG 24 HG1 ARG 24 -9.559 -0.667 4.135 153 HD2 ARG 24 HD2 ARG 24 -11.292 0.709 2.907 154 HD3 ARG 24 HD1 ARG 24 -11.296 -0.539 1.659 155 HE ARG 24 HE ARG 24 -11.679 -1.746 4.174 156 HH11 ARG 24 HH11 ARG 24 -13.298 0.341 1.905 157 HH12 ARG 24 HH12 ARG 24 -14.880 -0.170 2.380 158 HH21 ARG 24 HH21 ARG 24 -13.767 -2.397 4.780 159 HH22 ARG 24 HH22 ARG 24 -15.146 -1.703 3.996 160 H GLU 25 H GLU 25 -7.185 -2.541 3.466 161 HA GLU 25 HA GLU 25 -6.898 -3.697 0.759 162 HB2 GLU 25 HB2 GLU 25 -5.586 -5.541 1.927 163 HB3 GLU 25 HB1 GLU 25 -4.767 -3.989 1.771 164 HG2 GLU 25 HG2 GLU 25 -5.462 -3.416 4.090 165 HG3 GLU 25 HG1 GLU 25 -6.206 -5.006 4.242 166 H ILE 26 H ILE 26 -9.264 -3.743 0.939 167 HA ILE 26 HA ILE 26 -10.294 -6.280 1.347 168 HB ILE 26 HB ILE 26 -9.994 -6.013 3.744 169 HG12 ILE 26 HG12 ILE 26 -12.904 -5.465 3.138 170 HG13 ILE 26 HG11 ILE 26 -12.134 -7.014 2.797 171 HG21 ILE 26 HG21 ILE 26 -10.737 -3.289 3.140 172 HG22 ILE 26 HG22 ILE 26 -10.029 -3.941 4.616 173 HG23 ILE 26 HG23 ILE 26 -11.780 -3.933 4.405 174 HD11 ILE 26 HD11 ILE 26 -12.028 -5.727 5.531 175 HD12 ILE 26 HD12 ILE 26 -11.656 -7.399 5.103 176 HD13 ILE 26 HD13 ILE 26 -13.323 -6.826 5.053 177 H ASP 27 H ASP 27 -12.315 -6.414 0.473 178 HA ASP 27 HA ASP 27 -14.144 -5.752 -0.744 179 HB2 ASP 27 HB2 ASP 27 -14.078 -3.590 1.367 180 HB3 ASP 27 HB1 ASP 27 -15.394 -3.778 0.208 181 H CYS 28 H CYS 28 -11.573 -4.907 -1.722 182 HA CYS 28 HA CYS 28 -12.352 -2.406 -3.101 183 HB2 CYS 28 HB2 CYS 28 -10.392 -2.068 -1.645 184 HB3 CYS 28 HB1 CYS 28 -9.557 -3.385 -2.472 185 H ASP 29 H ASP 29 -12.610 -2.571 -5.235 186 HA ASP 29 HA ASP 29 -12.096 -5.084 -6.571 187 HB2 ASP 29 HB2 ASP 29 -14.123 -3.738 -7.045 188 HB3 ASP 29 HB1 ASP 29 -13.101 -2.450 -7.678 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 7.817 -16.280 -1.836 2 H2 GLY 1 HT2 GLY 1 9.111 -16.487 -2.919 3 H3 GLY 1 HT3 GLY 1 7.882 -17.659 -2.823 4 HA2 GLY 1 HA2 GLY 1 7.430 -16.442 -4.768 5 HA3 GLY 1 HA1 GLY 1 6.281 -15.880 -3.551 6 H ALA 2 H ALA 2 6.803 -14.226 -5.641 7 HA ALA 2 HA ALA 2 8.960 -12.433 -5.307 8 HB1 ALA 2 HB1 ALA 2 6.272 -12.188 -6.651 9 HB2 ALA 2 HB2 ALA 2 7.855 -12.395 -7.400 10 HB3 ALA 2 HB3 ALA 2 7.434 -10.862 -6.637 11 H MET 3 H MET 3 9.161 -10.512 -4.211 12 HA MET 3 HA MET 3 6.929 -9.736 -2.435 13 HB2 MET 3 HB2 MET 3 9.865 -9.880 -1.704 14 HB3 MET 3 HB1 MET 3 8.595 -9.209 -0.681 15 HG2 MET 3 HG2 MET 3 7.450 -11.382 -0.640 16 HG3 MET 3 HG1 MET 3 8.678 -12.062 -1.708 17 HE1 MET 3 HE1 MET 3 9.739 -13.958 1.287 18 HE2 MET 3 HE2 MET 3 8.792 -13.871 -0.197 19 HE3 MET 3 HE3 MET 3 8.061 -13.399 1.335 20 H GLY 4 H GLY 4 6.737 -7.524 -2.003 21 HA2 GLY 4 HA2 GLY 4 8.594 -5.537 -2.749 22 HA3 GLY 4 HA1 GLY 4 7.439 -5.751 -4.063 23 H ASN 5 H ASN 5 7.306 -3.338 -3.123 24 HA ASN 5 HA ASN 5 4.760 -3.250 -1.727 25 HB2 ASN 5 HB2 ASN 5 5.568 -1.704 0.015 26 HB3 ASN 5 HB1 ASN 5 6.330 -3.286 0.145 27 HD21 ASN 5 HD21 ASN 5 8.014 -1.883 1.368 28 HD22 ASN 5 HD22 ASN 5 9.233 -1.157 0.435 29 H VAL 6 H VAL 6 4.022 -0.907 -1.490 30 HA VAL 6 HA VAL 6 5.118 0.781 -3.645 31 HB VAL 6 HB VAL 6 2.826 1.353 -4.354 32 HG11 VAL 6 HG11 VAL 6 2.620 -0.483 -5.738 33 HG12 VAL 6 HG12 VAL 6 2.868 -1.634 -4.423 34 HG13 VAL 6 HG13 VAL 6 4.245 -0.777 -5.117 35 HG21 VAL 6 HG21 VAL 6 1.974 -0.877 -2.479 36 HG22 VAL 6 HG22 VAL 6 0.919 0.082 -3.517 37 HG23 VAL 6 HG23 VAL 6 1.741 0.842 -2.155 38 H ASN 7 H ASN 7 4.579 3.062 -3.413 39 HA ASN 7 HA ASN 7 3.936 3.772 -0.613 40 HB2 ASN 7 HB2 ASN 7 5.816 5.250 -2.458 41 HB3 ASN 7 HB1 ASN 7 5.503 5.598 -0.758 42 HD21 ASN 7 HD21 ASN 7 5.786 3.358 0.629 43 HD22 ASN 7 HD22 ASN 7 7.248 2.557 0.310 44 H CYS 8 H CYS 8 1.864 4.436 -0.735 45 HA CYS 8 HA CYS 8 0.897 6.001 -2.961 46 HB2 CYS 8 HB2 CYS 8 -0.548 4.402 -1.614 47 HB3 CYS 8 HB1 CYS 8 -0.471 5.567 -0.295 48 H GLY 9 H GLY 9 0.374 8.229 -2.887 49 HA2 GLY 9 HA2 GLY 9 2.196 9.859 -1.531 50 HA3 GLY 9 HA1 GLY 9 0.700 10.428 -2.267 51 H GLY 10 H GLY 10 -1.129 8.954 -0.701 52 HA2 GLY 10 HA2 GLY 10 -1.305 10.643 1.591 53 HA3 GLY 10 HA1 GLY 10 -2.370 9.297 1.207 54 H VAL 11 H VAL 11 -0.451 7.199 1.156 55 HA VAL 11 HA VAL 11 0.851 7.243 3.780 56 HB VAL 11 HB VAL 11 -0.311 4.918 4.154 57 HG11 VAL 11 HG11 VAL 11 -2.120 6.044 5.414 58 HG12 VAL 11 HG12 VAL 11 -1.772 7.552 4.562 59 HG13 VAL 11 HG13 VAL 11 -0.573 6.858 5.654 60 HG21 VAL 11 HG21 VAL 11 -2.346 4.566 3.100 61 HG22 VAL 11 HG22 VAL 11 -1.442 5.354 1.805 62 HG23 VAL 11 HG23 VAL 11 -2.594 6.281 2.767 63 HA PRO 12 HA PRO 12 3.379 4.160 1.755 64 HB2 PRO 12 HB2 PRO 12 4.587 3.010 3.892 65 HB3 PRO 12 HB1 PRO 12 4.949 4.687 3.433 66 HG2 PRO 12 HG2 PRO 12 3.220 3.656 5.620 67 HG3 PRO 12 HG1 PRO 12 4.289 5.069 5.594 68 HD2 PRO 12 HD2 PRO 12 1.522 5.155 5.238 69 HD3 PRO 12 HD1 PRO 12 2.652 6.430 4.739 70 H CYS 13 H CYS 13 2.478 2.299 0.912 71 HA CYS 13 HA CYS 13 1.119 0.460 2.788 72 HB2 CYS 13 HB2 CYS 13 -0.500 1.983 1.624 73 HB3 CYS 13 HB1 CYS 13 0.017 1.280 0.093 74 H LYS 14 H LYS 14 1.808 -1.585 2.589 75 HA LYS 14 HA LYS 14 3.722 -2.389 0.704 76 HB2 LYS 14 HB2 LYS 14 3.376 -3.539 2.852 77 HB3 LYS 14 HB1 LYS 14 1.804 -4.112 2.289 78 HG2 LYS 14 HG2 LYS 14 2.887 -5.329 0.449 79 HG3 LYS 14 HG1 LYS 14 4.463 -4.734 0.970 80 HD2 LYS 14 HD2 LYS 14 4.164 -5.864 3.150 81 HD3 LYS 14 HD1 LYS 14 2.601 -6.479 2.611 82 HE2 LYS 14 HE2 LYS 14 5.249 -7.053 1.248 83 HE3 LYS 14 HE1 LYS 14 4.416 -8.160 2.337 84 HZ1 LYS 14 HZ1 LYS 14 2.452 -7.869 0.770 85 HZ2 LYS 14 HZ2 LYS 14 3.753 -8.812 0.220 86 HZ3 LYS 14 HZ3 LYS 14 3.565 -7.214 -0.330 87 H PHE 15 H PHE 15 0.213 -2.972 0.803 88 HA PHE 15 HA PHE 15 -0.054 -2.878 -2.014 89 HB2 PHE 15 HB2 PHE 15 1.065 -5.023 -1.999 90 HB3 PHE 15 HB1 PHE 15 -0.051 -5.639 -0.778 91 HD1 PHE 15 HD1 PHE 15 0.131 -4.312 -4.259 92 HD2 PHE 15 HD2 PHE 15 -2.152 -6.550 -1.390 93 HE1 PHE 15 HE1 PHE 15 -1.447 -4.992 -6.046 94 HE2 PHE 15 HE2 PHE 15 -3.730 -7.229 -3.178 95 HZ PHE 15 HZ PHE 15 -3.378 -6.451 -5.505 96 H GLY 16 H GLY 16 -2.126 -2.434 -2.493 97 HA2 GLY 16 HA2 GLY 16 -4.463 -3.491 -1.662 98 HA3 GLY 16 HA1 GLY 16 -4.066 -2.407 -0.332 99 H CYS 17 H CYS 17 -6.113 -1.357 -1.022 100 HA CYS 17 HA CYS 17 -5.854 0.280 -3.452 101 HB2 CYS 17 HB2 CYS 17 -8.211 -0.138 -1.592 102 HB3 CYS 17 HB1 CYS 17 -8.236 0.799 -3.087 103 H CYS 18 H CYS 18 -5.376 2.401 -3.340 104 HA CYS 18 HA CYS 18 -5.238 3.612 -0.653 105 HB2 CYS 18 HB2 CYS 18 -3.119 3.497 -1.932 106 HB3 CYS 18 HB1 CYS 18 -3.858 4.459 -3.211 107 H ARG 19 H ARG 19 -7.007 4.740 -0.206 108 HA ARG 19 HA ARG 19 -7.923 6.762 -2.132 109 HB2 ARG 19 HB2 ARG 19 -9.746 4.829 -0.687 110 HB3 ARG 19 HB1 ARG 19 -10.269 6.194 -1.674 111 HG2 ARG 19 HG2 ARG 19 -9.000 5.190 -3.604 112 HG3 ARG 19 HG1 ARG 19 -8.715 3.764 -2.602 113 HD2 ARG 19 HD2 ARG 19 -10.672 3.313 -3.928 114 HD3 ARG 19 HD1 ARG 19 -11.215 3.611 -2.280 115 HE ARG 19 HE ARG 19 -12.220 5.584 -3.001 116 HH11 ARG 19 HH11 ARG 19 -10.105 4.322 -5.471 117 HH12 ARG 19 HH12 ARG 19 -10.678 5.410 -6.683 118 HH21 ARG 19 HH21 ARG 19 -12.955 6.990 -4.615 119 HH22 ARG 19 HH22 ARG 19 -12.274 6.913 -6.207 120 H GLU 20 H GLU 20 -8.997 8.553 -1.138 121 HA GLU 20 HA GLU 20 -9.156 10.168 0.496 122 HB2 GLU 20 HB2 GLU 20 -9.863 7.672 2.052 123 HB3 GLU 20 HB1 GLU 20 -10.032 9.306 2.701 124 HG2 GLU 20 HG2 GLU 20 -11.581 9.911 0.944 125 HG3 GLU 20 HG1 GLU 20 -11.305 8.383 0.111 126 H ASP 21 H ASP 21 -6.544 9.234 -0.027 127 HA ASP 21 HA ASP 21 -4.412 9.350 0.792 128 HB2 ASP 21 HB2 ASP 21 -5.875 10.916 2.918 129 HB3 ASP 21 HB1 ASP 21 -4.119 10.761 2.870 130 H ARG 22 H ARG 22 -6.220 7.095 1.621 131 HA ARG 22 HA ARG 22 -4.483 6.098 3.771 132 HB2 ARG 22 HB2 ARG 22 -7.509 5.977 3.795 133 HB3 ARG 22 HB1 ARG 22 -6.466 5.055 4.880 134 HG2 ARG 22 HG2 ARG 22 -5.542 7.086 5.820 135 HG3 ARG 22 HG1 ARG 22 -6.387 8.075 4.629 136 HD2 ARG 22 HD2 ARG 22 -7.772 6.293 6.652 137 HD3 ARG 22 HD1 ARG 22 -7.511 8.018 6.875 138 HE ARG 22 HE ARG 22 -8.792 7.667 4.408 139 HH11 ARG 22 HH11 ARG 22 -9.412 7.165 7.805 140 HH12 ARG 22 HH12 ARG 22 -11.117 7.406 7.649 141 HH21 ARG 22 HH21 ARG 22 -11.023 7.987 4.242 142 HH22 ARG 22 HH22 ARG 22 -12.024 7.865 5.651 143 H CYS 23 H CYS 23 -4.101 3.868 3.688 144 HA CYS 23 HA CYS 23 -5.036 2.585 1.199 145 HB2 CYS 23 HB2 CYS 23 -2.607 2.824 1.344 146 HB3 CYS 23 HB1 CYS 23 -2.599 1.968 2.888 147 H ARG 24 H ARG 24 -6.406 0.954 1.325 148 HA ARG 24 HA ARG 24 -6.631 -0.529 3.878 149 HB2 ARG 24 HB2 ARG 24 -8.603 0.925 3.398 150 HB3 ARG 24 HB1 ARG 24 -8.847 0.042 1.891 151 HG2 ARG 24 HG2 ARG 24 -8.971 -2.084 3.268 152 HG3 ARG 24 HG1 ARG 24 -8.986 -1.064 4.707 153 HD2 ARG 24 HD2 ARG 24 -10.986 -0.904 2.440 154 HD3 ARG 24 HD1 ARG 24 -11.276 -1.690 3.984 155 HE ARG 24 HE ARG 24 -11.207 1.169 3.472 156 HH11 ARG 24 HH11 ARG 24 -11.039 -1.382 5.849 157 HH12 ARG 24 HH12 ARG 24 -11.533 -0.359 7.151 158 HH21 ARG 24 HH21 ARG 24 -11.850 2.478 5.194 159 HH22 ARG 24 HH22 ARG 24 -11.987 1.813 6.786 160 H GLU 25 H GLU 25 -6.365 -2.685 3.741 161 HA GLU 25 HA GLU 25 -6.348 -3.891 1.037 162 HB2 GLU 25 HB2 GLU 25 -4.160 -3.938 2.218 163 HB3 GLU 25 HB1 GLU 25 -4.914 -4.846 3.529 164 HG2 GLU 25 HG2 GLU 25 -5.509 -6.645 1.962 165 HG3 GLU 25 HG1 GLU 25 -4.791 -5.736 0.631 166 H ILE 26 H ILE 26 -8.689 -3.987 1.355 167 HA ILE 26 HA ILE 26 -9.691 -6.506 1.822 168 HB ILE 26 HB ILE 26 -9.182 -6.293 4.200 169 HG12 ILE 26 HG12 ILE 26 -12.136 -5.749 3.862 170 HG13 ILE 26 HG11 ILE 26 -11.394 -7.289 3.416 171 HG21 ILE 26 HG21 ILE 26 -10.276 -4.451 5.507 172 HG22 ILE 26 HG22 ILE 26 -10.744 -3.710 3.974 173 HG23 ILE 26 HG23 ILE 26 -9.037 -3.880 4.387 174 HD11 ILE 26 HD11 ILE 26 -10.722 -7.730 5.656 175 HD12 ILE 26 HD12 ILE 26 -12.378 -7.143 5.780 176 HD13 ILE 26 HD13 ILE 26 -11.033 -6.069 6.159 177 H ASP 27 H ASP 27 -11.916 -6.602 1.371 178 HA ASP 27 HA ASP 27 -13.863 -5.881 0.383 179 HB2 ASP 27 HB2 ASP 27 -14.046 -4.899 2.715 180 HB3 ASP 27 HB1 ASP 27 -13.476 -3.378 2.029 181 H CYS 28 H CYS 28 -11.557 -5.389 -1.155 182 HA CYS 28 HA CYS 28 -12.500 -3.082 -2.696 183 HB2 CYS 28 HB2 CYS 28 -10.696 -2.208 -1.250 184 HB3 CYS 28 HB1 CYS 28 -9.598 -3.426 -1.899 185 H ASP 29 H ASP 29 -12.555 -3.514 -4.809 186 HA ASP 29 HA ASP 29 -10.934 -5.778 -5.812 187 HB2 ASP 29 HB2 ASP 29 -13.814 -5.071 -6.381 188 HB3 ASP 29 HB1 ASP 29 -12.877 -6.136 -7.429 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 8.949 -15.873 -2.899 2 H2 GLY 1 HT2 GLY 1 8.017 -17.121 -3.578 3 H3 GLY 1 HT3 GLY 1 7.395 -16.192 -2.299 4 HA2 GLY 1 HA2 GLY 1 7.210 -15.722 -5.066 5 HA3 GLY 1 HA1 GLY 1 6.490 -14.803 -3.744 6 H ALA 2 H ALA 2 7.165 -12.769 -3.496 7 HA ALA 2 HA ALA 2 9.921 -12.035 -4.127 8 HB1 ALA 2 HB1 ALA 2 7.805 -10.291 -5.311 9 HB2 ALA 2 HB2 ALA 2 8.248 -11.766 -6.169 10 HB3 ALA 2 HB3 ALA 2 9.472 -10.544 -5.828 11 H MET 3 H MET 3 10.533 -9.986 -3.248 12 HA MET 3 HA MET 3 8.725 -9.070 -1.095 13 HB2 MET 3 HB2 MET 3 10.788 -10.085 -0.250 14 HB3 MET 3 HB1 MET 3 11.748 -8.980 -1.232 15 HG2 MET 3 HG2 MET 3 10.838 -7.061 -0.016 16 HG3 MET 3 HG1 MET 3 9.798 -8.126 0.927 17 HE1 MET 3 HE1 MET 3 13.822 -8.618 -0.030 18 HE2 MET 3 HE2 MET 3 14.239 -7.359 1.132 19 HE3 MET 3 HE3 MET 3 13.085 -7.014 -0.153 20 H GLY 4 H GLY 4 8.026 -7.030 -1.155 21 HA2 GLY 4 HA2 GLY 4 9.528 -4.814 -2.063 22 HA3 GLY 4 HA1 GLY 4 8.430 -5.328 -3.339 23 H ASN 5 H ASN 5 7.876 -2.911 -2.603 24 HA ASN 5 HA ASN 5 5.343 -3.137 -1.217 25 HB2 ASN 5 HB2 ASN 5 5.861 -1.372 0.431 26 HB3 ASN 5 HB1 ASN 5 6.847 -2.813 0.675 27 HD21 ASN 5 HD21 ASN 5 8.334 -1.183 1.817 28 HD22 ASN 5 HD22 ASN 5 9.430 -0.310 0.859 29 H VAL 6 H VAL 6 4.323 -0.845 -1.057 30 HA VAL 6 HA VAL 6 5.067 0.734 -3.442 31 HB VAL 6 HB VAL 6 2.259 0.064 -2.542 32 HG11 VAL 6 HG11 VAL 6 3.397 2.077 -4.311 33 HG12 VAL 6 HG12 VAL 6 1.746 1.922 -3.704 34 HG13 VAL 6 HG13 VAL 6 2.242 1.041 -5.150 35 HG21 VAL 6 HG21 VAL 6 2.635 -1.872 -3.666 36 HG22 VAL 6 HG22 VAL 6 4.151 -1.271 -4.339 37 HG23 VAL 6 HG23 VAL 6 2.622 -0.878 -5.125 38 H ASN 7 H ASN 7 4.948 2.955 -3.169 39 HA ASN 7 HA ASN 7 4.224 3.832 -0.436 40 HB2 ASN 7 HB2 ASN 7 6.090 5.159 -2.400 41 HB3 ASN 7 HB1 ASN 7 5.734 5.695 -0.758 42 HD21 ASN 7 HD21 ASN 7 8.218 4.364 -2.290 43 HD22 ASN 7 HD22 ASN 7 8.763 3.245 -1.135 44 H CYS 8 H CYS 8 2.171 4.530 -0.514 45 HA CYS 8 HA CYS 8 1.209 6.037 -2.811 46 HB2 CYS 8 HB2 CYS 8 -0.224 4.352 -1.535 47 HB3 CYS 8 HB1 CYS 8 -0.274 5.524 -0.221 48 H GLY 9 H GLY 9 0.545 8.237 -2.680 49 HA2 GLY 9 HA2 GLY 9 2.294 9.919 -1.290 50 HA3 GLY 9 HA1 GLY 9 0.782 10.436 -2.029 51 H GLY 10 H GLY 10 -1.023 8.920 -0.476 52 HA2 GLY 10 HA2 GLY 10 -1.225 10.593 1.829 53 HA3 GLY 10 HA1 GLY 10 -2.267 9.231 1.441 54 H VAL 11 H VAL 11 -0.331 7.176 1.360 55 HA VAL 11 HA VAL 11 1.012 7.199 3.960 56 HB VAL 11 HB VAL 11 -0.139 4.855 4.307 57 HG11 VAL 11 HG11 VAL 11 -1.905 5.962 5.646 58 HG12 VAL 11 HG12 VAL 11 -1.563 7.488 4.829 59 HG13 VAL 11 HG13 VAL 11 -0.343 6.751 5.867 60 HG21 VAL 11 HG21 VAL 11 -2.239 4.574 3.330 61 HG22 VAL 11 HG22 VAL 11 -1.327 5.313 2.014 62 HG23 VAL 11 HG23 VAL 11 -2.424 6.295 2.986 63 HA PRO 12 HA PRO 12 3.505 4.179 1.810 64 HB2 PRO 12 HB2 PRO 12 4.786 2.998 3.883 65 HB3 PRO 12 HB1 PRO 12 5.122 4.686 3.448 66 HG2 PRO 12 HG2 PRO 12 3.472 3.599 5.669 67 HG3 PRO 12 HG1 PRO 12 4.524 5.024 5.633 68 HD2 PRO 12 HD2 PRO 12 1.746 5.080 5.364 69 HD3 PRO 12 HD1 PRO 12 2.843 6.381 4.859 70 H CYS 13 H CYS 13 2.604 2.343 0.951 71 HA CYS 13 HA CYS 13 1.387 0.397 2.816 72 HB2 CYS 13 HB2 CYS 13 -0.346 1.945 1.834 73 HB3 CYS 13 HB1 CYS 13 0.054 1.284 0.249 74 H LYS 14 H LYS 14 2.198 -1.586 2.488 75 HA LYS 14 HA LYS 14 3.948 -2.241 0.406 76 HB2 LYS 14 HB2 LYS 14 3.835 -3.486 2.525 77 HB3 LYS 14 HB1 LYS 14 2.252 -4.115 2.072 78 HG2 LYS 14 HG2 LYS 14 3.231 -5.196 0.092 79 HG3 LYS 14 HG1 LYS 14 4.818 -4.552 0.518 80 HD2 LYS 14 HD2 LYS 14 4.756 -5.794 2.647 81 HD3 LYS 14 HD1 LYS 14 3.171 -6.443 2.227 82 HE2 LYS 14 HE2 LYS 14 4.139 -7.530 0.235 83 HE3 LYS 14 HE1 LYS 14 5.725 -6.878 0.647 84 HZ1 LYS 14 HZ1 LYS 14 5.755 -8.997 1.542 85 HZ2 LYS 14 HZ2 LYS 14 4.143 -8.920 2.072 86 HZ3 LYS 14 HZ3 LYS 14 5.348 -8.036 2.879 87 H PHE 15 H PHE 15 0.479 -3.006 0.762 88 HA PHE 15 HA PHE 15 0.057 -2.844 -2.056 89 HB2 PHE 15 HB2 PHE 15 1.155 -5.023 -2.052 90 HB3 PHE 15 HB1 PHE 15 0.029 -5.611 -0.824 91 HD1 PHE 15 HD1 PHE 15 0.256 -4.304 -4.304 92 HD2 PHE 15 HD2 PHE 15 -2.138 -6.403 -1.421 93 HE1 PHE 15 HE1 PHE 15 -1.361 -4.902 -6.084 94 HE2 PHE 15 HE2 PHE 15 -3.756 -7.005 -3.202 95 HZ PHE 15 HZ PHE 15 -3.368 -6.254 -5.533 96 H GLY 16 H GLY 16 -1.997 -2.246 -2.357 97 HA2 GLY 16 HA2 GLY 16 -4.300 -3.350 -1.366 98 HA3 GLY 16 HA1 GLY 16 -3.823 -2.183 -0.134 99 H CYS 17 H CYS 17 -5.978 -1.289 -0.823 100 HA CYS 17 HA CYS 17 -5.907 0.247 -3.321 101 HB2 CYS 17 HB2 CYS 17 -7.941 -1.029 -2.804 102 HB3 CYS 17 HB1 CYS 17 -8.099 -0.173 -1.273 103 H CYS 18 H CYS 18 -5.069 2.262 -3.230 104 HA CYS 18 HA CYS 18 -5.042 3.635 -0.632 105 HB2 CYS 18 HB2 CYS 18 -2.913 3.415 -1.904 106 HB3 CYS 18 HB1 CYS 18 -3.621 4.380 -3.198 107 H ARG 19 H ARG 19 -6.823 4.761 -0.267 108 HA ARG 19 HA ARG 19 -7.659 6.754 -2.257 109 HB2 ARG 19 HB2 ARG 19 -9.515 4.812 -0.859 110 HB3 ARG 19 HB1 ARG 19 -10.046 6.222 -1.775 111 HG2 ARG 19 HG2 ARG 19 -9.034 5.348 -3.805 112 HG3 ARG 19 HG1 ARG 19 -8.343 3.989 -2.918 113 HD2 ARG 19 HD2 ARG 19 -10.371 3.252 -4.053 114 HD3 ARG 19 HD1 ARG 19 -10.649 3.259 -2.313 115 HE ARG 19 HE ARG 19 -11.421 5.749 -3.470 116 HH11 ARG 19 HH11 ARG 19 -12.389 2.415 -3.141 117 HH12 ARG 19 HH12 ARG 19 -14.074 2.766 -3.294 118 HH21 ARG 19 HH21 ARG 19 -13.630 6.177 -3.670 119 HH22 ARG 19 HH22 ARG 19 -14.775 4.880 -3.597 120 H GLU 20 H GLU 20 -8.741 8.574 -1.328 121 HA GLU 20 HA GLU 20 -8.923 10.219 0.271 122 HB2 GLU 20 HB2 GLU 20 -9.692 7.767 1.868 123 HB3 GLU 20 HB1 GLU 20 -9.865 9.416 2.469 124 HG2 GLU 20 HG2 GLU 20 -11.368 9.988 0.661 125 HG3 GLU 20 HG1 GLU 20 -11.083 8.437 -0.125 126 H ASP 21 H ASP 21 -6.312 9.221 -0.169 127 HA ASP 21 HA ASP 21 -4.201 9.325 0.697 128 HB2 ASP 21 HB2 ASP 21 -5.683 10.957 2.759 129 HB3 ASP 21 HB1 ASP 21 -3.930 10.778 2.745 130 H ARG 22 H ARG 22 -6.029 7.098 1.519 131 HA ARG 22 HA ARG 22 -4.375 6.156 3.753 132 HB2 ARG 22 HB2 ARG 22 -7.398 6.071 3.683 133 HB3 ARG 22 HB1 ARG 22 -6.410 5.143 4.815 134 HG2 ARG 22 HG2 ARG 22 -5.468 7.175 5.747 135 HG3 ARG 22 HG1 ARG 22 -6.274 8.159 4.526 136 HD2 ARG 22 HD2 ARG 22 -7.732 6.418 6.528 137 HD3 ARG 22 HD1 ARG 22 -7.447 8.141 6.748 138 HE ARG 22 HE ARG 22 -8.672 7.792 4.250 139 HH11 ARG 22 HH11 ARG 22 -9.374 7.346 7.637 140 HH12 ARG 22 HH12 ARG 22 -11.070 7.621 7.443 141 HH21 ARG 22 HH21 ARG 22 -10.892 8.154 4.026 142 HH22 ARG 22 HH22 ARG 22 -11.926 8.074 5.411 143 H CYS 23 H CYS 23 -4.010 3.918 3.768 144 HA CYS 23 HA CYS 23 -4.778 2.580 1.261 145 HB2 CYS 23 HB2 CYS 23 -2.365 2.691 1.694 146 HB3 CYS 23 HB1 CYS 23 -2.593 1.870 3.242 147 H ARG 24 H ARG 24 -6.342 1.145 1.309 148 HA ARG 24 HA ARG 24 -6.815 -0.430 3.763 149 HB2 ARG 24 HB2 ARG 24 -8.492 1.428 3.460 150 HB3 ARG 24 HB1 ARG 24 -8.977 0.664 1.948 151 HG2 ARG 24 HG2 ARG 24 -9.468 -1.425 3.223 152 HG3 ARG 24 HG1 ARG 24 -9.111 -0.551 4.716 153 HD2 ARG 24 HD2 ARG 24 -10.860 1.148 4.019 154 HD3 ARG 24 HD1 ARG 24 -11.303 0.044 2.714 155 HE ARG 24 HE ARG 24 -11.311 -1.377 5.136 156 HH11 ARG 24 HH11 ARG 24 -13.048 1.170 3.516 157 HH12 ARG 24 HH12 ARG 24 -14.544 0.816 4.308 158 HH21 ARG 24 HH21 ARG 24 -13.286 -1.831 6.151 159 HH22 ARG 24 HH22 ARG 24 -14.681 -0.872 5.790 160 H GLU 25 H GLU 25 -7.224 -2.594 3.417 161 HA GLU 25 HA GLU 25 -7.272 -3.462 0.585 162 HB2 GLU 25 HB2 GLU 25 -5.265 -4.180 1.866 163 HB3 GLU 25 HB1 GLU 25 -6.323 -5.016 3.004 164 HG2 GLU 25 HG2 GLU 25 -7.182 -6.439 1.205 165 HG3 GLU 25 HG1 GLU 25 -6.198 -5.574 0.026 166 H ILE 26 H ILE 26 -9.599 -3.019 0.749 167 HA ILE 26 HA ILE 26 -11.169 -5.287 0.852 168 HB ILE 26 HB ILE 26 -10.881 -5.467 3.235 169 HG12 ILE 26 HG12 ILE 26 -13.524 -4.054 2.858 170 HG13 ILE 26 HG11 ILE 26 -13.219 -5.672 2.226 171 HG21 ILE 26 HG21 ILE 26 -10.114 -3.439 4.045 172 HG22 ILE 26 HG22 ILE 26 -11.797 -3.362 4.564 173 HG23 ILE 26 HG23 ILE 26 -11.284 -2.508 3.109 174 HD11 ILE 26 HD11 ILE 26 -13.229 -6.633 4.302 175 HD12 ILE 26 HD12 ILE 26 -14.199 -5.219 4.713 176 HD13 ILE 26 HD13 ILE 26 -12.471 -5.235 5.064 177 H ASP 27 H ASP 27 -13.280 -4.870 0.216 178 HA ASP 27 HA ASP 27 -14.986 -3.709 -0.769 179 HB2 ASP 27 HB2 ASP 27 -14.120 -1.684 1.297 180 HB3 ASP 27 HB1 ASP 27 -15.534 -1.473 0.268 181 H CYS 28 H CYS 28 -12.046 -3.299 -1.644 182 HA CYS 28 HA CYS 28 -12.702 -1.198 -3.583 183 HB2 CYS 28 HB2 CYS 28 -11.433 -0.056 -1.784 184 HB3 CYS 28 HB1 CYS 28 -10.110 -1.199 -2.020 185 H ASP 29 H ASP 29 -12.111 -1.754 -5.583 186 HA ASP 29 HA ASP 29 -10.142 -3.939 -5.895 187 HB2 ASP 29 HB2 ASP 29 -12.741 -3.448 -7.352 188 HB3 ASP 29 HB1 ASP 29 -11.487 -4.519 -7.977 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 8.527 -6.789 0.168 2 H2 GLY 1 HT2 GLY 1 9.380 -8.143 -0.403 3 H3 GLY 1 HT3 GLY 1 8.871 -6.936 -1.490 4 HA2 GLY 1 HA2 GLY 1 10.370 -5.594 0.387 5 HA3 GLY 1 HA1 GLY 1 11.260 -7.083 0.051 6 H ALA 2 H ALA 2 11.729 -7.610 -2.162 7 HA ALA 2 HA ALA 2 12.766 -5.463 -3.666 8 HB1 ALA 2 HB1 ALA 2 12.097 -8.281 -4.566 9 HB2 ALA 2 HB2 ALA 2 13.620 -7.768 -3.843 10 HB3 ALA 2 HB3 ALA 2 13.143 -7.151 -5.424 11 H MET 3 H MET 3 9.757 -7.279 -3.863 12 HA MET 3 HA MET 3 8.629 -5.155 -5.535 13 HB2 MET 3 HB2 MET 3 7.652 -6.761 -7.100 14 HB3 MET 3 HB1 MET 3 9.408 -6.921 -7.090 15 HG2 MET 3 HG2 MET 3 9.217 -8.810 -5.499 16 HG3 MET 3 HG1 MET 3 7.458 -8.675 -5.566 17 HE1 MET 3 HE1 MET 3 8.840 -11.858 -7.196 18 HE2 MET 3 HE2 MET 3 7.139 -11.494 -6.919 19 HE3 MET 3 HE3 MET 3 8.339 -11.022 -5.720 20 H GLY 4 H GLY 4 6.189 -5.531 -5.764 21 HA2 GLY 4 HA2 GLY 4 4.119 -6.111 -4.856 22 HA3 GLY 4 HA1 GLY 4 4.951 -7.053 -3.626 23 H ASN 5 H ASN 5 6.451 -4.097 -3.710 24 HA ASN 5 HA ASN 5 4.780 -3.097 -1.489 25 HB2 ASN 5 HB2 ASN 5 7.716 -2.746 -2.100 26 HB3 ASN 5 HB1 ASN 5 6.871 -1.874 -0.822 27 HD21 ASN 5 HD21 ASN 5 9.034 -3.720 -0.288 28 HD22 ASN 5 HD22 ASN 5 8.386 -5.029 0.575 29 H VAL 6 H VAL 6 3.797 -1.132 -1.711 30 HA VAL 6 HA VAL 6 4.771 0.606 -3.912 31 HB VAL 6 HB VAL 6 2.436 1.265 -4.356 32 HG11 VAL 6 HG11 VAL 6 1.739 -0.915 -5.373 33 HG12 VAL 6 HG12 VAL 6 3.034 -1.705 -4.475 34 HG13 VAL 6 HG13 VAL 6 3.421 -0.501 -5.702 35 HG21 VAL 6 HG21 VAL 6 0.600 -0.029 -3.358 36 HG22 VAL 6 HG22 VAL 6 1.545 0.756 -2.093 37 HG23 VAL 6 HG23 VAL 6 1.756 -0.968 -2.412 38 H ASN 7 H ASN 7 4.315 2.895 -3.658 39 HA ASN 7 HA ASN 7 3.968 3.664 -0.818 40 HB2 ASN 7 HB2 ASN 7 5.795 5.025 -2.801 41 HB3 ASN 7 HB1 ASN 7 5.650 5.364 -1.077 42 HD21 ASN 7 HD21 ASN 7 5.953 3.112 0.271 43 HD22 ASN 7 HD22 ASN 7 7.319 2.221 -0.200 44 H CYS 8 H CYS 8 1.905 4.445 -0.852 45 HA CYS 8 HA CYS 8 0.959 6.105 -3.024 46 HB2 CYS 8 HB2 CYS 8 -0.534 4.589 -1.620 47 HB3 CYS 8 HB1 CYS 8 -0.341 5.754 -0.313 48 H GLY 9 H GLY 9 0.653 8.351 -2.957 49 HA2 GLY 9 HA2 GLY 9 2.595 9.840 -1.591 50 HA3 GLY 9 HA1 GLY 9 1.156 10.522 -2.346 51 H GLY 10 H GLY 10 -0.791 9.170 -0.799 52 HA2 GLY 10 HA2 GLY 10 -0.888 10.884 1.479 53 HA3 GLY 10 HA1 GLY 10 -2.031 9.603 1.096 54 H VAL 11 H VAL 11 -0.200 7.416 1.042 55 HA VAL 11 HA VAL 11 1.068 7.370 3.681 56 HB VAL 11 HB VAL 11 -0.202 5.069 3.966 57 HG11 VAL 11 HG11 VAL 11 -0.340 6.896 5.582 58 HG12 VAL 11 HG12 VAL 11 -1.958 6.263 5.271 59 HG13 VAL 11 HG13 VAL 11 -1.446 7.780 4.529 60 HG21 VAL 11 HG21 VAL 11 -2.339 4.967 2.983 61 HG22 VAL 11 HG22 VAL 11 -1.311 5.556 1.675 62 HG23 VAL 11 HG23 VAL 11 -2.334 6.681 2.568 63 HA PRO 12 HA PRO 12 3.466 4.208 1.618 64 HB2 PRO 12 HB2 PRO 12 4.679 3.040 3.736 65 HB3 PRO 12 HB1 PRO 12 5.080 4.700 3.252 66 HG2 PRO 12 HG2 PRO 12 3.410 3.740 5.507 67 HG3 PRO 12 HG1 PRO 12 4.474 5.151 5.405 68 HD2 PRO 12 HD2 PRO 12 1.677 5.190 5.121 69 HD3 PRO 12 HD1 PRO 12 2.784 6.495 4.641 70 H CYS 13 H CYS 13 2.513 2.349 0.800 71 HA CYS 13 HA CYS 13 1.078 0.617 2.722 72 HB2 CYS 13 HB2 CYS 13 -0.419 2.173 1.382 73 HB3 CYS 13 HB1 CYS 13 0.070 1.271 -0.050 74 H LYS 14 H LYS 14 1.743 -1.439 2.644 75 HA LYS 14 HA LYS 14 3.710 -2.354 0.877 76 HB2 LYS 14 HB2 LYS 14 3.177 -3.453 3.024 77 HB3 LYS 14 HB1 LYS 14 1.619 -3.962 2.372 78 HG2 LYS 14 HG2 LYS 14 2.773 -5.245 0.607 79 HG3 LYS 14 HG1 LYS 14 4.327 -4.741 1.259 80 HD2 LYS 14 HD2 LYS 14 3.807 -5.861 3.397 81 HD3 LYS 14 HD1 LYS 14 2.245 -6.361 2.750 82 HE2 LYS 14 HE2 LYS 14 3.365 -7.653 0.986 83 HE3 LYS 14 HE1 LYS 14 4.938 -7.136 1.591 84 HZ1 LYS 14 HZ1 LYS 14 2.953 -8.889 2.913 85 HZ2 LYS 14 HZ2 LYS 14 4.215 -8.150 3.777 86 HZ3 LYS 14 HZ3 LYS 14 4.566 -9.236 2.519 87 H PHE 15 H PHE 15 0.195 -2.947 0.864 88 HA PHE 15 HA PHE 15 0.029 -2.831 -1.982 89 HB2 PHE 15 HB2 PHE 15 1.063 -5.039 -1.851 90 HB3 PHE 15 HB1 PHE 15 -0.156 -5.565 -0.689 91 HD1 PHE 15 HD1 PHE 15 0.334 -4.374 -4.180 92 HD2 PHE 15 HD2 PHE 15 -2.289 -6.342 -1.405 93 HE1 PHE 15 HE1 PHE 15 -1.161 -5.014 -6.051 94 HE2 PHE 15 HE2 PHE 15 -3.783 -6.985 -3.276 95 HZ PHE 15 HZ PHE 15 -3.222 -6.320 -5.598 96 H GLY 16 H GLY 16 -2.010 -2.271 -2.505 97 HA2 GLY 16 HA2 GLY 16 -4.398 -3.264 -1.750 98 HA3 GLY 16 HA1 GLY 16 -4.010 -2.198 -0.405 99 H CYS 17 H CYS 17 -6.027 -1.120 -1.159 100 HA CYS 17 HA CYS 17 -5.655 0.547 -3.555 101 HB2 CYS 17 HB2 CYS 17 -8.098 0.088 -1.823 102 HB3 CYS 17 HB1 CYS 17 -8.055 1.069 -3.288 103 H CYS 18 H CYS 18 -5.144 2.650 -3.382 104 HA CYS 18 HA CYS 18 -5.118 3.825 -0.677 105 HB2 CYS 18 HB2 CYS 18 -2.964 3.752 -1.854 106 HB3 CYS 18 HB1 CYS 18 -3.662 4.657 -3.194 107 H ARG 19 H ARG 19 -6.885 4.980 -0.249 108 HA ARG 19 HA ARG 19 -7.678 7.072 -2.137 109 HB2 ARG 19 HB2 ARG 19 -9.613 5.096 -0.899 110 HB3 ARG 19 HB1 ARG 19 -10.079 6.543 -1.793 111 HG2 ARG 19 HG2 ARG 19 -8.932 5.704 -3.795 112 HG3 ARG 19 HG1 ARG 19 -8.390 4.282 -2.904 113 HD2 ARG 19 HD2 ARG 19 -10.343 3.667 -4.188 114 HD3 ARG 19 HD1 ARG 19 -10.784 3.696 -2.486 115 HE ARG 19 HE ARG 19 -11.307 6.221 -3.708 116 HH11 ARG 19 HH11 ARG 19 -12.454 2.936 -3.489 117 HH12 ARG 19 HH12 ARG 19 -14.097 3.357 -3.823 118 HH21 ARG 19 HH21 ARG 19 -13.480 6.749 -4.117 119 HH22 ARG 19 HH22 ARG 19 -14.680 5.500 -4.161 120 H GLU 20 H GLU 20 -8.758 8.848 -1.140 121 HA GLU 20 HA GLU 20 -8.950 10.422 0.528 122 HB2 GLU 20 HB2 GLU 20 -9.853 7.979 2.069 123 HB3 GLU 20 HB1 GLU 20 -10.180 9.657 2.510 124 HG2 GLU 20 HG2 GLU 20 -11.043 8.359 -0.091 125 HG3 GLU 20 HG1 GLU 20 -12.089 8.596 1.307 126 H ASP 21 H ASP 21 -6.314 9.504 0.268 127 HA ASP 21 HA ASP 21 -4.297 9.501 1.377 128 HB2 ASP 21 HB2 ASP 21 -5.363 11.651 2.209 129 HB3 ASP 21 HB1 ASP 21 -5.820 10.762 3.659 130 H ARG 22 H ARG 22 -6.163 7.219 1.744 131 HA ARG 22 HA ARG 22 -4.838 6.045 4.090 132 HB2 ARG 22 HB2 ARG 22 -7.817 5.946 3.549 133 HB3 ARG 22 HB1 ARG 22 -6.987 4.968 4.761 134 HG2 ARG 22 HG2 ARG 22 -6.280 6.948 5.961 135 HG3 ARG 22 HG1 ARG 22 -6.905 7.996 4.686 136 HD2 ARG 22 HD2 ARG 22 -8.601 6.103 6.331 137 HD3 ARG 22 HD1 ARG 22 -8.433 7.825 6.654 138 HE ARG 22 HE ARG 22 -9.210 7.578 3.988 139 HH11 ARG 22 HH11 ARG 22 -10.444 6.794 7.153 140 HH12 ARG 22 HH12 ARG 22 -12.098 6.960 6.678 141 HH21 ARG 22 HH21 ARG 22 -11.373 7.796 3.397 142 HH22 ARG 22 HH22 ARG 22 -12.625 7.520 4.564 143 H CYS 23 H CYS 23 -4.474 3.796 3.892 144 HA CYS 23 HA CYS 23 -5.187 2.675 1.249 145 HB2 CYS 23 HB2 CYS 23 -2.779 3.123 1.368 146 HB3 CYS 23 HB1 CYS 23 -2.663 2.155 2.841 147 H ARG 24 H ARG 24 -6.419 0.937 1.307 148 HA ARG 24 HA ARG 24 -6.439 -0.707 3.771 149 HB2 ARG 24 HB2 ARG 24 -8.543 0.587 3.437 150 HB3 ARG 24 HB1 ARG 24 -8.754 -0.207 1.875 151 HG2 ARG 24 HG2 ARG 24 -8.661 -2.423 3.095 152 HG3 ARG 24 HG1 ARG 24 -8.709 -1.517 4.606 153 HD2 ARG 24 HD2 ARG 24 -10.801 -1.407 2.416 154 HD3 ARG 24 HD1 ARG 24 -10.968 -2.267 3.939 155 HE ARG 24 HE ARG 24 -11.181 0.595 3.528 156 HH11 ARG 24 HH11 ARG 24 -10.661 -1.992 5.808 157 HH12 ARG 24 HH12 ARG 24 -11.191 -1.060 7.166 158 HH21 ARG 24 HH21 ARG 24 -11.856 1.790 5.323 159 HH22 ARG 24 HH22 ARG 24 -11.856 1.065 6.898 160 H GLU 25 H GLU 25 -6.013 -2.844 3.500 161 HA GLU 25 HA GLU 25 -5.903 -3.833 0.714 162 HB2 GLU 25 HB2 GLU 25 -3.738 -3.835 1.928 163 HB3 GLU 25 HB1 GLU 25 -4.447 -4.886 3.155 164 HG2 GLU 25 HG2 GLU 25 -4.883 -6.606 1.456 165 HG3 GLU 25 HG1 GLU 25 -4.240 -5.546 0.201 166 H ILE 26 H ILE 26 -8.250 -4.103 0.970 167 HA ILE 26 HA ILE 26 -9.064 -6.723 1.224 168 HB ILE 26 HB ILE 26 -8.612 -6.674 3.603 169 HG12 ILE 26 HG12 ILE 26 -11.590 -6.253 3.281 170 HG13 ILE 26 HG11 ILE 26 -10.764 -7.713 2.733 171 HG21 ILE 26 HG21 ILE 26 -8.533 -4.458 4.289 172 HG22 ILE 26 HG22 ILE 26 -10.116 -4.926 4.914 173 HG23 ILE 26 HG23 ILE 26 -9.995 -4.027 3.402 174 HD11 ILE 26 HD11 ILE 26 -11.542 -6.953 5.427 175 HD12 ILE 26 HD12 ILE 26 -9.815 -7.295 5.336 176 HD13 ILE 26 HD13 ILE 26 -10.982 -8.514 4.829 177 H ASP 27 H ASP 27 -11.260 -6.976 0.727 178 HA ASP 27 HA ASP 27 -13.261 -6.377 -0.229 179 HB2 ASP 27 HB2 ASP 27 -12.930 -4.151 1.793 180 HB3 ASP 27 HB1 ASP 27 -14.407 -4.421 0.866 181 H CYS 28 H CYS 28 -10.851 -5.502 -1.571 182 HA CYS 28 HA CYS 28 -12.040 -3.353 -3.167 183 HB2 CYS 28 HB2 CYS 28 -10.564 -2.220 -1.531 184 HB3 CYS 28 HB1 CYS 28 -9.208 -3.189 -2.109 185 H ASP 29 H ASP 29 -11.844 -3.753 -5.258 186 HA ASP 29 HA ASP 29 -10.897 -6.075 -6.371 187 HB2 ASP 29 HB2 ASP 29 -11.196 -3.312 -7.549 188 HB3 ASP 29 HB1 ASP 29 -10.747 -4.709 -8.527 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 8.552 -9.798 -5.830 2 H2 GLY 1 HT2 GLY 1 8.304 -9.150 -7.380 3 H3 GLY 1 HT3 GLY 1 7.742 -10.709 -7.009 4 HA2 GLY 1 HA2 GLY 1 6.380 -8.290 -6.768 5 HA3 GLY 1 HA1 GLY 1 5.813 -9.901 -6.327 6 H ALA 2 H ALA 2 7.333 -10.644 -4.254 7 HA ALA 2 HA ALA 2 6.271 -9.218 -2.065 8 HB1 ALA 2 HB1 ALA 2 8.077 -10.580 -0.787 9 HB2 ALA 2 HB2 ALA 2 8.396 -11.325 -2.354 10 HB3 ALA 2 HB3 ALA 2 6.796 -11.459 -1.626 11 H MET 3 H MET 3 9.465 -9.179 -3.593 12 HA MET 3 HA MET 3 10.739 -7.472 -1.737 13 HB2 MET 3 HB2 MET 3 11.255 -8.027 -4.662 14 HB3 MET 3 HB1 MET 3 12.302 -7.005 -3.674 15 HG2 MET 3 HG2 MET 3 12.514 -8.927 -2.055 16 HG3 MET 3 HG1 MET 3 11.650 -9.929 -3.221 17 HE1 MET 3 HE1 MET 3 12.664 -9.106 -6.068 18 HE2 MET 3 HE2 MET 3 12.358 -10.680 -5.339 19 HE3 MET 3 HE3 MET 3 13.884 -10.382 -6.166 20 H GLY 4 H GLY 4 8.854 -6.823 -4.659 21 HA2 GLY 4 HA2 GLY 4 9.320 -3.989 -4.623 22 HA3 GLY 4 HA1 GLY 4 8.123 -4.838 -5.596 23 H ASN 5 H ASN 5 7.422 -2.455 -4.513 24 HA ASN 5 HA ASN 5 5.228 -3.214 -2.778 25 HB2 ASN 5 HB2 ASN 5 5.773 -1.568 -1.027 26 HB3 ASN 5 HB1 ASN 5 6.997 -2.830 -1.132 27 HD21 ASN 5 HD21 ASN 5 8.371 -1.068 -0.034 28 HD22 ASN 5 HD22 ASN 5 9.145 0.060 -1.040 29 H VAL 6 H VAL 6 4.022 -1.046 -2.135 30 HA VAL 6 HA VAL 6 4.030 0.732 -4.501 31 HB VAL 6 HB VAL 6 1.614 -0.203 -2.944 32 HG11 VAL 6 HG11 VAL 6 1.936 1.538 -5.395 33 HG12 VAL 6 HG12 VAL 6 1.298 2.025 -3.824 34 HG13 VAL 6 HG13 VAL 6 0.392 0.898 -4.834 35 HG21 VAL 6 HG21 VAL 6 1.240 -1.091 -5.482 36 HG22 VAL 6 HG22 VAL 6 1.956 -2.082 -4.208 37 HG23 VAL 6 HG23 VAL 6 2.994 -1.235 -5.359 38 H ASN 7 H ASN 7 3.890 2.906 -4.059 39 HA ASN 7 HA ASN 7 3.688 3.616 -1.192 40 HB2 ASN 7 HB2 ASN 7 5.222 5.108 -3.313 41 HB3 ASN 7 HB1 ASN 7 5.174 5.457 -1.587 42 HD21 ASN 7 HD21 ASN 7 5.738 3.260 -0.241 43 HD22 ASN 7 HD22 ASN 7 7.139 2.474 -0.790 44 H CYS 8 H CYS 8 1.726 4.411 -0.842 45 HA CYS 8 HA CYS 8 0.416 6.023 -2.893 46 HB2 CYS 8 HB2 CYS 8 -0.809 4.248 -1.511 47 HB3 CYS 8 HB1 CYS 8 -0.670 5.358 -0.149 48 H GLY 9 H GLY 9 -0.223 8.209 -2.507 49 HA2 GLY 9 HA2 GLY 9 1.733 9.807 -1.308 50 HA3 GLY 9 HA1 GLY 9 0.124 10.360 -1.760 51 H GLY 10 H GLY 10 -1.418 8.744 -0.047 52 HA2 GLY 10 HA2 GLY 10 -1.247 10.259 2.366 53 HA3 GLY 10 HA1 GLY 10 -2.344 8.920 2.055 54 H VAL 11 H VAL 11 -0.480 6.871 1.554 55 HA VAL 11 HA VAL 11 1.267 6.738 3.897 56 HB VAL 11 HB VAL 11 0.096 4.356 4.231 57 HG11 VAL 11 HG11 VAL 11 -0.985 6.972 5.347 58 HG12 VAL 11 HG12 VAL 11 0.420 6.103 5.966 59 HG13 VAL 11 HG13 VAL 11 -1.184 5.379 6.076 60 HG21 VAL 11 HG21 VAL 11 -1.535 5.116 2.341 61 HG22 VAL 11 HG22 VAL 11 -2.283 6.099 3.600 62 HG23 VAL 11 HG23 VAL 11 -2.208 4.346 3.776 63 HA PRO 12 HA PRO 12 3.339 3.821 1.232 64 HB2 PRO 12 HB2 PRO 12 4.919 2.535 3.018 65 HB3 PRO 12 HB1 PRO 12 5.188 4.241 2.612 66 HG2 PRO 12 HG2 PRO 12 3.950 3.043 5.026 67 HG3 PRO 12 HG1 PRO 12 4.938 4.503 4.864 68 HD2 PRO 12 HD2 PRO 12 2.135 4.441 5.054 69 HD3 PRO 12 HD1 PRO 12 3.106 5.825 4.505 70 H CYS 13 H CYS 13 2.349 2.037 0.398 71 HA CYS 13 HA CYS 13 1.317 0.007 2.297 72 HB2 CYS 13 HB2 CYS 13 -0.295 1.658 0.830 73 HB3 CYS 13 HB1 CYS 13 -0.148 0.261 -0.244 74 H LYS 14 H LYS 14 2.228 -1.924 2.021 75 HA LYS 14 HA LYS 14 3.990 -2.546 -0.076 76 HB2 LYS 14 HB2 LYS 14 2.471 -4.323 1.843 77 HB3 LYS 14 HB1 LYS 14 3.693 -4.926 0.725 78 HG2 LYS 14 HG2 LYS 14 5.358 -3.391 1.716 79 HG3 LYS 14 HG1 LYS 14 4.136 -2.802 2.845 80 HD2 LYS 14 HD2 LYS 14 3.885 -5.067 3.774 81 HD3 LYS 14 HD1 LYS 14 5.093 -5.673 2.639 82 HE2 LYS 14 HE2 LYS 14 6.774 -4.147 3.618 83 HE3 LYS 14 HE1 LYS 14 5.565 -3.555 4.759 84 HZ1 LYS 14 HZ1 LYS 14 6.746 -6.261 4.586 85 HZ2 LYS 14 HZ2 LYS 14 5.305 -5.965 5.435 86 HZ3 LYS 14 HZ3 LYS 14 6.745 -5.196 5.905 87 H PHE 15 H PHE 15 0.554 -3.295 0.381 88 HA PHE 15 HA PHE 15 0.030 -3.325 -2.396 89 HB2 PHE 15 HB2 PHE 15 1.173 -5.437 -2.452 90 HB3 PHE 15 HB1 PHE 15 0.254 -6.032 -1.067 91 HD1 PHE 15 HD1 PHE 15 -0.071 -4.859 -4.593 92 HD2 PHE 15 HD2 PHE 15 -1.887 -7.029 -1.359 93 HE1 PHE 15 HE1 PHE 15 -1.847 -5.662 -6.127 94 HE2 PHE 15 HE2 PHE 15 -3.662 -7.832 -2.895 95 HZ PHE 15 HZ PHE 15 -3.641 -7.149 -5.278 96 H GLY 16 H GLY 16 -2.016 -2.732 -2.599 97 HA2 GLY 16 HA2 GLY 16 -4.280 -3.866 -1.576 98 HA3 GLY 16 HA1 GLY 16 -3.784 -2.730 -0.324 99 H CYS 17 H CYS 17 -5.940 -1.782 -0.918 100 HA CYS 17 HA CYS 17 -5.827 -0.144 -3.370 101 HB2 CYS 17 HB2 CYS 17 -8.139 -0.714 -1.495 102 HB3 CYS 17 HB1 CYS 17 -8.230 0.226 -2.984 103 H CYS 18 H CYS 18 -5.536 2.030 -3.245 104 HA CYS 18 HA CYS 18 -5.583 3.236 -0.541 105 HB2 CYS 18 HB2 CYS 18 -3.316 3.095 -1.522 106 HB3 CYS 18 HB1 CYS 18 -3.874 4.035 -2.906 107 H ARG 19 H ARG 19 -7.129 4.668 -0.240 108 HA ARG 19 HA ARG 19 -7.911 6.443 -2.436 109 HB2 ARG 19 HB2 ARG 19 -9.519 4.629 -2.545 110 HB3 ARG 19 HB1 ARG 19 -9.825 4.748 -0.817 111 HG2 ARG 19 HG2 ARG 19 -11.611 5.848 -2.048 112 HG3 ARG 19 HG1 ARG 19 -10.679 7.050 -1.166 113 HD2 ARG 19 HD2 ARG 19 -9.417 7.588 -3.203 114 HD3 ARG 19 HD1 ARG 19 -10.312 6.360 -4.093 115 HE ARG 19 HE ARG 19 -11.282 8.958 -3.234 116 HH11 ARG 19 HH11 ARG 19 -12.096 5.775 -4.402 117 HH12 ARG 19 HH12 ARG 19 -13.628 6.273 -5.030 118 HH21 ARG 19 HH21 ARG 19 -13.267 9.585 -4.088 119 HH22 ARG 19 HH22 ARG 19 -14.295 8.415 -4.846 120 H GLU 20 H GLU 20 -8.435 8.498 -1.767 121 HA GLU 20 HA GLU 20 -8.434 10.329 -0.384 122 HB2 GLU 20 HB2 GLU 20 -9.888 8.331 1.353 123 HB3 GLU 20 HB1 GLU 20 -9.690 10.025 1.796 124 HG2 GLU 20 HG2 GLU 20 -10.999 9.035 -0.753 125 HG3 GLU 20 HG1 GLU 20 -11.859 9.623 0.664 126 H ASP 21 H ASP 21 -6.010 9.073 -0.428 127 HA ASP 21 HA ASP 21 -4.017 8.898 0.694 128 HB2 ASP 21 HB2 ASP 21 -5.493 10.840 2.477 129 HB3 ASP 21 HB1 ASP 21 -3.789 10.438 2.682 130 H ARG 22 H ARG 22 -6.022 6.882 1.272 131 HA ARG 22 HA ARG 22 -4.921 5.967 3.836 132 HB2 ARG 22 HB2 ARG 22 -7.103 6.981 4.370 133 HB3 ARG 22 HB1 ARG 22 -7.879 5.935 3.179 134 HG2 ARG 22 HG2 ARG 22 -7.203 3.949 4.422 135 HG3 ARG 22 HG1 ARG 22 -6.305 4.940 5.571 136 HD2 ARG 22 HD2 ARG 22 -8.463 4.369 6.541 137 HD3 ARG 22 HD1 ARG 22 -8.428 6.092 6.184 138 HE ARG 22 HE ARG 22 -9.510 4.655 3.981 139 HH11 ARG 22 HH11 ARG 22 -10.249 5.687 7.229 140 HH12 ARG 22 HH12 ARG 22 -11.954 5.759 6.945 141 HH21 ARG 22 HH21 ARG 22 -11.740 4.801 3.628 142 HH22 ARG 22 HH22 ARG 22 -12.794 5.267 4.922 143 H CYS 23 H CYS 23 -4.250 3.892 3.694 144 HA CYS 23 HA CYS 23 -5.055 2.398 1.293 145 HB2 CYS 23 HB2 CYS 23 -2.638 2.729 1.619 146 HB3 CYS 23 HB1 CYS 23 -2.736 1.892 3.171 147 H ARG 24 H ARG 24 -6.479 0.832 1.457 148 HA ARG 24 HA ARG 24 -6.827 -0.531 4.060 149 HB2 ARG 24 HB2 ARG 24 -8.770 0.880 3.354 150 HB3 ARG 24 HB1 ARG 24 -8.914 -0.117 1.905 151 HG2 ARG 24 HG2 ARG 24 -9.119 -2.134 3.417 152 HG3 ARG 24 HG1 ARG 24 -9.210 -1.021 4.781 153 HD2 ARG 24 HD2 ARG 24 -11.090 -1.025 2.406 154 HD3 ARG 24 HD1 ARG 24 -11.464 -1.694 3.989 155 HE ARG 24 HE ARG 24 -11.349 1.121 3.269 156 HH11 ARG 24 HH11 ARG 24 -11.365 -1.249 5.835 157 HH12 ARG 24 HH12 ARG 24 -11.898 -0.117 7.029 158 HH21 ARG 24 HH21 ARG 24 -12.034 2.568 4.851 159 HH22 ARG 24 HH22 ARG 24 -12.276 2.028 6.479 160 H GLU 25 H GLU 25 -6.560 -2.695 4.070 161 HA GLU 25 HA GLU 25 -6.364 -4.058 1.447 162 HB2 GLU 25 HB2 GLU 25 -5.005 -4.636 4.091 163 HB3 GLU 25 HB1 GLU 25 -4.978 -5.743 2.719 164 HG2 GLU 25 HG2 GLU 25 -3.868 -4.093 1.333 165 HG3 GLU 25 HG1 GLU 25 -4.033 -2.867 2.590 166 H ILE 26 H ILE 26 -8.731 -4.139 1.642 167 HA ILE 26 HA ILE 26 -9.756 -6.633 2.196 168 HB ILE 26 HB ILE 26 -9.370 -6.289 4.577 169 HG12 ILE 26 HG12 ILE 26 -12.302 -5.777 4.049 170 HG13 ILE 26 HG11 ILE 26 -11.533 -7.337 3.755 171 HG21 ILE 26 HG21 ILE 26 -10.589 -4.371 5.708 172 HG22 ILE 26 HG22 ILE 26 -10.854 -3.697 4.101 173 HG23 ILE 26 HG23 ILE 26 -9.212 -3.897 4.714 174 HD11 ILE 26 HD11 ILE 26 -10.946 -7.582 6.069 175 HD12 ILE 26 HD12 ILE 26 -12.640 -7.091 6.031 176 HD13 ILE 26 HD13 ILE 26 -11.388 -5.911 6.420 177 H ASP 27 H ASP 27 -11.966 -6.770 1.666 178 HA ASP 27 HA ASP 27 -13.877 -6.132 0.561 179 HB2 ASP 27 HB2 ASP 27 -14.150 -4.980 2.803 180 HB3 ASP 27 HB1 ASP 27 -13.557 -3.509 2.026 181 H CYS 28 H CYS 28 -11.510 -5.745 -0.903 182 HA CYS 28 HA CYS 28 -12.394 -3.594 -2.683 183 HB2 CYS 28 HB2 CYS 28 -10.670 -2.561 -1.252 184 HB3 CYS 28 HB1 CYS 28 -9.536 -3.832 -1.711 185 H ASP 29 H ASP 29 -12.348 -4.227 -4.747 186 HA ASP 29 HA ASP 29 -11.120 -6.812 -5.377 187 HB2 ASP 29 HB2 ASP 29 -13.109 -5.055 -6.813 188 HB3 ASP 29 HB1 ASP 29 -12.385 -6.476 -7.563 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 6.455 -16.582 -3.529 2 H2 GLY 1 HT2 GLY 1 7.051 -15.142 -2.854 3 H3 GLY 1 HT3 GLY 1 8.047 -16.095 -3.848 4 HA2 GLY 1 HA2 GLY 1 6.710 -15.625 -5.763 5 HA3 GLY 1 HA1 GLY 1 5.564 -14.741 -4.756 6 H ALA 2 H ALA 2 6.203 -13.079 -6.483 7 HA ALA 2 HA ALA 2 8.746 -11.851 -6.466 8 HB1 ALA 2 HB1 ALA 2 7.843 -10.415 -7.977 9 HB2 ALA 2 HB2 ALA 2 6.412 -10.115 -6.992 10 HB3 ALA 2 HB3 ALA 2 6.514 -11.573 -7.981 11 H MET 3 H MET 3 9.575 -10.135 -5.331 12 HA MET 3 HA MET 3 8.067 -9.342 -2.915 13 HB2 MET 3 HB2 MET 3 10.185 -10.513 -2.461 14 HB3 MET 3 HB1 MET 3 11.056 -9.311 -3.416 15 HG2 MET 3 HG2 MET 3 10.308 -7.537 -1.879 16 HG3 MET 3 HG1 MET 3 9.419 -8.725 -0.929 17 HE1 MET 3 HE1 MET 3 11.283 -10.464 1.163 18 HE2 MET 3 HE2 MET 3 11.838 -11.318 -0.276 19 HE3 MET 3 HE3 MET 3 10.194 -10.689 -0.213 20 H GLY 4 H GLY 4 7.440 -7.290 -2.723 21 HA2 GLY 4 HA2 GLY 4 8.909 -5.026 -3.528 22 HA3 GLY 4 HA1 GLY 4 7.721 -5.391 -4.779 23 H ASN 5 H ASN 5 7.225 -3.069 -3.813 24 HA ASN 5 HA ASN 5 4.802 -3.408 -2.258 25 HB2 ASN 5 HB2 ASN 5 5.443 -1.766 -0.529 26 HB3 ASN 5 HB1 ASN 5 6.448 -3.212 -0.465 27 HD21 ASN 5 HD21 ASN 5 8.036 -1.711 0.668 28 HD22 ASN 5 HD22 ASN 5 9.048 -0.741 -0.291 29 H VAL 6 H VAL 6 3.873 -1.079 -1.797 30 HA VAL 6 HA VAL 6 4.359 0.600 -4.184 31 HB VAL 6 HB VAL 6 1.680 -0.016 -2.927 32 HG11 VAL 6 HG11 VAL 6 2.448 1.571 -5.387 33 HG12 VAL 6 HG12 VAL 6 1.824 2.238 -3.878 34 HG13 VAL 6 HG13 VAL 6 0.798 1.212 -4.882 35 HG21 VAL 6 HG21 VAL 6 3.248 -1.328 -5.034 36 HG22 VAL 6 HG22 VAL 6 1.630 -0.862 -5.558 37 HG23 VAL 6 HG23 VAL 6 1.833 -1.916 -4.159 38 H ASN 7 H ASN 7 4.383 2.801 -3.810 39 HA ASN 7 HA ASN 7 4.000 3.606 -0.985 40 HB2 ASN 7 HB2 ASN 7 5.804 4.967 -2.977 41 HB3 ASN 7 HB1 ASN 7 5.714 5.226 -1.235 42 HD21 ASN 7 HD21 ASN 7 5.962 2.892 -0.011 43 HD22 ASN 7 HD22 ASN 7 7.300 1.996 -0.548 44 H CYS 8 H CYS 8 1.923 4.332 -1.039 45 HA CYS 8 HA CYS 8 0.989 6.072 -3.151 46 HB2 CYS 8 HB2 CYS 8 -0.509 4.488 -1.836 47 HB3 CYS 8 HB1 CYS 8 -0.336 5.588 -0.470 48 H GLY 9 H GLY 9 0.642 8.314 -2.969 49 HA2 GLY 9 HA2 GLY 9 2.598 9.749 -1.581 50 HA3 GLY 9 HA1 GLY 9 1.136 10.454 -2.259 51 H GLY 10 H GLY 10 -0.766 9.054 -0.710 52 HA2 GLY 10 HA2 GLY 10 -0.765 10.656 1.655 53 HA3 GLY 10 HA1 GLY 10 -1.936 9.410 1.244 54 H VAL 11 H VAL 11 -0.165 7.192 1.036 55 HA VAL 11 HA VAL 11 1.194 7.012 3.620 56 HB VAL 11 HB VAL 11 -0.128 4.754 3.904 57 HG11 VAL 11 HG11 VAL 11 -0.189 6.624 5.512 58 HG12 VAL 11 HG12 VAL 11 -1.799 5.942 5.286 59 HG13 VAL 11 HG13 VAL 11 -1.367 7.462 4.504 60 HG21 VAL 11 HG21 VAL 11 -2.343 6.364 2.687 61 HG22 VAL 11 HG22 VAL 11 -2.205 4.615 2.886 62 HG23 VAL 11 HG23 VAL 11 -1.294 5.433 1.618 63 HA PRO 12 HA PRO 12 3.463 3.881 1.375 64 HB2 PRO 12 HB2 PRO 12 4.666 2.573 3.416 65 HB3 PRO 12 HB1 PRO 12 5.124 4.237 3.003 66 HG2 PRO 12 HG2 PRO 12 3.421 3.238 5.222 67 HG3 PRO 12 HG1 PRO 12 4.568 4.587 5.196 68 HD2 PRO 12 HD2 PRO 12 1.795 4.838 4.960 69 HD3 PRO 12 HD1 PRO 12 2.977 6.068 4.466 70 H CYS 13 H CYS 13 2.424 2.124 0.490 71 HA CYS 13 HA CYS 13 1.037 0.277 2.335 72 HB2 CYS 13 HB2 CYS 13 -0.538 1.928 1.289 73 HB3 CYS 13 HB1 CYS 13 -0.123 1.251 -0.284 74 H LYS 14 H LYS 14 1.700 -1.765 2.059 75 HA LYS 14 HA LYS 14 3.443 -2.566 0.003 76 HB2 LYS 14 HB2 LYS 14 1.689 -4.168 1.871 77 HB3 LYS 14 HB1 LYS 14 2.850 -4.904 0.762 78 HG2 LYS 14 HG2 LYS 14 4.670 -3.593 1.791 79 HG3 LYS 14 HG1 LYS 14 3.514 -2.858 2.900 80 HD2 LYS 14 HD2 LYS 14 2.971 -5.080 3.822 81 HD3 LYS 14 HD1 LYS 14 4.123 -5.823 2.714 82 HE2 LYS 14 HE2 LYS 14 5.952 -4.518 3.729 83 HE3 LYS 14 HE1 LYS 14 4.803 -3.764 4.834 84 HZ1 LYS 14 HZ1 LYS 14 4.232 -6.226 5.383 85 HZ2 LYS 14 HZ2 LYS 14 5.580 -5.485 6.100 86 HZ3 LYS 14 HZ3 LYS 14 5.787 -6.532 4.778 87 H PHE 15 H PHE 15 -0.071 -2.928 0.348 88 HA PHE 15 HA PHE 15 -0.514 -2.874 -2.444 89 HB2 PHE 15 HB2 PHE 15 0.440 -5.092 -2.464 90 HB3 PHE 15 HB1 PHE 15 -0.630 -5.610 -1.161 91 HD1 PHE 15 HD1 PHE 15 -0.577 -4.359 -4.669 92 HD2 PHE 15 HD2 PHE 15 -2.840 -6.362 -1.615 93 HE1 PHE 15 HE1 PHE 15 -2.318 -4.935 -6.338 94 HE2 PHE 15 HE2 PHE 15 -4.583 -6.936 -3.283 95 HZ PHE 15 HZ PHE 15 -4.319 -6.228 -5.648 96 H GLY 16 H GLY 16 -2.574 -2.296 -2.809 97 HA2 GLY 16 HA2 GLY 16 -4.927 -3.155 -1.830 98 HA3 GLY 16 HA1 GLY 16 -4.367 -2.107 -0.529 99 H CYS 17 H CYS 17 -6.394 -0.931 -1.126 100 HA CYS 17 HA CYS 17 -6.136 0.715 -3.553 101 HB2 CYS 17 HB2 CYS 17 -8.443 0.446 -1.587 102 HB3 CYS 17 HB1 CYS 17 -8.475 1.362 -3.094 103 H CYS 18 H CYS 18 -5.474 2.800 -3.418 104 HA CYS 18 HA CYS 18 -5.166 3.933 -0.715 105 HB2 CYS 18 HB2 CYS 18 -3.134 3.763 -2.132 106 HB3 CYS 18 HB1 CYS 18 -3.900 4.822 -3.316 107 H ARG 19 H ARG 19 -6.870 5.092 -0.133 108 HA ARG 19 HA ARG 19 -7.794 7.216 -1.934 109 HB2 ARG 19 HB2 ARG 19 -9.552 5.178 -0.584 110 HB3 ARG 19 HB1 ARG 19 -10.156 6.723 -1.195 111 HG2 ARG 19 HG2 ARG 19 -9.266 6.212 -3.418 112 HG3 ARG 19 HG1 ARG 19 -8.632 4.680 -2.824 113 HD2 ARG 19 HD2 ARG 19 -10.895 3.904 -2.325 114 HD3 ARG 19 HD1 ARG 19 -11.559 5.456 -2.842 115 HE ARG 19 HE ARG 19 -9.976 4.460 -4.920 116 HH11 ARG 19 HH11 ARG 19 -12.931 3.696 -3.228 117 HH12 ARG 19 HH12 ARG 19 -13.646 2.915 -4.597 118 HH21 ARG 19 HH21 ARG 19 -10.941 3.420 -6.690 119 HH22 ARG 19 HH22 ARG 19 -12.533 2.761 -6.542 120 H GLU 20 H GLU 20 -8.688 9.041 -0.860 121 HA GLU 20 HA GLU 20 -8.670 10.630 0.809 122 HB2 GLU 20 HB2 GLU 20 -9.478 8.233 2.474 123 HB3 GLU 20 HB1 GLU 20 -9.705 9.924 2.917 124 HG2 GLU 20 HG2 GLU 20 -10.878 8.642 0.433 125 HG3 GLU 20 HG1 GLU 20 -11.758 8.887 1.941 126 H ASP 21 H ASP 21 -6.136 9.560 0.249 127 HA ASP 21 HA ASP 21 -4.009 9.429 1.094 128 HB2 ASP 21 HB2 ASP 21 -5.347 11.070 3.247 129 HB3 ASP 21 HB1 ASP 21 -3.611 10.772 3.191 130 H ARG 22 H ARG 22 -5.833 7.257 1.683 131 HA ARG 22 HA ARG 22 -4.362 6.081 3.926 132 HB2 ARG 22 HB2 ARG 22 -6.424 7.026 4.934 133 HB3 ARG 22 HB1 ARG 22 -7.389 6.090 3.795 134 HG2 ARG 22 HG2 ARG 22 -6.523 4.002 4.694 135 HG3 ARG 22 HG1 ARG 22 -5.421 4.882 5.757 136 HD2 ARG 22 HD2 ARG 22 -8.436 5.152 5.855 137 HD3 ARG 22 HD1 ARG 22 -7.510 4.081 6.903 138 HE ARG 22 HE ARG 22 -6.381 6.628 7.126 139 HH11 ARG 22 HH11 ARG 22 -9.415 5.034 7.788 140 HH12 ARG 22 HH12 ARG 22 -9.820 6.082 9.103 141 HH21 ARG 22 HH21 ARG 22 -6.937 7.984 8.843 142 HH22 ARG 22 HH22 ARG 22 -8.425 7.741 9.702 143 H CYS 23 H CYS 23 -3.903 3.949 3.562 144 HA CYS 23 HA CYS 23 -5.008 2.798 1.098 145 HB2 CYS 23 HB2 CYS 23 -2.567 2.862 1.241 146 HB3 CYS 23 HB1 CYS 23 -2.619 1.929 2.742 147 H ARG 24 H ARG 24 -6.550 1.329 1.193 148 HA ARG 24 HA ARG 24 -6.928 -0.205 3.692 149 HB2 ARG 24 HB2 ARG 24 -8.813 1.299 2.997 150 HB3 ARG 24 HB1 ARG 24 -8.974 0.335 1.531 151 HG2 ARG 24 HG2 ARG 24 -9.256 -1.696 2.973 152 HG3 ARG 24 HG1 ARG 24 -9.289 -0.629 4.379 153 HD2 ARG 24 HD2 ARG 24 -11.189 0.617 3.270 154 HD3 ARG 24 HD1 ARG 24 -11.223 -0.660 2.052 155 HE ARG 24 HE ARG 24 -11.339 -1.840 4.598 156 HH11 ARG 24 HH11 ARG 24 -13.242 0.146 2.465 157 HH12 ARG 24 HH12 ARG 24 -14.751 -0.424 3.088 158 HH21 ARG 24 HH21 ARG 24 -13.326 -2.574 5.400 159 HH22 ARG 24 HH22 ARG 24 -14.802 -1.956 4.741 160 H GLU 25 H GLU 25 -6.876 -2.390 3.617 161 HA GLU 25 HA GLU 25 -6.693 -3.652 0.945 162 HB2 GLU 25 HB2 GLU 25 -4.519 -3.647 2.159 163 HB3 GLU 25 HB1 GLU 25 -5.282 -4.539 3.473 164 HG2 GLU 25 HG2 GLU 25 -5.830 -6.377 1.939 165 HG3 GLU 25 HG1 GLU 25 -5.119 -5.481 0.596 166 H ILE 26 H ILE 26 -9.051 -3.778 1.233 167 HA ILE 26 HA ILE 26 -9.972 -6.319 1.777 168 HB ILE 26 HB ILE 26 -9.560 -6.057 4.130 169 HG12 ILE 26 HG12 ILE 26 -12.489 -5.417 3.744 170 HG13 ILE 26 HG11 ILE 26 -11.799 -6.989 3.337 171 HG21 ILE 26 HG21 ILE 26 -11.128 -3.987 5.054 172 HG22 ILE 26 HG22 ILE 26 -10.448 -3.314 3.571 173 HG23 ILE 26 HG23 ILE 26 -9.379 -3.912 4.840 174 HD11 ILE 26 HD11 ILE 26 -12.569 -5.980 5.919 175 HD12 ILE 26 HD12 ILE 26 -10.839 -6.324 5.922 176 HD13 ILE 26 HD13 ILE 26 -11.989 -7.592 5.497 177 H ASP 27 H ASP 27 -12.053 -6.553 1.079 178 HA ASP 27 HA ASP 27 -13.978 -5.996 -0.038 179 HB2 ASP 27 HB2 ASP 27 -14.414 -5.219 2.357 180 HB3 ASP 27 HB1 ASP 27 -14.087 -3.589 1.772 181 H CYS 28 H CYS 28 -11.614 -5.052 -1.290 182 HA CYS 28 HA CYS 28 -12.756 -2.787 -2.766 183 HB2 CYS 28 HB2 CYS 28 -11.169 -1.814 -1.130 184 HB3 CYS 28 HB1 CYS 28 -9.891 -2.832 -1.794 185 H ASP 29 H ASP 29 -12.600 -3.052 -4.903 186 HA ASP 29 HA ASP 29 -10.398 -4.327 -6.196 187 HB2 ASP 29 HB2 ASP 29 -11.611 -6.285 -7.073 188 HB3 ASP 29 HB1 ASP 29 -11.455 -6.353 -5.319
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