NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633116 | 6e5k | 30499 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 HT1 ASN 1 9.622 -11.387 -3.471 2 H2 ASN 1 HT2 ASN 1 9.574 -12.514 -2.213 3 H3 ASN 1 HT3 ASN 1 10.707 -11.259 -2.183 4 HA ASN 1 HA ASN 1 7.774 -10.943 -2.024 5 HB2 ASN 1 HB2 ASN 1 8.160 -10.255 0.297 6 HB3 ASN 1 HB1 ASN 1 8.740 -11.893 0.036 7 HD21 ASN 1 HD21 ASN 1 9.455 -9.825 2.028 8 HD22 ASN 1 HD22 ASN 1 11.174 -9.664 1.911 9 H ASP 2 HN ASP 2 7.307 -8.675 -1.151 10 HA ASP 2 HA ASP 2 9.155 -6.592 -1.816 11 HB2 ASP 2 HB2 ASP 2 8.347 -7.244 -4.077 12 HB3 ASP 2 HB1 ASP 2 6.697 -6.936 -3.553 13 H AIB 3 HN AIB 3 8.615 -4.759 -0.743 14 HB11 AIB 3 HB11 AIB 3 7.215 -2.395 1.546 15 HB12 AIB 3 HB12 AIB 3 7.822 -2.373 -0.108 16 HB13 AIB 3 HB13 AIB 3 8.724 -3.215 1.150 17 HB21 AIB 3 HB21 AIB 3 6.308 -5.925 1.616 18 HB22 AIB 3 HB22 AIB 3 6.275 -4.402 2.504 19 HB23 AIB 3 HB23 AIB 3 7.813 -5.209 2.195 20 H CYS 4 HN CYS 4 6.390 -3.240 -1.780 21 HA CYS 4 HA CYS 4 3.815 -2.237 -1.145 22 HB2 CYS 4 HB2 CYS 4 5.168 -1.192 -2.881 23 HB3 CYS 4 HB1 CYS 4 5.116 -2.664 -3.837 24 H LYS 5 HN LYS 5 4.982 -5.213 -2.555 25 HA LYS 5 HA LYS 5 2.500 -6.189 -3.487 26 HB2 LYS 5 HB2 LYS 5 4.561 -7.221 -4.211 27 HB3 LYS 5 HB1 LYS 5 4.987 -7.632 -2.557 28 HG2 LYS 5 HG2 LYS 5 4.240 -9.610 -3.670 29 HG3 LYS 5 HG1 LYS 5 3.027 -9.146 -2.478 30 HD2 LYS 5 HD2 LYS 5 1.647 -8.177 -4.226 31 HD3 LYS 5 HD1 LYS 5 2.882 -8.544 -5.432 32 HE2 LYS 5 HE2 LYS 5 1.120 -10.205 -5.522 33 HE3 LYS 5 HE1 LYS 5 2.612 -10.944 -4.942 34 HZ1 LYS 5 HZ1 LYS 5 0.373 -10.047 -3.211 35 HZ2 LYS 5 HZ2 LYS 5 1.779 -10.835 -2.696 36 HZ3 LYS 5 HZ3 LYS 5 0.664 -11.647 -3.670 37 H AIB 6 HN AIB 6 4.224 -6.577 -0.427 38 HB11 AIB 6 HB11 AIB 6 3.457 -7.406 2.960 39 HB12 AIB 6 HB12 AIB 6 4.166 -6.079 2.042 40 HB13 AIB 6 HB13 AIB 6 4.684 -7.737 1.735 41 HB21 AIB 6 HB21 AIB 6 1.543 -8.843 0.207 42 HB22 AIB 6 HB22 AIB 6 1.972 -8.992 1.911 43 HB23 AIB 6 HB23 AIB 6 3.175 -9.327 0.668 44 H LEU 7 HN LEU 7 2.655 -4.729 0.807 45 HA LEU 7 HA LEU 7 0.448 -4.216 2.489 46 HB2 LEU 7 HB2 LEU 7 1.591 -2.485 0.295 47 HB3 LEU 7 HB1 LEU 7 0.508 -1.943 1.556 48 HG LEU 7 HG LEU 7 3.314 -2.973 1.991 49 HD11 LEU 7 HD11 LEU 7 3.829 -0.655 2.561 50 HD12 LEU 7 HD12 LEU 7 2.182 -0.184 2.141 51 HD13 LEU 7 HD13 LEU 7 3.268 -0.795 0.894 52 HD21 LEU 7 HD21 LEU 7 1.847 -3.458 3.884 53 HD22 LEU 7 HD22 LEU 7 1.331 -1.773 3.923 54 HD23 LEU 7 HD23 LEU 7 3.004 -2.190 4.289 55 H LYS 8 HN LYS 8 0.749 -4.493 -1.013 56 HA LYS 8 HA LYS 8 -1.833 -3.733 -1.728 57 HB2 LYS 8 HB2 LYS 8 -0.013 -4.028 -3.338 58 HB3 LYS 8 HB1 LYS 8 -0.010 -5.758 -3.039 59 HG2 LYS 8 HG2 LYS 8 -2.324 -5.869 -3.919 60 HG3 LYS 8 HG1 LYS 8 -2.215 -4.153 -4.319 61 HD2 LYS 8 HD2 LYS 8 -0.314 -6.255 -5.353 62 HD3 LYS 8 HD1 LYS 8 -1.739 -5.699 -6.231 63 HE2 LYS 8 HE2 LYS 8 0.476 -3.874 -5.302 64 HE3 LYS 8 HE1 LYS 8 0.423 -4.608 -6.903 65 HZ1 LYS 8 HZ1 LYS 8 -1.641 -3.479 -7.342 66 HZ2 LYS 8 HZ2 LYS 8 -0.475 -2.347 -6.875 67 HZ3 LYS 8 HZ3 LYS 8 -1.671 -2.827 -5.784 68 H AIB 9 HN AIB 9 -0.536 -6.966 -1.089 69 HB11 AIB 9 HB11 AIB 9 -1.774 -10.186 -0.174 70 HB12 AIB 9 HB12 AIB 9 -0.562 -9.026 0.367 71 HB13 AIB 9 HB13 AIB 9 -0.686 -9.440 -1.344 72 HB21 AIB 9 HB21 AIB 9 -2.650 -8.770 -2.633 73 HB22 AIB 9 HB22 AIB 9 -3.922 -7.802 -1.891 74 HB23 AIB 9 HB23 AIB 9 -3.708 -9.487 -1.418 75 H ARG 10 HN ARG 10 -1.499 -6.766 1.376 76 HA ARG 10 HA ARG 10 -3.290 -7.784 3.317 77 HB2 ARG 10 HB2 ARG 10 -1.107 -6.723 3.852 78 HB3 ARG 10 HB1 ARG 10 -1.770 -5.169 3.362 79 HG2 ARG 10 HG2 ARG 10 -3.490 -5.407 5.131 80 HG3 ARG 10 HG1 ARG 10 -2.674 -6.874 5.671 81 HD2 ARG 10 HD2 ARG 10 -1.521 -4.087 5.592 82 HD3 ARG 10 HD1 ARG 10 -1.987 -4.990 7.031 83 HE ARG 10 HE ARG 10 -0.137 -6.591 5.828 84 HH11 ARG 10 HH11 ARG 10 1.518 -3.204 7.229 85 HH12 ARG 10 HH12 ARG 10 -0.196 -3.287 6.976 86 HH21 ARG 10 HH21 ARG 10 2.122 -6.498 6.174 87 HH22 ARG 10 HH22 ARG 10 2.842 -5.039 6.778 88 H TYR 11 HN TYR 11 -3.299 -4.872 1.332 89 HA TYR 11 HA TYR 11 -5.829 -4.032 2.539 90 HB2 TYR 11 HB2 TYR 11 -3.903 -2.568 0.728 91 HB3 TYR 11 HB1 TYR 11 -5.387 -1.885 1.377 92 HD1 TYR 11 HD1 TYR 11 -5.580 -2.074 4.032 93 HD2 TYR 11 HD2 TYR 11 -1.940 -2.116 1.836 94 HE1 TYR 11 HE1 TYR 11 -4.369 -1.330 6.034 95 HE2 TYR 11 HE2 TYR 11 -0.723 -1.374 3.832 96 HH TYR 11 HH TYR 11 -2.033 -1.441 6.924 97 H AIB 12 HN AIB 12 -5.786 -6.259 0.753 98 HB11 AIB 12 HB11 AIB 12 -7.546 -7.895 -0.049 99 HB12 AIB 12 HB12 AIB 12 -6.071 -7.989 -1.011 100 HB13 AIB 12 HB13 AIB 12 -7.643 -7.922 -1.809 101 HB21 AIB 12 HB21 AIB 12 -5.309 -6.079 -2.307 102 HB22 AIB 12 HB22 AIB 12 -6.258 -4.594 -2.357 103 HB23 AIB 12 HB23 AIB 12 -6.871 -6.059 -3.124 104 H GLY 13 HN GLY 13 -8.418 -5.540 1.051 105 HA2 GLY 13 HA2 GLY 13 -10.920 -5.206 -0.349 106 HA3 GLY 13 HA1 GLY 13 -10.665 -5.052 1.382 107 H CYS 14 HN CYS 14 -8.348 -3.239 0.018 108 HA CYS 14 HA CYS 14 -9.987 -0.811 -0.207 109 HB2 CYS 14 HB2 CYS 14 -7.381 -1.049 1.315 110 HB3 CYS 14 HB1 CYS 14 -8.339 0.412 1.126 111 H GLU 15 HN GLU 15 -8.000 0.983 -0.769 112 HA GLU 15 HA GLU 15 -6.452 -0.253 -2.953 113 HB2 GLU 15 HB2 GLU 15 -7.512 2.574 -2.786 114 HB3 GLU 15 HB1 GLU 15 -6.526 1.932 -4.093 115 HG2 GLU 15 HG2 GLU 15 -8.303 0.356 -4.657 116 HG3 GLU 15 HG1 GLU 15 -9.288 1.000 -3.342 117 HN1 MVA 16 HM1 MEV 16 -3.180 -0.589 -3.407 118 HN2 MVA 16 HM2 MEV 16 -4.751 -0.061 -4.006 119 HN3 MVA 16 HM3 MEV 16 -4.654 -1.300 -2.754 120 HA MVA 16 HA MEV 16 -3.244 2.027 -0.884 121 HB MVA 16 HB MEV 16 -3.096 -0.192 0.212 122 HG11 MVA 16 HG11 MEV 16 -1.121 -0.819 -1.969 123 HG12 MVA 16 HG12 MEV 16 -2.628 -1.669 -1.616 124 HG13 MVA 16 HG13 MEV 16 -1.289 -1.731 -0.468 125 HG21 MVA 16 HG21 MEV 16 -0.504 1.219 -0.385 126 HG22 MVA 16 HG22 MEV 16 -0.744 0.071 0.931 127 HG23 MVA 16 HG23 MEV 16 -1.644 1.589 0.910 128 H ARG 17 HN ARG 17 -2.189 3.466 -1.849 129 HA ARG 17 HA ARG 17 -0.652 2.917 -4.259 130 HB2 ARG 17 HB2 ARG 17 -2.163 4.852 -4.231 131 HB3 ARG 17 HB1 ARG 17 -1.326 5.495 -2.829 132 HG2 ARG 17 HG2 ARG 17 0.731 5.650 -4.209 133 HG3 ARG 17 HG1 ARG 17 -0.235 5.178 -5.608 134 HD2 ARG 17 HD2 ARG 17 -1.671 7.128 -5.293 135 HD3 ARG 17 HD1 ARG 17 -0.747 7.588 -3.864 136 HE ARG 17 HE ARG 17 0.445 7.486 -6.562 137 HH11 ARG 17 HH11 ARG 17 0.978 10.427 -3.877 138 HH12 ARG 17 HH12 ARG 17 -0.078 9.103 -3.487 139 HH21 ARG 17 HH21 ARG 17 1.821 9.226 -7.065 140 HH22 ARG 17 HH22 ARG 17 2.066 10.493 -5.905 141 H CYS 18 HN CYS 18 1.255 2.008 -3.705 142 HA CYS 18 HA CYS 18 2.723 2.886 -1.380 143 HB2 CYS 18 HB2 CYS 18 4.413 1.209 -2.182 144 HB3 CYS 18 HB1 CYS 18 2.808 0.539 -1.907 145 H ASP 19 HN ASP 19 4.301 4.375 -1.345 146 HA ASP 19 HA ASP 19 5.540 5.172 -3.879 147 HB2 ASP 19 HB2 ASP 19 3.726 6.788 -3.396 148 HB3 ASP 19 HB1 ASP 19 4.470 7.126 -1.835 149 HA DPR 20 HA DPR 20 9.432 5.547 -1.788 150 HB2 DPR 20 HB2 DPR 20 10.717 3.860 -2.630 151 HB3 DPR 20 HB1 DPR 20 9.567 2.611 -2.147 152 HG2 DPR 20 HG2 DPR 20 9.538 4.379 -4.558 153 HG3 DPR 20 HG1 DPR 20 9.165 2.650 -4.428 154 HD2 DPR 20 HD2 DPR 20 7.239 4.527 -4.572 155 HD3 DPR 20 HD1 DPR 20 7.037 3.040 -3.626 156 HA PRO 21 HA PRO 21 9.221 3.629 2.250 157 HB2 PRO 21 HB2 PRO 21 9.567 5.842 3.701 158 HB3 PRO 21 HB1 PRO 21 10.884 5.176 2.728 159 HG2 PRO 21 HG2 PRO 21 9.046 7.456 2.113 160 HG3 PRO 21 HG1 PRO 21 10.800 7.351 1.891 161 HD2 PRO 21 HD2 PRO 21 8.981 6.948 -0.121 162 HD3 PRO 21 HD1 PRO 21 10.601 6.227 -0.097 163 H ARG 22 HN ARG 22 6.941 5.644 0.805 164 HA ARG 22 HA ARG 22 5.226 5.686 3.202 165 HB2 ARG 22 HB2 ARG 22 4.923 7.297 0.665 166 HB3 ARG 22 HB1 ARG 22 3.994 7.484 2.144 167 HG2 ARG 22 HG2 ARG 22 5.987 8.247 3.314 168 HG3 ARG 22 HG1 ARG 22 6.940 8.030 1.843 169 HD2 ARG 22 HD2 ARG 22 4.660 9.953 2.282 170 HD3 ARG 22 HD1 ARG 22 6.358 10.354 2.030 171 HE ARG 22 HE ARG 22 6.044 9.339 -0.255 172 HH11 ARG 22 HH11 ARG 22 3.374 10.793 1.495 173 HH12 ARG 22 HH12 ARG 22 2.462 11.132 0.060 174 HH21 ARG 22 HH21 ARG 22 3.275 10.553 -1.991 175 HH22 ARG 22 HH22 ARG 22 4.819 9.754 -2.134 176 H TYR 23 HN TYR 23 2.936 5.331 2.850 177 HA TYR 23 HA TYR 23 2.105 4.233 0.311 178 HB2 TYR 23 HB2 TYR 23 1.169 2.197 1.214 179 HB3 TYR 23 HB1 TYR 23 2.886 2.248 1.582 180 HD1 TYR 23 HD1 TYR 23 -0.461 2.106 2.926 181 HD2 TYR 23 HD2 TYR 23 3.622 2.775 3.911 182 HE1 TYR 23 HE1 TYR 23 -0.981 1.726 5.296 183 HE2 TYR 23 HE2 TYR 23 3.115 2.402 6.287 184 HH TYR 23 HH TYR 23 1.149 2.540 7.797 185 H GLU 24 HN GLU 24 -0.024 4.581 -0.084 186 HA GLU 24 HA GLU 24 -1.528 5.950 2.045 187 HB2 GLU 24 HB2 GLU 24 -1.831 6.342 -0.935 188 HB3 GLU 24 HB1 GLU 24 -2.597 7.281 0.337 189 HG2 GLU 24 HG2 GLU 24 -0.369 8.068 1.051 190 HG3 GLU 24 HG1 GLU 24 0.341 7.200 -0.310 191 HN1 MVA 25 HM1 MEV 25 -4.662 5.482 3.250 192 HN2 MVA 25 HM2 MEV 25 -3.524 6.493 2.359 193 HN3 MVA 25 HM3 MEV 25 -2.931 5.332 3.547 194 HA MVA 25 HA MEV 25 -4.599 3.062 0.608 195 HB MVA 25 HB MEV 25 -3.404 1.712 2.134 196 HG11 MVA 25 HG11 MEV 25 -3.094 3.134 4.020 197 HG12 MVA 25 HG12 MEV 25 -3.915 1.670 4.563 198 HG13 MVA 25 HG13 MEV 25 -4.826 3.164 4.349 199 HG21 MVA 25 HG21 MEV 25 -6.348 1.652 2.763 200 HG22 MVA 25 HG22 MEV 25 -5.211 0.346 3.101 201 HG23 MVA 25 HG23 MEV 25 -5.531 0.828 1.435 202 H HIS 26 HN HIS 26 -6.490 3.466 0.008 203 HA HIS 26 HA HIS 26 -8.312 4.933 1.780 204 HB2 HIS 26 HB2 HIS 26 -8.350 4.548 -1.216 205 HB3 HIS 26 HB1 HIS 26 -9.602 5.382 -0.313 206 HD1 HIS 26 HD1 HIS 26 -9.241 7.815 0.157 207 HD2 HIS 26 HD2 HIS 26 -5.788 5.918 -1.176 208 HE1 HIS 26 HE1 HIS 26 -7.574 9.651 -0.251 209 HE2 HIS 26 HE2 HIS 26 -5.445 8.466 -0.893 210 H CYS 27 HN CYS 27 -9.962 3.896 2.648 211 HA CYS 27 HA CYS 27 -10.802 1.345 1.450 212 HB2 CYS 27 HB2 CYS 27 -10.892 2.213 4.345 213 HB3 CYS 27 HB1 CYS 27 -11.542 0.701 3.724 214 HN1 NH2 28 HN1 NH2 28 -12.250 2.511 0.101 215 HN2 NH2 28 HN2 NH2 28 -13.723 3.159 0.727 Start of MODEL 2 1 H1 ASN 1 HT1 ASN 1 9.972 -11.049 -2.385 2 H2 ASN 1 HT2 ASN 1 9.292 -12.311 -1.486 3 H3 ASN 1 HT3 ASN 1 10.081 -11.042 -0.697 4 HA ASN 1 HA ASN 1 7.603 -10.789 -2.292 5 HB2 ASN 1 HB2 ASN 1 7.253 -11.997 -0.164 6 HB3 ASN 1 HB1 ASN 1 8.032 -10.682 0.708 7 HD21 ASN 1 HD21 ASN 1 5.195 -11.690 -1.030 8 HD22 ASN 1 HD22 ASN 1 4.175 -10.393 -0.509 9 H ASP 2 HN ASP 2 7.141 -8.755 -2.879 10 HA ASP 2 HA ASP 2 9.016 -6.664 -2.168 11 HB2 ASP 2 HB2 ASP 2 8.263 -6.948 -4.516 12 HB3 ASP 2 HB1 ASP 2 6.623 -6.550 -4.013 13 H AIB 3 HN AIB 3 8.493 -4.729 -1.162 14 HB11 AIB 3 HB11 AIB 3 8.643 -3.155 0.717 15 HB12 AIB 3 HB12 AIB 3 7.132 -2.344 1.126 16 HB13 AIB 3 HB13 AIB 3 7.704 -2.355 -0.541 17 HB21 AIB 3 HB21 AIB 3 7.800 -5.141 1.816 18 HB22 AIB 3 HB22 AIB 3 6.296 -5.897 1.293 19 HB23 AIB 3 HB23 AIB 3 6.256 -4.360 2.157 20 H CYS 4 HN CYS 4 6.235 -3.426 -2.199 21 HA CYS 4 HA CYS 4 3.691 -2.339 -1.607 22 HB2 CYS 4 HB2 CYS 4 4.929 -3.095 -4.252 23 HB3 CYS 4 HB1 CYS 4 3.453 -2.160 -4.068 24 H LYS 5 HN LYS 5 4.772 -5.476 -2.718 25 HA LYS 5 HA LYS 5 2.191 -6.416 -3.461 26 HB2 LYS 5 HB2 LYS 5 4.323 -7.454 -4.246 27 HB3 LYS 5 HB1 LYS 5 4.593 -8.050 -2.613 28 HG2 LYS 5 HG2 LYS 5 2.549 -9.377 -2.748 29 HG3 LYS 5 HG1 LYS 5 2.257 -8.765 -4.377 30 HD2 LYS 5 HD2 LYS 5 4.393 -9.774 -5.101 31 HD3 LYS 5 HD1 LYS 5 4.593 -10.451 -3.482 32 HE2 LYS 5 HE2 LYS 5 3.672 -12.110 -5.023 33 HE3 LYS 5 HE1 LYS 5 2.521 -11.717 -3.746 34 HZ1 LYS 5 HZ1 LYS 5 1.384 -10.232 -5.297 35 HZ2 LYS 5 HZ2 LYS 5 1.425 -11.815 -5.883 36 HZ3 LYS 5 HZ3 LYS 5 2.472 -10.653 -6.520 37 H AIB 6 HN AIB 6 4.174 -6.646 -0.554 38 HB11 AIB 6 HB11 AIB 6 4.806 -7.520 1.676 39 HB12 AIB 6 HB12 AIB 6 3.642 -7.141 2.947 40 HB13 AIB 6 HB13 AIB 6 4.227 -5.865 1.878 41 HB21 AIB 6 HB21 AIB 6 2.135 -8.836 2.156 42 HB22 AIB 6 HB22 AIB 6 3.299 -9.267 0.905 43 HB23 AIB 6 HB23 AIB 6 1.635 -8.888 0.467 44 H LEU 7 HN LEU 7 2.630 -4.688 0.643 45 HA LEU 7 HA LEU 7 0.512 -4.074 2.387 46 HB2 LEU 7 HB2 LEU 7 1.475 -2.567 -0.042 47 HB3 LEU 7 HB1 LEU 7 0.382 -1.924 1.163 48 HG LEU 7 HG LEU 7 3.242 -2.750 1.680 49 HD11 LEU 7 HD11 LEU 7 3.646 -0.345 1.898 50 HD12 LEU 7 HD12 LEU 7 1.978 -0.023 1.423 51 HD13 LEU 7 HD13 LEU 7 3.096 -0.763 0.277 52 HD21 LEU 7 HD21 LEU 7 1.221 -1.366 3.441 53 HD22 LEU 7 HD22 LEU 7 2.913 -1.648 3.843 54 HD23 LEU 7 HD23 LEU 7 1.816 -3.014 3.646 55 H LYS 8 HN LYS 8 0.564 -4.611 -1.116 56 HA LYS 8 HA LYS 8 -2.123 -3.955 -1.571 57 HB2 LYS 8 HB2 LYS 8 -0.341 -4.184 -3.319 58 HB3 LYS 8 HB1 LYS 8 -0.463 -5.929 -3.142 59 HG2 LYS 8 HG2 LYS 8 -2.767 -5.871 -3.883 60 HG3 LYS 8 HG1 LYS 8 -2.707 -4.111 -3.994 61 HD2 LYS 8 HD2 LYS 8 -0.911 -4.315 -5.679 62 HD3 LYS 8 HD1 LYS 8 -1.076 -6.070 -5.608 63 HE2 LYS 8 HE2 LYS 8 -2.291 -5.167 -7.515 64 HE3 LYS 8 HE1 LYS 8 -3.400 -5.880 -6.347 65 HZ1 LYS 8 HZ1 LYS 8 -3.919 -3.679 -5.529 66 HZ2 LYS 8 HZ2 LYS 8 -4.201 -3.754 -7.192 67 HZ3 LYS 8 HZ3 LYS 8 -2.820 -2.980 -6.607 68 H AIB 9 HN AIB 9 -0.572 -7.084 -0.967 69 HB11 AIB 9 HB11 AIB 9 -1.519 -10.309 0.232 70 HB12 AIB 9 HB12 AIB 9 -0.387 -9.018 0.634 71 HB13 AIB 9 HB13 AIB 9 -0.535 -9.576 -1.033 72 HB21 AIB 9 HB21 AIB 9 -3.562 -9.833 -0.999 73 HB22 AIB 9 HB22 AIB 9 -2.553 -9.181 -2.291 74 HB23 AIB 9 HB23 AIB 9 -3.866 -8.214 -1.624 75 H ARG 10 HN ARG 10 -1.407 -6.854 1.521 76 HA ARG 10 HA ARG 10 -3.045 -7.839 3.604 77 HB2 ARG 10 HB2 ARG 10 -0.883 -6.772 4.009 78 HB3 ARG 10 HB1 ARG 10 -1.498 -5.252 3.380 79 HG2 ARG 10 HG2 ARG 10 -3.001 -5.025 5.223 80 HG3 ARG 10 HG1 ARG 10 -2.593 -6.637 5.815 81 HD2 ARG 10 HD2 ARG 10 -0.683 -4.310 5.591 82 HD3 ARG 10 HD1 ARG 10 -1.444 -4.868 7.080 83 HE ARG 10 HE ARG 10 -0.164 -7.073 6.057 84 HH11 ARG 10 HH11 ARG 10 2.417 -4.370 7.517 85 HH12 ARG 10 HH12 ARG 10 0.825 -3.861 7.045 86 HH21 ARG 10 HH21 ARG 10 1.916 -7.731 6.682 87 HH22 ARG 10 HH22 ARG 10 3.034 -6.563 7.317 88 H TYR 11 HN TYR 11 -3.307 -5.082 1.444 89 HA TYR 11 HA TYR 11 -5.810 -4.276 2.738 90 HB2 TYR 11 HB2 TYR 11 -3.980 -2.839 0.809 91 HB3 TYR 11 HB1 TYR 11 -5.512 -2.191 1.374 92 HD1 TYR 11 HD1 TYR 11 -5.799 -1.861 3.896 93 HD2 TYR 11 HD2 TYR 11 -2.026 -2.524 2.051 94 HE1 TYR 11 HE1 TYR 11 -4.677 -0.913 5.865 95 HE2 TYR 11 HE2 TYR 11 -0.892 -1.582 4.015 96 HH TYR 11 HH TYR 11 -2.564 -0.913 6.965 97 H AIB 12 HN AIB 12 -6.108 -6.552 1.380 98 HB11 AIB 12 HB11 AIB 12 -8.143 -8.021 0.840 99 HB12 AIB 12 HB12 AIB 12 -6.642 -8.577 0.100 100 HB13 AIB 12 HB13 AIB 12 -8.116 -8.476 -0.863 101 HB21 AIB 12 HB21 AIB 12 -5.483 -7.186 -1.535 102 HB22 AIB 12 HB22 AIB 12 -6.173 -5.648 -2.046 103 HB23 AIB 12 HB23 AIB 12 -6.970 -7.161 -2.480 104 H GLY 13 HN GLY 13 -8.678 -5.359 1.251 105 HA2 GLY 13 HA2 GLY 13 -10.843 -4.920 -0.676 106 HA3 GLY 13 HA1 GLY 13 -10.991 -4.825 1.069 107 H CYS 14 HN CYS 14 -8.229 -3.255 -0.141 108 HA CYS 14 HA CYS 14 -9.618 -0.671 -0.233 109 HB2 CYS 14 HB2 CYS 14 -7.087 -1.108 1.346 110 HB3 CYS 14 HB1 CYS 14 -8.074 0.343 1.296 111 H GLU 15 HN GLU 15 -8.150 1.062 -1.065 112 HA GLU 15 HA GLU 15 -6.386 -0.016 -3.138 113 HB2 GLU 15 HB2 GLU 15 -7.564 2.743 -2.756 114 HB3 GLU 15 HB1 GLU 15 -6.504 2.285 -4.081 115 HG2 GLU 15 HG2 GLU 15 -9.191 1.059 -3.511 116 HG3 GLU 15 HG1 GLU 15 -8.874 2.304 -4.716 117 HN1 MVA 16 HM1 MEV 16 -4.541 -1.024 -3.111 118 HN2 MVA 16 HM2 MEV 16 -3.108 -0.189 -3.711 119 HN3 MVA 16 HM3 MEV 16 -4.712 0.345 -4.208 120 HA MVA 16 HA MEV 16 -3.147 2.150 -0.973 121 HB MVA 16 HB MEV 16 -3.222 -0.057 0.118 122 HG11 MVA 16 HG11 MEV 16 -1.196 -0.871 -1.955 123 HG12 MVA 16 HG12 MEV 16 -2.815 -1.543 -1.742 124 HG13 MVA 16 HG13 MEV 16 -1.589 -1.781 -0.496 125 HG21 MVA 16 HG21 MEV 16 -1.631 1.612 0.839 126 HG22 MVA 16 HG22 MEV 16 -0.472 1.068 -0.374 127 HG23 MVA 16 HG23 MEV 16 -0.916 0.005 0.961 128 H ARG 17 HN ARG 17 -1.811 3.472 -1.736 129 HA ARG 17 HA ARG 17 -0.147 2.814 -4.053 130 HB2 ARG 17 HB2 ARG 17 -1.365 4.752 -4.513 131 HB3 ARG 17 HB1 ARG 17 -1.229 5.344 -2.871 132 HG2 ARG 17 HG2 ARG 17 1.181 5.756 -3.281 133 HG3 ARG 17 HG1 ARG 17 0.916 5.310 -4.969 134 HD2 ARG 17 HD2 ARG 17 -0.471 7.156 -5.363 135 HD3 ARG 17 HD1 ARG 17 -0.730 7.439 -3.642 136 HE ARG 17 HE ARG 17 1.998 7.761 -4.139 137 HH11 ARG 17 HH11 ARG 17 -0.354 10.857 -5.181 138 HH12 ARG 17 HH12 ARG 17 -1.039 9.269 -5.025 139 HH21 ARG 17 HH21 ARG 17 2.902 9.854 -4.340 140 HH22 ARG 17 HH22 ARG 17 1.894 11.190 -4.792 141 H CYS 18 HN CYS 18 1.890 2.243 -3.605 142 HA CYS 18 HA CYS 18 2.958 2.866 -0.960 143 HB2 CYS 18 HB2 CYS 18 4.662 1.137 -1.526 144 HB3 CYS 18 HB1 CYS 18 3.007 0.536 -1.580 145 H ASP 19 HN ASP 19 4.368 4.449 -0.669 146 HA ASP 19 HA ASP 19 6.270 5.058 -2.824 147 HB2 ASP 19 HB2 ASP 19 4.694 7.023 -1.166 148 HB3 ASP 19 HB1 ASP 19 6.184 7.475 -1.983 149 HA DPR 20 HA DPR 20 9.591 4.977 -0.010 150 HB2 DPR 20 HB2 DPR 20 10.531 3.231 -1.115 151 HB3 DPR 20 HB1 DPR 20 10.026 2.300 0.299 152 HG2 DPR 20 HG2 DPR 20 9.195 1.631 -2.141 153 HG3 DPR 20 HG1 DPR 20 8.110 1.509 -0.744 154 HD2 DPR 20 HD2 DPR 20 8.225 3.610 -2.876 155 HD3 DPR 20 HD1 DPR 20 6.811 2.859 -2.108 156 HA PRO 21 HA PRO 21 8.642 3.736 4.161 157 HB2 PRO 21 HB2 PRO 21 8.772 6.171 5.290 158 HB3 PRO 21 HB1 PRO 21 10.216 5.316 4.735 159 HG2 PRO 21 HG2 PRO 21 8.666 7.484 3.378 160 HG3 PRO 21 HG1 PRO 21 10.421 7.311 3.549 161 HD2 PRO 21 HD2 PRO 21 9.079 6.620 1.290 162 HD3 PRO 21 HD1 PRO 21 10.566 5.805 1.814 163 H ARG 22 HN ARG 22 6.652 5.665 2.144 164 HA ARG 22 HA ARG 22 4.536 5.590 4.197 165 HB2 ARG 22 HB2 ARG 22 3.596 7.645 3.247 166 HB3 ARG 22 HB1 ARG 22 5.235 7.898 3.829 167 HG2 ARG 22 HG2 ARG 22 6.094 7.835 1.584 168 HG3 ARG 22 HG1 ARG 22 4.499 7.426 0.952 169 HD2 ARG 22 HD2 ARG 22 5.161 9.973 2.427 170 HD3 ARG 22 HD1 ARG 22 5.105 9.823 0.673 171 HE ARG 22 HE ARG 22 2.664 8.966 1.347 172 HH11 ARG 22 HH11 ARG 22 4.480 11.783 2.367 173 HH12 ARG 22 HH12 ARG 22 3.068 12.753 2.638 174 HH21 ARG 22 HH21 ARG 22 0.977 11.869 2.284 175 HH22 ARG 22 HH22 ARG 22 0.798 10.227 1.723 176 H TYR 23 HN TYR 23 2.330 5.550 3.321 177 HA TYR 23 HA TYR 23 1.994 4.804 0.561 178 HB2 TYR 23 HB2 TYR 23 0.871 2.673 1.030 179 HB3 TYR 23 HB1 TYR 23 2.557 2.637 1.521 180 HD1 TYR 23 HD1 TYR 23 -0.913 2.595 2.669 181 HD2 TYR 23 HD2 TYR 23 3.165 2.497 3.866 182 HE1 TYR 23 HE1 TYR 23 -1.593 1.863 4.915 183 HE2 TYR 23 HE2 TYR 23 2.497 1.766 6.111 184 HH TYR 23 HH TYR 23 0.576 1.826 7.569 185 H GLU 24 HN GLU 24 -0.057 5.077 -0.166 186 HA GLU 24 HA GLU 24 -1.891 6.463 1.653 187 HB2 GLU 24 HB2 GLU 24 -1.961 6.270 -1.364 188 HB3 GLU 24 HB1 GLU 24 -2.966 7.302 -0.364 189 HG2 GLU 24 HG2 GLU 24 0.022 7.531 -0.492 190 HG3 GLU 24 HG1 GLU 24 -1.070 8.442 -1.530 191 HN1 MVA 25 HM1 MEV 25 -3.912 6.764 2.066 192 HN2 MVA 25 HM2 MEV 25 -3.009 5.802 3.236 193 HN3 MVA 25 HM3 MEV 25 -4.768 5.679 3.158 194 HA MVA 25 HA MEV 25 -4.698 3.176 0.579 195 HB MVA 25 HB MEV 25 -3.332 2.089 2.238 196 HG11 MVA 25 HG11 MEV 25 -5.105 3.395 4.287 197 HG12 MVA 25 HG12 MEV 25 -3.370 3.629 4.071 198 HG13 MVA 25 HG13 MEV 25 -3.989 2.072 4.623 199 HG21 MVA 25 HG21 MEV 25 -5.270 0.911 1.431 200 HG22 MVA 25 HG22 MEV 25 -6.281 1.663 2.662 201 HG23 MVA 25 HG23 MEV 25 -5.016 0.530 3.134 202 H HIS 26 HN HIS 26 -6.636 3.477 -0.008 203 HA HIS 26 HA HIS 26 -8.542 4.735 1.858 204 HB2 HIS 26 HB2 HIS 26 -8.421 4.751 -1.154 205 HB3 HIS 26 HB1 HIS 26 -9.873 5.194 -0.272 206 HD1 HIS 26 HD1 HIS 26 -10.100 7.613 0.109 207 HD2 HIS 26 HD2 HIS 26 -6.120 6.471 -0.222 208 HE1 HIS 26 HE1 HIS 26 -8.776 9.741 0.251 209 HE2 HIS 26 HE2 HIS 26 -6.368 9.003 0.229 210 H CYS 27 HN CYS 27 -9.928 3.370 2.717 211 HA CYS 27 HA CYS 27 -10.562 0.884 1.316 212 HB2 CYS 27 HB2 CYS 27 -11.113 1.754 4.157 213 HB3 CYS 27 HB1 CYS 27 -11.545 0.188 3.480 214 HN1 NH2 28 HN1 NH2 28 -11.995 1.620 -0.217 215 HN2 NH2 28 HN2 NH2 28 -13.551 2.261 0.172 Start of MODEL 3 1 H1 ASN 1 HT1 ASN 1 10.051 -11.461 -1.150 2 H2 ASN 1 HT2 ASN 1 9.362 -11.493 -2.693 3 H3 ASN 1 HT3 ASN 1 8.817 -12.560 -1.501 4 HA ASN 1 HA ASN 1 7.261 -10.764 -1.830 5 HB2 ASN 1 HB2 ASN 1 8.748 -10.856 0.796 6 HB3 ASN 1 HB1 ASN 1 7.290 -9.896 0.579 7 HD21 ASN 1 HD21 ASN 1 6.187 -11.112 2.111 8 HD22 ASN 1 HD22 ASN 1 5.625 -12.715 1.772 9 H ASP 2 HN ASP 2 6.786 -8.505 -1.490 10 HA ASP 2 HA ASP 2 9.072 -6.701 -1.437 11 HB2 ASP 2 HB2 ASP 2 8.671 -7.084 -3.824 12 HB3 ASP 2 HB1 ASP 2 6.973 -6.674 -3.617 13 H AIB 3 HN AIB 3 8.477 -4.524 -0.915 14 HB11 AIB 3 HB11 AIB 3 8.485 -2.654 0.698 15 HB12 AIB 3 HB12 AIB 3 6.943 -1.808 0.819 16 HB13 AIB 3 HB13 AIB 3 7.658 -2.118 -0.763 17 HB21 AIB 3 HB21 AIB 3 6.056 -3.632 2.158 18 HB22 AIB 3 HB22 AIB 3 7.608 -4.461 2.029 19 HB23 AIB 3 HB23 AIB 3 6.123 -5.293 1.569 20 H CYS 4 HN CYS 4 6.249 -3.278 -2.270 21 HA CYS 4 HA CYS 4 3.648 -2.242 -1.907 22 HB2 CYS 4 HB2 CYS 4 4.989 -3.233 -4.423 23 HB3 CYS 4 HB1 CYS 4 3.497 -2.309 -4.375 24 H LYS 5 HN LYS 5 4.859 -5.412 -2.822 25 HA LYS 5 HA LYS 5 2.404 -6.583 -3.537 26 HB2 LYS 5 HB2 LYS 5 4.589 -7.605 -4.045 27 HB3 LYS 5 HB1 LYS 5 4.860 -7.882 -2.332 28 HG2 LYS 5 HG2 LYS 5 2.836 -9.349 -2.327 29 HG3 LYS 5 HG1 LYS 5 2.780 -9.174 -4.084 30 HD2 LYS 5 HD2 LYS 5 5.056 -10.101 -4.227 31 HD3 LYS 5 HD1 LYS 5 5.068 -10.315 -2.476 32 HE2 LYS 5 HE2 LYS 5 4.538 -12.419 -3.523 33 HE3 LYS 5 HE1 LYS 5 3.107 -11.813 -2.690 34 HZ1 LYS 5 HZ1 LYS 5 2.272 -11.002 -4.822 35 HZ2 LYS 5 HZ2 LYS 5 2.541 -12.670 -4.862 36 HZ3 LYS 5 HZ3 LYS 5 3.637 -11.623 -5.605 37 H AIB 6 HN AIB 6 4.169 -6.533 -0.476 38 HB11 AIB 6 HB11 AIB 6 3.508 -6.999 2.995 39 HB12 AIB 6 HB12 AIB 6 4.154 -5.749 1.934 40 HB13 AIB 6 HB13 AIB 6 4.705 -7.417 1.769 41 HB21 AIB 6 HB21 AIB 6 3.188 -9.145 0.999 42 HB22 AIB 6 HB22 AIB 6 1.564 -8.741 0.441 43 HB23 AIB 6 HB23 AIB 6 1.951 -8.663 2.161 44 H LEU 7 HN LEU 7 2.586 -4.571 0.541 45 HA LEU 7 HA LEU 7 0.468 -3.918 2.287 46 HB2 LEU 7 HB2 LEU 7 1.481 -2.383 -0.101 47 HB3 LEU 7 HB1 LEU 7 0.465 -1.740 1.170 48 HG LEU 7 HG LEU 7 3.295 -2.728 1.537 49 HD11 LEU 7 HD11 LEU 7 3.844 -0.373 1.859 50 HD12 LEU 7 HD12 LEU 7 2.175 0.068 1.499 51 HD13 LEU 7 HD13 LEU 7 3.183 -0.659 0.248 52 HD21 LEU 7 HD21 LEU 7 1.940 -3.038 3.540 53 HD22 LEU 7 HD22 LEU 7 1.411 -1.357 3.452 54 HD23 LEU 7 HD23 LEU 7 3.104 -1.733 3.767 55 H LYS 8 HN LYS 8 0.577 -4.576 -1.183 56 HA LYS 8 HA LYS 8 -2.090 -3.886 -1.728 57 HB2 LYS 8 HB2 LYS 8 -0.137 -5.701 -3.109 58 HB3 LYS 8 HB1 LYS 8 -1.785 -5.524 -3.692 59 HG2 LYS 8 HG2 LYS 8 -1.421 -3.104 -3.933 60 HG3 LYS 8 HG1 LYS 8 0.246 -3.318 -3.402 61 HD2 LYS 8 HD2 LYS 8 0.116 -3.181 -5.832 62 HD3 LYS 8 HD1 LYS 8 0.671 -4.776 -5.320 63 HE2 LYS 8 HE2 LYS 8 -0.978 -4.893 -7.151 64 HE3 LYS 8 HE1 LYS 8 -1.540 -5.700 -5.689 65 HZ1 LYS 8 HZ1 LYS 8 -3.283 -4.366 -6.680 66 HZ2 LYS 8 HZ2 LYS 8 -2.326 -2.978 -6.578 67 HZ3 LYS 8 HZ3 LYS 8 -2.861 -3.740 -5.169 68 H AIB 9 HN AIB 9 -0.633 -7.044 -1.028 69 HB11 AIB 9 HB11 AIB 9 -0.493 -8.946 0.596 70 HB12 AIB 9 HB12 AIB 9 -0.724 -9.539 -1.048 71 HB13 AIB 9 HB13 AIB 9 -1.697 -10.191 0.269 72 HB21 AIB 9 HB21 AIB 9 -4.043 -8.058 -1.525 73 HB22 AIB 9 HB22 AIB 9 -3.709 -9.691 -0.950 74 HB23 AIB 9 HB23 AIB 9 -2.769 -9.016 -2.280 75 H ARG 10 HN ARG 10 -1.396 -6.732 1.462 76 HA ARG 10 HA ARG 10 -2.928 -7.606 3.653 77 HB2 ARG 10 HB2 ARG 10 -0.742 -6.523 3.849 78 HB3 ARG 10 HB1 ARG 10 -1.415 -5.029 3.223 79 HG2 ARG 10 HG2 ARG 10 -2.767 -4.753 5.178 80 HG3 ARG 10 HG1 ARG 10 -2.270 -6.335 5.790 81 HD2 ARG 10 HD2 ARG 10 0.019 -5.595 5.965 82 HD3 ARG 10 HD1 ARG 10 -0.392 -4.046 5.232 83 HE ARG 10 HE ARG 10 -1.974 -4.075 7.393 84 HH11 ARG 10 HH11 ARG 10 1.868 -4.212 8.561 85 HH12 ARG 10 HH12 ARG 10 1.427 -4.787 6.985 86 HH21 ARG 10 HH21 ARG 10 -1.395 -3.309 9.474 87 HH22 ARG 10 HH22 ARG 10 0.266 -3.371 9.973 88 H TYR 11 HN TYR 11 -3.328 -4.921 1.404 89 HA TYR 11 HA TYR 11 -5.798 -4.168 2.816 90 HB2 TYR 11 HB2 TYR 11 -4.028 -2.538 0.986 91 HB3 TYR 11 HB1 TYR 11 -5.513 -1.963 1.736 92 HD1 TYR 11 HD1 TYR 11 -5.609 -2.071 4.325 93 HD2 TYR 11 HD2 TYR 11 -1.996 -2.248 2.088 94 HE1 TYR 11 HE1 TYR 11 -4.351 -1.379 6.317 95 HE2 TYR 11 HE2 TYR 11 -0.727 -1.556 4.076 96 HH TYR 11 HH TYR 11 -1.080 -0.387 6.195 97 H AIB 12 HN AIB 12 -5.984 -6.335 1.194 98 HB11 AIB 12 HB11 AIB 12 -6.441 -8.198 -0.326 99 HB12 AIB 12 HB12 AIB 12 -7.943 -8.069 -1.243 100 HB13 AIB 12 HB13 AIB 12 -7.957 -7.851 0.507 101 HB21 AIB 12 HB21 AIB 12 -5.458 -6.524 -1.834 102 HB22 AIB 12 HB22 AIB 12 -6.259 -4.972 -2.076 103 HB23 AIB 12 HB23 AIB 12 -6.996 -6.449 -2.694 104 H GLY 13 HN GLY 13 -8.610 -5.365 1.342 105 HA2 GLY 13 HA2 GLY 13 -10.976 -4.906 -0.264 106 HA3 GLY 13 HA1 GLY 13 -10.845 -4.718 1.476 107 H CYS 14 HN CYS 14 -8.337 -3.135 -0.100 108 HA CYS 14 HA CYS 14 -9.806 -0.605 -0.274 109 HB2 CYS 14 HB2 CYS 14 -7.199 -0.903 1.219 110 HB3 CYS 14 HB1 CYS 14 -8.187 0.544 1.098 111 H GLU 15 HN GLU 15 -8.027 1.135 -1.005 112 HA GLU 15 HA GLU 15 -6.439 -0.102 -3.152 113 HB2 GLU 15 HB2 GLU 15 -7.598 2.681 -2.954 114 HB3 GLU 15 HB1 GLU 15 -6.534 2.136 -4.244 115 HG2 GLU 15 HG2 GLU 15 -8.191 0.440 -4.873 116 HG3 GLU 15 HG1 GLU 15 -9.259 1.032 -3.601 117 HN1 MVA 16 HM1 MEV 16 -5.370 -1.279 -2.076 118 HN2 MVA 16 HM2 MEV 16 -3.619 -1.451 -2.088 119 HN3 MVA 16 HM3 MEV 16 -4.457 -0.867 -3.524 120 HA MVA 16 HA MEV 16 -3.181 1.773 -0.700 121 HB MVA 16 HB MEV 16 -2.881 -0.856 -0.355 122 HG11 MVA 16 HG11 MEV 16 -0.814 -1.704 -1.229 123 HG12 MVA 16 HG12 MEV 16 -0.470 -0.175 -2.032 124 HG13 MVA 16 HG13 MEV 16 -1.807 -1.178 -2.588 125 HG21 MVA 16 HG21 MEV 16 -0.823 -0.363 0.877 126 HG22 MVA 16 HG22 MEV 16 -2.053 0.872 1.133 127 HG23 MVA 16 HG23 MEV 16 -0.699 1.183 0.045 128 H ARG 17 HN ARG 17 -1.487 2.986 -1.262 129 HA ARG 17 HA ARG 17 -0.349 2.678 -3.963 130 HB2 ARG 17 HB2 ARG 17 -0.781 5.297 -2.521 131 HB3 ARG 17 HB1 ARG 17 -0.146 5.086 -4.140 132 HG2 ARG 17 HG2 ARG 17 -2.295 4.290 -4.913 133 HG3 ARG 17 HG1 ARG 17 -2.945 4.405 -3.273 134 HD2 ARG 17 HD2 ARG 17 -2.381 6.844 -3.314 135 HD3 ARG 17 HD1 ARG 17 -1.969 6.664 -5.017 136 HE ARG 17 HE ARG 17 -4.456 5.732 -5.014 137 HH11 ARG 17 HH11 ARG 17 -4.562 9.488 -3.590 138 HH12 ARG 17 HH12 ARG 17 -3.085 8.576 -3.495 139 HH21 ARG 17 HH21 ARG 17 -6.398 6.936 -5.135 140 HH22 ARG 17 HH22 ARG 17 -6.439 8.559 -4.517 141 H CYS 18 HN CYS 18 1.695 1.960 -3.610 142 HA CYS 18 HA CYS 18 3.007 2.673 -1.125 143 HB2 CYS 18 HB2 CYS 18 4.801 1.122 -1.894 144 HB3 CYS 18 HB1 CYS 18 3.213 0.372 -1.790 145 H ASP 19 HN ASP 19 4.325 4.299 -0.887 146 HA ASP 19 HA ASP 19 5.722 5.402 -3.225 147 HB2 ASP 19 HB2 ASP 19 3.684 6.756 -2.523 148 HB3 ASP 19 HB1 ASP 19 4.528 7.084 -1.014 149 HA DPR 20 HA DPR 20 9.416 5.582 -0.739 150 HB2 DPR 20 HB2 DPR 20 10.810 3.998 -1.599 151 HB3 DPR 20 HB1 DPR 20 9.665 2.688 -1.297 152 HG2 DPR 20 HG2 DPR 20 9.770 4.618 -3.581 153 HG3 DPR 20 HG1 DPR 20 9.450 2.873 -3.601 154 HD2 DPR 20 HD2 DPR 20 7.470 4.679 -3.787 155 HD3 DPR 20 HD1 DPR 20 7.250 3.145 -2.922 156 HA PRO 21 HA PRO 21 8.870 3.262 3.072 157 HB2 PRO 21 HB2 PRO 21 9.261 5.293 4.756 158 HB3 PRO 21 HB1 PRO 21 10.596 4.630 3.807 159 HG2 PRO 21 HG2 PRO 21 8.955 7.081 3.297 160 HG3 PRO 21 HG1 PRO 21 10.714 6.879 3.199 161 HD2 PRO 21 HD2 PRO 21 9.056 6.798 1.022 162 HD3 PRO 21 HD1 PRO 21 10.609 5.944 1.105 163 H ARG 22 HN ARG 22 6.852 5.583 1.696 164 HA ARG 22 HA ARG 22 4.933 5.439 3.936 165 HB2 ARG 22 HB2 ARG 22 5.791 7.707 3.526 166 HB3 ARG 22 HB1 ARG 22 5.318 7.593 1.841 167 HG2 ARG 22 HG2 ARG 22 2.981 7.531 2.464 168 HG3 ARG 22 HG1 ARG 22 3.417 7.554 4.175 169 HD2 ARG 22 HD2 ARG 22 4.145 9.719 2.210 170 HD3 ARG 22 HD1 ARG 22 2.721 9.771 3.247 171 HE ARG 22 HE ARG 22 4.743 9.383 5.003 172 HH11 ARG 22 HH11 ARG 22 4.272 11.726 2.440 173 HH12 ARG 22 HH12 ARG 22 5.131 12.983 3.271 174 HH21 ARG 22 HH21 ARG 22 6.031 12.593 5.342 175 HH22 ARG 22 HH22 ARG 22 5.854 11.036 6.093 176 H TYR 23 HN TYR 23 2.673 5.224 3.326 177 HA TYR 23 HA TYR 23 2.122 4.741 0.521 178 HB2 TYR 23 HB2 TYR 23 1.097 2.568 0.885 179 HB3 TYR 23 HB1 TYR 23 2.786 2.533 1.359 180 HD1 TYR 23 HD1 TYR 23 -0.672 2.348 2.527 181 HD2 TYR 23 HD2 TYR 23 3.417 2.278 3.694 182 HE1 TYR 23 HE1 TYR 23 -1.317 1.417 4.706 183 HE2 TYR 23 HE2 TYR 23 2.784 1.352 5.882 184 HH TYR 23 HH TYR 23 0.850 1.230 7.338 185 H GLU 24 HN GLU 24 -0.026 4.859 -0.039 186 HA GLU 24 HA GLU 24 -1.810 6.014 1.986 187 HB2 GLU 24 HB2 GLU 24 -1.943 5.973 -1.029 188 HB3 GLU 24 HB1 GLU 24 -3.253 6.549 -0.018 189 HG2 GLU 24 HG2 GLU 24 -1.654 8.228 0.929 190 HG3 GLU 24 HG1 GLU 24 -0.516 7.734 -0.328 191 HN1 MVA 25 HM1 MEV 25 -3.935 6.361 2.098 192 HN2 MVA 25 HM2 MEV 25 -3.244 5.483 3.462 193 HN3 MVA 25 HM3 MEV 25 -4.967 5.353 3.107 194 HA MVA 25 HA MEV 25 -4.592 2.710 0.760 195 HB MVA 25 HB MEV 25 -3.430 1.593 2.506 196 HG11 MVA 25 HG11 MEV 25 -4.043 1.794 4.879 197 HG12 MVA 25 HG12 MEV 25 -5.090 3.153 4.472 198 HG13 MVA 25 HG13 MEV 25 -3.348 3.277 4.222 199 HG21 MVA 25 HG21 MEV 25 -6.403 1.462 2.948 200 HG22 MVA 25 HG22 MEV 25 -5.240 0.253 3.494 201 HG23 MVA 25 HG23 MEV 25 -5.466 0.544 1.768 202 H HIS 26 HN HIS 26 -6.351 3.459 -0.100 203 HA HIS 26 HA HIS 26 -8.286 4.866 1.594 204 HB2 HIS 26 HB2 HIS 26 -8.111 4.681 -1.417 205 HB3 HIS 26 HB1 HIS 26 -9.316 5.602 -0.528 206 HD1 HIS 26 HD1 HIS 26 -8.590 7.862 0.472 207 HD2 HIS 26 HD2 HIS 26 -5.528 5.817 -1.469 208 HE1 HIS 26 HE1 HIS 26 -6.712 9.515 0.238 209 HE2 HIS 26 HE2 HIS 26 -4.856 8.266 -0.921 210 H CYS 27 HN CYS 27 -9.778 3.634 2.445 211 HA CYS 27 HA CYS 27 -10.668 1.226 1.049 212 HB2 CYS 27 HB2 CYS 27 -11.214 2.127 3.884 213 HB3 CYS 27 HB1 CYS 27 -11.588 0.550 3.198 214 HN1 NH2 28 HN1 NH2 28 -11.974 2.305 -0.483 215 HN2 NH2 28 HN2 NH2 28 -13.487 3.012 -0.046 Start of MODEL 4 1 H1 ASN 1 HT1 ASN 1 9.187 -10.830 -3.358 2 H2 ASN 1 HT2 ASN 1 8.554 -12.144 -2.508 3 H3 ASN 1 HT3 ASN 1 9.663 -11.110 -1.762 4 HA ASN 1 HA ASN 1 6.939 -10.366 -2.654 5 HB2 ASN 1 HB2 ASN 1 7.186 -11.880 -0.602 6 HB3 ASN 1 HB1 ASN 1 8.007 -10.531 0.172 7 HD21 ASN 1 HD21 ASN 1 5.557 -11.854 0.926 8 HD22 ASN 1 HD22 ASN 1 4.325 -10.641 0.935 9 H ASP 2 HN ASP 2 6.567 -8.200 -2.743 10 HA ASP 2 HA ASP 2 8.812 -6.435 -2.020 11 HB2 ASP 2 HB2 ASP 2 6.628 -5.903 -4.043 12 HB3 ASP 2 HB1 ASP 2 8.022 -4.888 -3.721 13 H AIB 3 HN AIB 3 8.178 -4.231 -1.343 14 HB11 AIB 3 HB11 AIB 3 7.236 -1.867 -0.939 15 HB12 AIB 3 HB12 AIB 3 8.195 -2.461 0.414 16 HB13 AIB 3 HB13 AIB 3 6.619 -1.728 0.706 17 HB21 AIB 3 HB21 AIB 3 5.865 -3.716 1.928 18 HB22 AIB 3 HB22 AIB 3 7.487 -4.367 1.693 19 HB23 AIB 3 HB23 AIB 3 6.081 -5.318 1.220 20 H CYS 4 HN CYS 4 5.862 -3.049 -2.453 21 HA CYS 4 HA CYS 4 3.235 -2.183 -2.045 22 HB2 CYS 4 HB2 CYS 4 4.527 -3.232 -4.567 23 HB3 CYS 4 HB1 CYS 4 3.008 -2.351 -4.501 24 H LYS 5 HN LYS 5 4.512 -5.340 -2.937 25 HA LYS 5 HA LYS 5 2.059 -6.583 -3.552 26 HB2 LYS 5 HB2 LYS 5 4.553 -7.871 -2.419 27 HB3 LYS 5 HB1 LYS 5 3.270 -8.686 -3.302 28 HG2 LYS 5 HG2 LYS 5 4.855 -6.478 -4.561 29 HG3 LYS 5 HG1 LYS 5 5.455 -8.136 -4.531 30 HD2 LYS 5 HD2 LYS 5 3.507 -8.901 -5.738 31 HD3 LYS 5 HD1 LYS 5 2.796 -7.288 -5.672 32 HE2 LYS 5 HE2 LYS 5 3.833 -7.786 -7.856 33 HE3 LYS 5 HE1 LYS 5 4.569 -6.401 -7.052 34 HZ1 LYS 5 HZ1 LYS 5 5.678 -9.156 -7.031 35 HZ2 LYS 5 HZ2 LYS 5 6.411 -7.776 -6.376 36 HZ3 LYS 5 HZ3 LYS 5 6.201 -7.913 -8.050 37 H AIB 6 HN AIB 6 4.009 -6.521 -0.610 38 HB11 AIB 6 HB11 AIB 6 4.160 -5.777 1.802 39 HB12 AIB 6 HB12 AIB 6 4.691 -7.444 1.580 40 HB13 AIB 6 HB13 AIB 6 3.581 -7.039 2.890 41 HB21 AIB 6 HB21 AIB 6 3.136 -9.152 0.909 42 HB22 AIB 6 HB22 AIB 6 1.491 -8.749 0.425 43 HB23 AIB 6 HB23 AIB 6 1.947 -8.688 2.127 44 H LEU 7 HN LEU 7 2.441 -4.595 0.441 45 HA LEU 7 HA LEU 7 0.512 -3.911 2.383 46 HB2 LEU 7 HB2 LEU 7 1.363 -2.465 -0.118 47 HB3 LEU 7 HB1 LEU 7 0.311 -1.780 1.101 48 HG LEU 7 HG LEU 7 3.151 -2.665 1.615 49 HD11 LEU 7 HD11 LEU 7 3.134 -0.779 0.095 50 HD12 LEU 7 HD12 LEU 7 3.650 -0.256 1.696 51 HD13 LEU 7 HD13 LEU 7 2.012 0.085 1.143 52 HD21 LEU 7 HD21 LEU 7 2.881 -1.401 3.697 53 HD22 LEU 7 HD22 LEU 7 1.731 -2.733 3.593 54 HD23 LEU 7 HD23 LEU 7 1.198 -1.082 3.280 55 H LYS 8 HN LYS 8 0.237 -4.500 -1.114 56 HA LYS 8 HA LYS 8 -2.509 -3.850 -1.226 57 HB2 LYS 8 HB2 LYS 8 -0.787 -5.495 -3.073 58 HB3 LYS 8 HB1 LYS 8 -2.470 -5.111 -3.411 59 HG2 LYS 8 HG2 LYS 8 -1.877 -2.695 -3.260 60 HG3 LYS 8 HG1 LYS 8 -0.186 -3.173 -3.118 61 HD2 LYS 8 HD2 LYS 8 -0.325 -4.290 -5.290 62 HD3 LYS 8 HD1 LYS 8 -2.015 -3.803 -5.432 63 HE2 LYS 8 HE2 LYS 8 -1.298 -1.436 -5.297 64 HE3 LYS 8 HE1 LYS 8 0.380 -1.976 -5.277 65 HZ1 LYS 8 HZ1 LYS 8 -0.312 -1.319 -7.490 66 HZ2 LYS 8 HZ2 LYS 8 -1.563 -2.454 -7.468 67 HZ3 LYS 8 HZ3 LYS 8 0.046 -2.972 -7.452 68 H AIB 9 HN AIB 9 -0.807 -6.928 -0.861 69 HB11 AIB 9 HB11 AIB 9 -0.694 -9.398 -0.991 70 HB12 AIB 9 HB12 AIB 9 -1.575 -10.223 0.295 71 HB13 AIB 9 HB13 AIB 9 -0.454 -8.921 0.689 72 HB21 AIB 9 HB21 AIB 9 -2.861 -9.064 -2.057 73 HB22 AIB 9 HB22 AIB 9 -4.128 -8.143 -1.251 74 HB23 AIB 9 HB23 AIB 9 -3.727 -9.766 -0.690 75 H ARG 10 HN ARG 10 -1.351 -6.893 1.738 76 HA ARG 10 HA ARG 10 -2.812 -7.900 3.923 77 HB2 ARG 10 HB2 ARG 10 -0.677 -6.824 4.245 78 HB3 ARG 10 HB1 ARG 10 -1.277 -5.325 3.553 79 HG2 ARG 10 HG2 ARG 10 -2.840 -5.119 5.444 80 HG3 ARG 10 HG1 ARG 10 -2.122 -6.568 6.154 81 HD2 ARG 10 HD2 ARG 10 0.002 -5.496 6.364 82 HD3 ARG 10 HD1 ARG 10 -0.546 -4.107 5.428 83 HE ARG 10 HE ARG 10 -2.150 -4.478 7.745 84 HH11 ARG 10 HH11 ARG 10 1.153 -2.196 8.013 85 HH12 ARG 10 HH12 ARG 10 0.990 -3.329 6.709 86 HH21 ARG 10 HH21 ARG 10 -1.936 -2.991 9.479 87 HH22 ARG 10 HH22 ARG 10 -0.508 -2.011 9.595 88 H TYR 11 HN TYR 11 -3.222 -5.014 1.942 89 HA TYR 11 HA TYR 11 -5.620 -4.290 3.426 90 HB2 TYR 11 HB2 TYR 11 -3.996 -2.867 1.321 91 HB3 TYR 11 HB1 TYR 11 -5.529 -2.251 1.926 92 HD1 TYR 11 HD1 TYR 11 -5.730 -1.787 4.429 93 HD2 TYR 11 HD2 TYR 11 -2.015 -2.483 2.482 94 HE1 TYR 11 HE1 TYR 11 -4.552 -0.716 6.300 95 HE2 TYR 11 HE2 TYR 11 -0.826 -1.421 4.350 96 HH TYR 11 HH TYR 11 -1.202 0.098 6.140 97 H AIB 12 HN AIB 12 -6.122 -6.554 2.308 98 HB11 AIB 12 HB11 AIB 12 -6.993 -8.653 1.359 99 HB12 AIB 12 HB12 AIB 12 -8.582 -8.501 0.611 100 HB13 AIB 12 HB13 AIB 12 -8.311 -7.876 2.236 101 HB21 AIB 12 HB21 AIB 12 -5.956 -7.575 -0.536 102 HB22 AIB 12 HB22 AIB 12 -6.537 -6.019 -1.126 103 HB23 AIB 12 HB23 AIB 12 -7.534 -7.463 -1.309 104 H GLY 13 HN GLY 13 -8.496 -5.747 -1.451 105 HA2 GLY 13 HA2 GLY 13 -10.667 -4.987 -1.904 106 HA3 GLY 13 HA1 GLY 13 -10.980 -4.914 -0.178 107 H CYS 14 HN CYS 14 -8.159 -3.457 -0.242 108 HA CYS 14 HA CYS 14 -9.356 -0.813 -0.752 109 HB2 CYS 14 HB2 CYS 14 -7.129 -1.430 1.184 110 HB3 CYS 14 HB1 CYS 14 -8.034 0.070 1.040 111 H GLU 15 HN GLU 15 -8.017 0.792 -1.626 112 HA GLU 15 HA GLU 15 -5.913 -0.232 -3.356 113 HB2 GLU 15 HB2 GLU 15 -7.071 2.555 -3.144 114 HB3 GLU 15 HB1 GLU 15 -6.024 1.959 -4.425 115 HG2 GLU 15 HG2 GLU 15 -7.734 0.459 -5.192 116 HG3 GLU 15 HG1 GLU 15 -8.773 0.894 -3.837 117 HN1 MVA 16 HM1 MEV 16 -4.267 0.610 -4.393 118 HN2 MVA 16 HM2 MEV 16 -3.814 -0.830 -3.482 119 HN3 MVA 16 HM3 MEV 16 -2.587 0.358 -3.924 120 HA MVA 16 HA MEV 16 -3.070 2.309 -0.997 121 HB MVA 16 HB MEV 16 -3.072 0.217 0.179 122 HG11 MVA 16 HG11 MEV 16 -2.731 -1.357 -1.615 123 HG12 MVA 16 HG12 MEV 16 -1.521 -1.597 -0.354 124 HG13 MVA 16 HG13 MEV 16 -1.084 -0.769 -1.851 125 HG21 MVA 16 HG21 MEV 16 -0.255 1.131 -0.351 126 HG22 MVA 16 HG22 MEV 16 -0.818 0.250 1.071 127 HG23 MVA 16 HG23 MEV 16 -1.393 1.889 0.762 128 H ARG 17 HN ARG 17 -1.982 3.794 -1.896 129 HA ARG 17 HA ARG 17 -0.172 3.380 -4.089 130 HB2 ARG 17 HB2 ARG 17 -0.501 5.843 -2.369 131 HB3 ARG 17 HB1 ARG 17 0.194 5.760 -3.978 132 HG2 ARG 17 HG2 ARG 17 -1.945 5.235 -4.933 133 HG3 ARG 17 HG1 ARG 17 -2.675 5.147 -3.330 134 HD2 ARG 17 HD2 ARG 17 -2.138 7.528 -2.981 135 HD3 ARG 17 HD1 ARG 17 -1.476 7.602 -4.615 136 HE ARG 17 HE ARG 17 -3.837 6.884 -5.299 137 HH11 ARG 17 HH11 ARG 17 -4.649 9.705 -2.557 138 HH12 ARG 17 HH12 ARG 17 -3.114 8.889 -2.512 139 HH21 ARG 17 HH21 ARG 17 -5.856 7.955 -5.344 140 HH22 ARG 17 HH22 ARG 17 -6.206 9.180 -4.163 141 H CYS 18 HN CYS 18 1.655 2.325 -3.632 142 HA CYS 18 HA CYS 18 2.856 2.585 -1.009 143 HB2 CYS 18 HB2 CYS 18 4.378 0.767 -1.890 144 HB3 CYS 18 HB1 CYS 18 2.669 0.354 -1.797 145 H ASP 19 HN ASP 19 4.584 3.719 -0.538 146 HA ASP 19 HA ASP 19 6.500 4.423 -2.646 147 HB2 ASP 19 HB2 ASP 19 5.365 6.278 -0.545 148 HB3 ASP 19 HB1 ASP 19 6.872 6.610 -1.389 149 HA DPR 20 HA DPR 20 9.630 2.912 0.131 150 HB2 DPR 20 HB2 DPR 20 10.141 0.790 -0.516 151 HB3 DPR 20 HB1 DPR 20 8.496 0.205 -0.243 152 HG2 DPR 20 HG2 DPR 20 9.622 1.656 -2.607 153 HG3 DPR 20 HG1 DPR 20 8.511 0.273 -2.566 154 HD2 DPR 20 HD2 DPR 20 7.639 2.778 -3.007 155 HD3 DPR 20 HD1 DPR 20 6.674 1.604 -2.091 156 HA PRO 21 HA PRO 21 8.006 1.567 4.086 157 HB2 PRO 21 HB2 PRO 21 8.790 3.716 5.510 158 HB3 PRO 21 HB1 PRO 21 9.934 2.489 4.956 159 HG2 PRO 21 HG2 PRO 21 9.297 5.155 3.755 160 HG3 PRO 21 HG1 PRO 21 10.880 4.410 4.034 161 HD2 PRO 21 HD2 PRO 21 9.671 4.382 1.614 162 HD3 PRO 21 HD1 PRO 21 10.716 3.061 2.170 163 H ARG 22 HN ARG 22 7.058 4.321 2.270 164 HA ARG 22 HA ARG 22 4.894 4.946 4.163 165 HB2 ARG 22 HB2 ARG 22 5.972 6.492 1.799 166 HB3 ARG 22 HB1 ARG 22 4.589 6.990 2.764 167 HG2 ARG 22 HG2 ARG 22 5.990 7.215 4.719 168 HG3 ARG 22 HG1 ARG 22 7.383 6.610 3.818 169 HD2 ARG 22 HD2 ARG 22 5.837 9.122 3.178 170 HD3 ARG 22 HD1 ARG 22 7.386 9.069 4.018 171 HE ARG 22 HE ARG 22 8.291 8.056 1.920 172 HH11 ARG 22 HH11 ARG 22 5.406 10.044 1.814 173 HH12 ARG 22 HH12 ARG 22 5.660 10.538 0.173 174 HH21 ARG 22 HH21 ARG 22 7.492 9.782 -0.994 175 HH22 ARG 22 HH22 ARG 22 8.620 8.703 -0.234 176 H TYR 23 HN TYR 23 2.740 5.167 3.351 177 HA TYR 23 HA TYR 23 2.136 4.443 0.652 178 HB2 TYR 23 HB2 TYR 23 0.822 2.440 1.166 179 HB3 TYR 23 HB1 TYR 23 2.518 2.214 1.561 180 HD1 TYR 23 HD1 TYR 23 -0.867 2.352 2.847 181 HD2 TYR 23 HD2 TYR 23 3.244 2.181 3.927 182 HE1 TYR 23 HE1 TYR 23 -1.498 1.673 5.121 183 HE2 TYR 23 HE2 TYR 23 2.625 1.502 6.203 184 HH TYR 23 HH TYR 23 0.741 1.652 7.714 185 H GLU 24 HN GLU 24 -0.042 4.730 0.114 186 HA GLU 24 HA GLU 24 -1.674 6.051 2.180 187 HB2 GLU 24 HB2 GLU 24 -1.669 6.542 -0.802 188 HB3 GLU 24 HB1 GLU 24 -2.734 7.320 0.354 189 HG2 GLU 24 HG2 GLU 24 -0.835 8.386 1.422 190 HG3 GLU 24 HG1 GLU 24 0.263 7.571 0.309 191 HN1 MVA 25 HM1 MEV 25 -2.737 4.976 3.688 192 HN2 MVA 25 HM2 MEV 25 -4.496 5.076 3.611 193 HN3 MVA 25 HM3 MEV 25 -3.506 6.287 2.799 194 HA MVA 25 HA MEV 25 -4.461 2.969 0.631 195 HB MVA 25 HB MEV 25 -3.325 1.800 2.483 196 HG11 MVA 25 HG11 MEV 25 -3.855 3.156 4.390 197 HG12 MVA 25 HG12 MEV 25 -4.513 1.538 4.640 198 HG13 MVA 25 HG13 MEV 25 -5.581 2.862 4.170 199 HG21 MVA 25 HG21 MEV 25 -6.275 1.258 2.228 200 HG22 MVA 25 HG22 MEV 25 -5.060 0.111 2.795 201 HG23 MVA 25 HG23 MEV 25 -5.013 0.696 1.133 202 H HIS 26 HN HIS 26 -6.412 3.053 -0.036 203 HA HIS 26 HA HIS 26 -8.434 4.432 1.601 204 HB2 HIS 26 HB2 HIS 26 -8.034 4.547 -1.388 205 HB3 HIS 26 HB1 HIS 26 -9.473 5.136 -0.576 206 HD1 HIS 26 HD1 HIS 26 -9.348 7.416 0.541 207 HD2 HIS 26 HD2 HIS 26 -5.690 6.106 -0.945 208 HE1 HIS 26 HE1 HIS 26 -7.813 9.400 0.680 209 HE2 HIS 26 HE2 HIS 26 -5.651 8.626 -0.350 210 H CYS 27 HN CYS 27 -9.993 3.105 2.187 211 HA CYS 27 HA CYS 27 -10.461 0.666 0.655 212 HB2 CYS 27 HB2 CYS 27 -11.445 1.532 3.377 213 HB3 CYS 27 HB1 CYS 27 -11.834 -0.004 2.615 214 HN1 NH2 28 HN1 NH2 28 -11.466 1.808 -1.085 215 HN2 NH2 28 HN2 NH2 28 -13.119 2.288 -0.964 Start of MODEL 5 1 H1 ASN 1 HT1 ASN 1 11.001 -9.680 -3.717 2 H2 ASN 1 HT2 ASN 1 11.168 -10.704 -2.385 3 H3 ASN 1 HT3 ASN 1 11.663 -9.092 -2.280 4 HA ASN 1 HA ASN 1 8.881 -9.994 -2.695 5 HB2 ASN 1 HB2 ASN 1 9.796 -10.503 -0.420 6 HB3 ASN 1 HB1 ASN 1 10.165 -8.794 -0.223 7 HD21 ASN 1 HD21 ASN 1 8.827 -8.681 1.580 8 HD22 ASN 1 HD22 ASN 1 7.100 -8.678 1.446 9 H ASP 2 HN ASP 2 7.348 -8.213 -2.411 10 HA ASP 2 HA ASP 2 8.499 -5.603 -3.142 11 HB2 ASP 2 HB2 ASP 2 5.987 -6.919 -4.190 12 HB3 ASP 2 HB1 ASP 2 6.352 -5.217 -4.421 13 H AIB 3 HN AIB 3 8.108 -4.123 -1.647 14 HB11 AIB 3 HB11 AIB 3 6.767 -1.997 0.903 15 HB12 AIB 3 HB12 AIB 3 7.275 -1.870 -0.780 16 HB13 AIB 3 HB13 AIB 3 8.299 -2.703 0.389 17 HB21 AIB 3 HB21 AIB 3 6.122 -5.595 0.860 18 HB22 AIB 3 HB22 AIB 3 6.095 -4.130 1.841 19 HB23 AIB 3 HB23 AIB 3 7.635 -4.822 1.334 20 H CYS 4 HN CYS 4 5.755 -2.855 -2.413 21 HA CYS 4 HA CYS 4 3.191 -1.964 -1.728 22 HB2 CYS 4 HB2 CYS 4 3.973 -2.860 -4.495 23 HB3 CYS 4 HB1 CYS 4 2.860 -1.577 -4.043 24 H LYS 5 HN LYS 5 4.325 -5.020 -3.024 25 HA LYS 5 HA LYS 5 1.803 -6.156 -3.592 26 HB2 LYS 5 HB2 LYS 5 3.878 -7.036 -4.542 27 HB3 LYS 5 HB1 LYS 5 4.443 -7.482 -2.941 28 HG2 LYS 5 HG2 LYS 5 2.494 -9.042 -2.775 29 HG3 LYS 5 HG1 LYS 5 2.150 -8.689 -4.470 30 HD2 LYS 5 HD2 LYS 5 4.768 -9.783 -3.443 31 HD3 LYS 5 HD1 LYS 5 3.476 -10.764 -4.135 32 HE2 LYS 5 HE2 LYS 5 4.835 -8.500 -5.592 33 HE3 LYS 5 HE1 LYS 5 5.333 -10.185 -5.716 34 HZ1 LYS 5 HZ1 LYS 5 2.627 -9.178 -6.399 35 HZ2 LYS 5 HZ2 LYS 5 3.203 -10.752 -6.621 36 HZ3 LYS 5 HZ3 LYS 5 3.854 -9.480 -7.524 37 H AIB 6 HN AIB 6 3.967 -6.405 -0.799 38 HB11 AIB 6 HB11 AIB 6 4.195 -5.883 1.684 39 HB12 AIB 6 HB12 AIB 6 4.790 -7.492 1.265 40 HB13 AIB 6 HB13 AIB 6 3.728 -7.279 2.658 41 HB21 AIB 6 HB21 AIB 6 2.164 -8.922 1.813 42 HB22 AIB 6 HB22 AIB 6 3.275 -9.198 0.472 43 HB23 AIB 6 HB23 AIB 6 1.581 -8.832 0.151 44 H LEU 7 HN LEU 7 2.445 -4.640 0.633 45 HA LEU 7 HA LEU 7 0.475 -4.246 2.608 46 HB2 LEU 7 HB2 LEU 7 1.198 -2.510 0.249 47 HB3 LEU 7 HB1 LEU 7 0.212 -2.000 1.601 48 HG LEU 7 HG LEU 7 3.114 -2.820 1.788 49 HD11 LEU 7 HD11 LEU 7 1.833 -0.095 1.902 50 HD12 LEU 7 HD12 LEU 7 2.824 -0.718 0.584 51 HD13 LEU 7 HD13 LEU 7 3.539 -0.448 2.174 52 HD21 LEU 7 HD21 LEU 7 1.235 -1.644 3.834 53 HD22 LEU 7 HD22 LEU 7 2.965 -1.898 4.061 54 HD23 LEU 7 HD23 LEU 7 1.893 -3.281 3.842 55 H LYS 8 HN LYS 8 0.260 -4.530 -0.909 56 HA LYS 8 HA LYS 8 -2.476 -4.058 -1.177 57 HB2 LYS 8 HB2 LYS 8 -0.855 -4.187 -3.054 58 HB3 LYS 8 HB1 LYS 8 -0.763 -5.927 -2.824 59 HG2 LYS 8 HG2 LYS 8 -3.129 -6.133 -3.369 60 HG3 LYS 8 HG1 LYS 8 -3.232 -4.385 -3.589 61 HD2 LYS 8 HD2 LYS 8 -1.528 -4.555 -5.379 62 HD3 LYS 8 HD1 LYS 8 -1.556 -6.310 -5.196 63 HE2 LYS 8 HE2 LYS 8 -2.955 -5.569 -7.066 64 HE3 LYS 8 HE1 LYS 8 -3.907 -6.360 -5.811 65 HZ1 LYS 8 HZ1 LYS 8 -4.647 -4.241 -5.024 66 HZ2 LYS 8 HZ2 LYS 8 -4.930 -4.307 -6.688 67 HZ3 LYS 8 HZ3 LYS 8 -3.624 -3.418 -6.087 68 H AIB 9 HN AIB 9 -0.717 -7.098 -0.728 69 HB11 AIB 9 HB11 AIB 9 -0.319 -9.072 0.832 70 HB12 AIB 9 HB12 AIB 9 -0.523 -9.555 -0.852 71 HB13 AIB 9 HB13 AIB 9 -1.394 -10.408 0.424 72 HB21 AIB 9 HB21 AIB 9 -3.533 -10.014 -0.631 73 HB22 AIB 9 HB22 AIB 9 -2.654 -9.263 -1.963 74 HB23 AIB 9 HB23 AIB 9 -3.974 -8.397 -1.178 75 H ARG 10 HN ARG 10 -1.506 -6.844 1.793 76 HA ARG 10 HA ARG 10 -2.981 -7.990 3.944 77 HB2 ARG 10 HB2 ARG 10 -0.926 -6.697 4.328 78 HB3 ARG 10 HB1 ARG 10 -1.723 -5.247 3.722 79 HG2 ARG 10 HG2 ARG 10 -3.455 -5.725 5.583 80 HG3 ARG 10 HG1 ARG 10 -2.184 -6.729 6.277 81 HD2 ARG 10 HD2 ARG 10 -1.872 -3.821 5.548 82 HD3 ARG 10 HD1 ARG 10 -2.253 -4.409 7.162 83 HE ARG 10 HE ARG 10 0.201 -5.384 5.903 84 HH11 ARG 10 HH11 ARG 10 0.095 -2.989 9.128 85 HH12 ARG 10 HH12 ARG 10 -1.363 -3.312 8.244 86 HH21 ARG 10 HH21 ARG 10 2.136 -4.951 7.060 87 HH22 ARG 10 HH22 ARG 10 2.079 -3.926 8.458 88 H TYR 11 HN TYR 11 -3.468 -5.099 1.934 89 HA TYR 11 HA TYR 11 -5.801 -4.374 3.485 90 HB2 TYR 11 HB2 TYR 11 -4.362 -3.026 1.207 91 HB3 TYR 11 HB1 TYR 11 -5.832 -2.387 1.931 92 HD1 TYR 11 HD1 TYR 11 -5.808 -1.880 4.438 93 HD2 TYR 11 HD2 TYR 11 -2.281 -2.600 2.176 94 HE1 TYR 11 HE1 TYR 11 -4.474 -0.771 6.173 95 HE2 TYR 11 HE2 TYR 11 -0.936 -1.495 3.909 96 HH TYR 11 HH TYR 11 -1.179 0.086 5.698 97 H AIB 12 HN AIB 12 -5.229 -6.249 0.765 98 HB11 AIB 12 HB11 AIB 12 -7.639 -8.116 1.479 99 HB12 AIB 12 HB12 AIB 12 -8.904 -7.864 0.277 100 HB13 AIB 12 HB13 AIB 12 -8.613 -6.649 1.523 101 HB21 AIB 12 HB21 AIB 12 -5.928 -8.433 -0.138 102 HB22 AIB 12 HB22 AIB 12 -5.724 -7.312 -1.485 103 HB23 AIB 12 HB23 AIB 12 -7.164 -8.322 -1.391 104 H GLY 13 HN GLY 13 -9.475 -5.674 0.159 105 HA2 GLY 13 HA2 GLY 13 -9.716 -4.957 -2.624 106 HA3 GLY 13 HA1 GLY 13 -10.951 -4.789 -1.389 107 H CYS 14 HN CYS 14 -8.464 -3.373 0.067 108 HA CYS 14 HA CYS 14 -9.340 -0.730 -0.778 109 HB2 CYS 14 HB2 CYS 14 -7.364 -1.482 1.376 110 HB3 CYS 14 HB1 CYS 14 -8.080 0.102 1.127 111 H GLU 15 HN GLU 15 -8.052 0.790 -1.734 112 HA GLU 15 HA GLU 15 -5.884 -0.263 -3.318 113 HB2 GLU 15 HB2 GLU 15 -7.055 2.519 -3.141 114 HB3 GLU 15 HB1 GLU 15 -5.852 2.009 -4.317 115 HG2 GLU 15 HG2 GLU 15 -7.438 0.410 -5.248 116 HG3 GLU 15 HG1 GLU 15 -8.643 0.918 -4.064 117 HN1 MVA 16 HM1 MEV 16 -3.932 -1.030 -3.339 118 HN2 MVA 16 HM2 MEV 16 -2.548 -0.024 -3.765 119 HN3 MVA 16 HM3 MEV 16 -4.162 0.411 -4.328 120 HA MVA 16 HA MEV 16 -2.949 2.131 -0.947 121 HB MVA 16 HB MEV 16 -3.015 0.006 0.218 122 HG11 MVA 16 HG11 MEV 16 -2.628 -1.553 -1.592 123 HG12 MVA 16 HG12 MEV 16 -1.454 -1.802 -0.299 124 HG13 MVA 16 HG13 MEV 16 -0.975 -0.960 -1.774 125 HG21 MVA 16 HG21 MEV 16 -1.367 1.669 0.869 126 HG22 MVA 16 HG22 MEV 16 -0.203 0.975 -0.260 127 HG23 MVA 16 HG23 MEV 16 -0.752 0.037 1.129 128 H ARG 17 HN ARG 17 -1.862 3.575 -1.940 129 HA ARG 17 HA ARG 17 0.016 2.945 -4.051 130 HB2 ARG 17 HB2 ARG 17 -1.250 4.946 -4.367 131 HB3 ARG 17 HB1 ARG 17 -0.870 5.518 -2.750 132 HG2 ARG 17 HG2 ARG 17 1.514 5.679 -3.443 133 HG3 ARG 17 HG1 ARG 17 1.007 5.290 -5.086 134 HD2 ARG 17 HD2 ARG 17 -0.030 7.627 -3.486 135 HD3 ARG 17 HD1 ARG 17 1.280 7.733 -4.657 136 HE ARG 17 HE ARG 17 -0.537 6.786 -6.246 137 HH11 ARG 17 HH11 ARG 17 -2.412 9.833 -4.422 138 HH12 ARG 17 HH12 ARG 17 -1.118 9.016 -3.601 139 HH21 ARG 17 HH21 ARG 17 -2.253 7.865 -7.314 140 HH22 ARG 17 HH22 ARG 17 -3.060 9.180 -6.519 141 H CYS 18 HN CYS 18 1.931 2.157 -3.460 142 HA CYS 18 HA CYS 18 3.113 2.831 -0.923 143 HB2 CYS 18 HB2 CYS 18 5.046 1.462 -1.816 144 HB3 CYS 18 HB1 CYS 18 3.508 0.612 -1.708 145 H ASP 19 HN ASP 19 4.355 4.522 -0.532 146 HA ASP 19 HA ASP 19 5.615 5.911 -2.800 147 HB2 ASP 19 HB2 ASP 19 3.586 7.116 -2.001 148 HB3 ASP 19 HB1 ASP 19 4.316 7.226 -0.403 149 HA DPR 20 HA DPR 20 9.436 6.008 -0.535 150 HB2 DPR 20 HB2 DPR 20 10.797 4.477 -1.527 151 HB3 DPR 20 HB1 DPR 20 9.686 3.141 -1.215 152 HG2 DPR 20 HG2 DPR 20 9.642 5.160 -3.422 153 HG3 DPR 20 HG1 DPR 20 9.336 3.413 -3.492 154 HD2 DPR 20 HD2 DPR 20 7.335 5.211 -3.490 155 HD3 DPR 20 HD1 DPR 20 7.176 3.634 -2.691 156 HA PRO 21 HA PRO 21 9.163 3.597 3.237 157 HB2 PRO 21 HB2 PRO 21 9.416 5.625 4.957 158 HB3 PRO 21 HB1 PRO 21 10.779 5.084 3.971 159 HG2 PRO 21 HG2 PRO 21 8.945 7.409 3.541 160 HG3 PRO 21 HG1 PRO 21 10.710 7.344 3.400 161 HD2 PRO 21 HD2 PRO 21 9.023 7.175 1.258 162 HD3 PRO 21 HD1 PRO 21 10.632 6.432 1.297 163 H ARG 22 HN ARG 22 6.900 5.743 1.961 164 HA ARG 22 HA ARG 22 5.053 5.305 4.225 165 HB2 ARG 22 HB2 ARG 22 4.988 7.553 2.200 166 HB3 ARG 22 HB1 ARG 22 3.922 7.366 3.584 167 HG2 ARG 22 HG2 ARG 22 6.889 7.851 3.708 168 HG3 ARG 22 HG1 ARG 22 5.634 9.060 3.972 169 HD2 ARG 22 HD2 ARG 22 6.022 6.564 5.626 170 HD3 ARG 22 HD1 ARG 22 6.578 8.174 6.076 171 HE ARG 22 HE ARG 22 3.747 7.981 5.524 172 HH11 ARG 22 HH11 ARG 22 6.252 7.762 7.956 173 HH12 ARG 22 HH12 ARG 22 5.173 8.075 9.279 174 HH21 ARG 22 HH21 ARG 22 2.934 8.455 8.878 175 HH22 ARG 22 HH22 ARG 22 2.324 8.411 7.256 176 H TYR 23 HN TYR 23 2.689 5.460 3.414 177 HA TYR 23 HA TYR 23 2.244 4.743 0.674 178 HB2 TYR 23 HB2 TYR 23 1.147 2.608 1.109 179 HB3 TYR 23 HB1 TYR 23 2.834 2.552 1.591 180 HD1 TYR 23 HD1 TYR 23 -0.628 2.463 2.745 181 HD2 TYR 23 HD2 TYR 23 3.451 2.399 3.942 182 HE1 TYR 23 HE1 TYR 23 -1.302 1.693 4.979 183 HE2 TYR 23 HE2 TYR 23 2.791 1.629 6.176 184 HH TYR 23 HH TYR 23 0.878 1.643 7.630 185 H GLU 24 HN GLU 24 0.051 4.793 0.088 186 HA GLU 24 HA GLU 24 -1.682 6.080 2.087 187 HB2 GLU 24 HB2 GLU 24 -1.716 6.500 -0.905 188 HB3 GLU 24 HB1 GLU 24 -2.712 7.334 0.277 189 HG2 GLU 24 HG2 GLU 24 -0.641 8.278 1.270 190 HG3 GLU 24 HG1 GLU 24 0.269 7.549 -0.052 191 HN1 MVA 25 HM1 MEV 25 -4.571 5.163 3.414 192 HN2 MVA 25 HM2 MEV 25 -3.633 6.371 2.536 193 HN3 MVA 25 HM3 MEV 25 -2.815 5.179 3.550 194 HA MVA 25 HA MEV 25 -4.446 2.974 0.526 195 HB MVA 25 HB MEV 25 -3.247 1.740 2.235 196 HG11 MVA 25 HG11 MEV 25 -5.235 2.887 4.183 197 HG12 MVA 25 HG12 MEV 25 -3.488 3.140 4.172 198 HG13 MVA 25 HG13 MEV 25 -4.146 1.542 4.523 199 HG21 MVA 25 HG21 MEV 25 -5.105 0.666 1.130 200 HG22 MVA 25 HG22 MEV 25 -6.229 1.329 2.315 201 HG23 MVA 25 HG23 MEV 25 -5.024 0.140 2.811 202 H HIS 26 HN HIS 26 -6.406 3.112 -0.106 203 HA HIS 26 HA HIS 26 -8.381 4.430 1.634 204 HB2 HIS 26 HB2 HIS 26 -8.062 4.798 -1.350 205 HB3 HIS 26 HB1 HIS 26 -9.351 5.486 -0.373 206 HD1 HIS 26 HD1 HIS 26 -8.853 7.631 0.885 207 HD2 HIS 26 HD2 HIS 26 -5.491 5.966 -0.904 208 HE1 HIS 26 HE1 HIS 26 -7.041 9.359 1.110 209 HE2 HIS 26 HE2 HIS 26 -5.057 8.386 -0.101 210 H CYS 27 HN CYS 27 -10.219 3.341 1.893 211 HA CYS 27 HA CYS 27 -10.603 0.909 0.310 212 HB2 CYS 27 HB2 CYS 27 -11.866 1.774 2.916 213 HB3 CYS 27 HB1 CYS 27 -12.129 0.229 2.117 214 HN1 NH2 28 HN1 NH2 28 -11.306 2.462 -1.426 215 HN2 NH2 28 HN2 NH2 28 -12.985 2.862 -1.478 Start of MODEL 6 1 H1 ASN 1 HT1 ASN 1 9.183 -10.883 -4.576 2 H2 ASN 1 HT2 ASN 1 7.650 -10.506 -5.180 3 H3 ASN 1 HT3 ASN 1 7.902 -11.969 -4.371 4 HA ASN 1 HA ASN 1 6.748 -10.386 -2.975 5 HB2 ASN 1 HB2 ASN 1 9.597 -11.006 -2.140 6 HB3 ASN 1 HB1 ASN 1 8.339 -10.458 -1.037 7 HD21 ASN 1 HD21 ASN 1 6.774 -11.870 -0.374 8 HD22 ASN 1 HD22 ASN 1 6.821 -13.565 -0.720 9 H ASP 2 HN ASP 2 6.556 -8.323 -2.150 10 HA ASP 2 HA ASP 2 8.666 -6.393 -2.395 11 HB2 ASP 2 HB2 ASP 2 7.847 -6.464 -4.729 12 HB3 ASP 2 HB1 ASP 2 6.224 -6.096 -4.160 13 H AIB 3 HN AIB 3 8.205 -4.473 -1.285 14 HB11 AIB 3 HB11 AIB 3 8.433 -3.002 0.686 15 HB12 AIB 3 HB12 AIB 3 6.943 -2.176 1.139 16 HB13 AIB 3 HB13 AIB 3 7.495 -2.142 -0.534 17 HB21 AIB 3 HB21 AIB 3 6.066 -5.733 1.187 18 HB22 AIB 3 HB22 AIB 3 6.069 -4.236 2.119 19 HB23 AIB 3 HB23 AIB 3 7.594 -5.018 1.701 20 H CYS 4 HN CYS 4 5.958 -3.044 -2.165 21 HA CYS 4 HA CYS 4 3.468 -1.920 -1.457 22 HB2 CYS 4 HB2 CYS 4 4.378 -2.689 -4.232 23 HB3 CYS 4 HB1 CYS 4 3.198 -1.462 -3.801 24 H LYS 5 HN LYS 5 4.388 -4.969 -2.960 25 HA LYS 5 HA LYS 5 1.755 -5.782 -3.621 26 HB2 LYS 5 HB2 LYS 5 3.815 -6.717 -4.663 27 HB3 LYS 5 HB1 LYS 5 4.181 -7.522 -3.145 28 HG2 LYS 5 HG2 LYS 5 3.181 -9.078 -4.703 29 HG3 LYS 5 HG1 LYS 5 2.099 -8.809 -3.336 30 HD2 LYS 5 HD2 LYS 5 0.777 -7.255 -4.669 31 HD3 LYS 5 HD1 LYS 5 1.878 -7.470 -6.031 32 HE2 LYS 5 HE2 LYS 5 1.281 -9.833 -6.149 33 HE3 LYS 5 HE1 LYS 5 0.207 -9.637 -4.764 34 HZ1 LYS 5 HZ1 LYS 5 -1.167 -8.157 -6.040 35 HZ2 LYS 5 HZ2 LYS 5 -0.970 -9.598 -6.898 36 HZ3 LYS 5 HZ3 LYS 5 -0.106 -8.221 -7.355 37 H AIB 6 HN AIB 6 3.862 -6.365 -0.860 38 HB11 AIB 6 HB11 AIB 6 4.605 -7.602 1.168 39 HB12 AIB 6 HB12 AIB 6 3.526 -7.395 2.548 40 HB13 AIB 6 HB13 AIB 6 4.084 -5.987 1.647 41 HB21 AIB 6 HB21 AIB 6 3.006 -9.193 0.275 42 HB22 AIB 6 HB22 AIB 6 1.347 -8.713 -0.072 43 HB23 AIB 6 HB23 AIB 6 1.877 -8.909 1.598 44 H LEU 7 HN LEU 7 2.371 -4.608 0.532 45 HA LEU 7 HA LEU 7 0.394 -4.177 2.489 46 HB2 LEU 7 HB2 LEU 7 1.145 -2.446 0.137 47 HB3 LEU 7 HB1 LEU 7 0.181 -1.926 1.503 48 HG LEU 7 HG LEU 7 3.070 -2.801 1.645 49 HD11 LEU 7 HD11 LEU 7 1.835 -0.058 1.823 50 HD12 LEU 7 HD12 LEU 7 2.796 -0.674 0.479 51 HD13 LEU 7 HD13 LEU 7 3.539 -0.444 2.062 52 HD21 LEU 7 HD21 LEU 7 1.867 -3.274 3.708 53 HD22 LEU 7 HD22 LEU 7 1.241 -1.626 3.736 54 HD23 LEU 7 HD23 LEU 7 2.968 -1.915 3.934 55 H LYS 8 HN LYS 8 0.194 -4.476 -1.031 56 HA LYS 8 HA LYS 8 -2.527 -3.925 -1.334 57 HB2 LYS 8 HB2 LYS 8 -0.780 -5.820 -2.917 58 HB3 LYS 8 HB1 LYS 8 -2.389 -5.311 -3.407 59 HG2 LYS 8 HG2 LYS 8 -1.646 -3.018 -3.599 60 HG3 LYS 8 HG1 LYS 8 -0.046 -3.460 -3.001 61 HD2 LYS 8 HD2 LYS 8 0.179 -4.997 -4.956 62 HD3 LYS 8 HD1 LYS 8 -1.343 -4.350 -5.570 63 HE2 LYS 8 HE2 LYS 8 1.126 -2.717 -4.994 64 HE3 LYS 8 HE1 LYS 8 0.644 -3.290 -6.590 65 HZ1 LYS 8 HZ1 LYS 8 -1.347 -1.977 -6.455 66 HZ2 LYS 8 HZ2 LYS 8 -0.013 -0.980 -6.164 67 HZ3 LYS 8 HZ3 LYS 8 -0.982 -1.489 -4.879 68 H AIB 9 HN AIB 9 -0.901 -7.039 -0.887 69 HB11 AIB 9 HB11 AIB 9 -0.543 -9.053 0.613 70 HB12 AIB 9 HB12 AIB 9 -0.875 -9.505 -1.059 71 HB13 AIB 9 HB13 AIB 9 -1.719 -10.317 0.260 72 HB21 AIB 9 HB21 AIB 9 -3.049 -9.082 -2.033 73 HB22 AIB 9 HB22 AIB 9 -4.264 -8.141 -1.169 74 HB23 AIB 9 HB23 AIB 9 -3.888 -9.784 -0.652 75 H ARG 10 HN ARG 10 -1.481 -6.827 1.656 76 HA ARG 10 HA ARG 10 -2.700 -7.962 3.931 77 HB2 ARG 10 HB2 ARG 10 -0.579 -6.720 3.982 78 HB3 ARG 10 HB1 ARG 10 -1.436 -5.240 3.575 79 HG2 ARG 10 HG2 ARG 10 -2.676 -5.384 5.673 80 HG3 ARG 10 HG1 ARG 10 -1.795 -6.857 6.089 81 HD2 ARG 10 HD2 ARG 10 -0.596 -4.123 5.639 82 HD3 ARG 10 HD1 ARG 10 -0.819 -4.916 7.197 83 HE ARG 10 HE ARG 10 0.705 -6.646 5.667 84 HH11 ARG 10 HH11 ARG 10 2.745 -3.457 7.006 85 HH12 ARG 10 HH12 ARG 10 1.011 -3.415 6.979 86 HH21 ARG 10 HH21 ARG 10 2.973 -6.716 5.732 87 HH22 ARG 10 HH22 ARG 10 3.862 -5.341 6.309 88 H TYR 11 HN TYR 11 -3.518 -5.147 1.953 89 HA TYR 11 HA TYR 11 -5.668 -4.468 3.787 90 HB2 TYR 11 HB2 TYR 11 -4.518 -3.062 1.387 91 HB3 TYR 11 HB1 TYR 11 -5.959 -2.497 2.231 92 HD1 TYR 11 HD1 TYR 11 -5.782 -1.875 4.670 93 HD2 TYR 11 HD2 TYR 11 -2.375 -2.647 2.248 94 HE1 TYR 11 HE1 TYR 11 -4.366 -0.689 6.289 95 HE2 TYR 11 HE2 TYR 11 -0.950 -1.469 3.861 96 HH TYR 11 HH TYR 11 -1.255 0.333 5.594 97 H AIB 12 HN AIB 12 -5.384 -6.595 1.402 98 HB11 AIB 12 HB11 AIB 12 -6.945 -8.690 2.166 99 HB12 AIB 12 HB12 AIB 12 -8.501 -8.821 1.345 100 HB13 AIB 12 HB13 AIB 12 -8.276 -7.629 2.627 101 HB21 AIB 12 HB21 AIB 12 -7.508 -8.527 -0.817 102 HB22 AIB 12 HB22 AIB 12 -5.943 -8.522 -0.007 103 HB23 AIB 12 HB23 AIB 12 -6.365 -7.220 -1.116 104 H GLY 13 HN GLY 13 -7.511 -5.467 -1.190 105 HA2 GLY 13 HA2 GLY 13 -9.683 -5.235 -2.376 106 HA3 GLY 13 HA1 GLY 13 -10.415 -5.114 -0.788 107 H CYS 14 HN CYS 14 -8.241 -3.417 0.249 108 HA CYS 14 HA CYS 14 -9.295 -0.902 -0.689 109 HB2 CYS 14 HB2 CYS 14 -6.970 -1.313 1.182 110 HB3 CYS 14 HB1 CYS 14 -7.985 0.110 1.040 111 H GLU 15 HN GLU 15 -8.013 0.803 -1.580 112 HA GLU 15 HA GLU 15 -5.963 -0.198 -3.384 113 HB2 GLU 15 HB2 GLU 15 -7.312 2.499 -3.166 114 HB3 GLU 15 HB1 GLU 15 -6.070 2.115 -4.347 115 HG2 GLU 15 HG2 GLU 15 -7.551 0.298 -5.201 116 HG3 GLU 15 HG1 GLU 15 -8.809 0.901 -4.124 117 HN1 MVA 16 HM1 MEV 16 -2.662 -0.263 -3.694 118 HN2 MVA 16 HM2 MEV 16 -4.216 0.253 -4.351 119 HN3 MVA 16 HM3 MEV 16 -4.138 -1.109 -3.231 120 HA MVA 16 HA MEV 16 -3.006 2.153 -1.048 121 HB MVA 16 HB MEV 16 -3.056 0.053 0.172 122 HG11 MVA 16 HG11 MEV 16 -1.023 -0.948 -1.806 123 HG12 MVA 16 HG12 MEV 16 -2.670 -1.547 -1.601 124 HG13 MVA 16 HG13 MEV 16 -1.489 -1.754 -0.307 125 HG21 MVA 16 HG21 MEV 16 -1.403 1.760 0.737 126 HG22 MVA 16 HG22 MEV 16 -0.243 0.993 -0.351 127 HG23 MVA 16 HG23 MEV 16 -0.812 0.134 1.081 128 H ARG 17 HN ARG 17 -1.856 3.556 -1.978 129 HA ARG 17 HA ARG 17 -0.020 2.872 -4.138 130 HB2 ARG 17 HB2 ARG 17 -1.424 4.817 -4.480 131 HB3 ARG 17 HB1 ARG 17 -0.900 5.510 -2.954 132 HG2 ARG 17 HG2 ARG 17 1.430 5.544 -3.914 133 HG3 ARG 17 HG1 ARG 17 0.692 5.155 -5.468 134 HD2 ARG 17 HD2 ARG 17 -0.654 7.182 -5.361 135 HD3 ARG 17 HD1 ARG 17 0.006 7.556 -3.770 136 HE ARG 17 HE ARG 17 1.740 7.392 -6.150 137 HH11 ARG 17 HH11 ARG 17 1.667 10.452 -3.535 138 HH12 ARG 17 HH12 ARG 17 0.538 9.142 -3.343 139 HH21 ARG 17 HH21 ARG 17 3.224 9.113 -6.374 140 HH22 ARG 17 HH22 ARG 17 3.195 10.427 -5.244 141 H CYS 18 HN CYS 18 2.037 2.391 -3.636 142 HA CYS 18 HA CYS 18 3.023 3.147 -1.008 143 HB2 CYS 18 HB2 CYS 18 4.933 1.662 -1.539 144 HB3 CYS 18 HB1 CYS 18 3.377 0.845 -1.658 145 H ASP 19 HN ASP 19 4.481 4.662 -0.634 146 HA ASP 19 HA ASP 19 5.845 5.909 -2.922 147 HB2 ASP 19 HB2 ASP 19 3.984 7.321 -2.006 148 HB3 ASP 19 HB1 ASP 19 4.828 7.345 -0.462 149 HA DPR 20 HA DPR 20 9.675 5.476 -0.657 150 HB2 DPR 20 HB2 DPR 20 10.866 3.894 -1.784 151 HB3 DPR 20 HB1 DPR 20 9.609 2.669 -1.589 152 HG2 DPR 20 HG2 DPR 20 9.818 4.859 -3.615 153 HG3 DPR 20 HG1 DPR 20 9.317 3.171 -3.834 154 HD2 DPR 20 HD2 DPR 20 7.533 5.176 -3.686 155 HD3 DPR 20 HD1 DPR 20 7.187 3.568 -3.020 156 HA PRO 21 HA PRO 21 8.941 2.762 2.856 157 HB2 PRO 21 HB2 PRO 21 9.621 4.477 4.768 158 HB3 PRO 21 HB1 PRO 21 10.843 3.829 3.667 159 HG2 PRO 21 HG2 PRO 21 9.456 6.480 3.596 160 HG3 PRO 21 HG1 PRO 21 11.175 6.117 3.368 161 HD2 PRO 21 HD2 PRO 21 9.396 6.506 1.307 162 HD3 PRO 21 HD1 PRO 21 10.882 5.549 1.168 163 H ARG 22 HN ARG 22 7.040 5.199 1.707 164 HA ARG 22 HA ARG 22 5.186 5.016 3.995 165 HB2 ARG 22 HB2 ARG 22 5.337 7.198 1.906 166 HB3 ARG 22 HB1 ARG 22 4.226 7.147 3.267 167 HG2 ARG 22 HG2 ARG 22 6.217 7.208 4.781 168 HG3 ARG 22 HG1 ARG 22 7.211 7.491 3.350 169 HD2 ARG 22 HD2 ARG 22 6.735 9.616 4.335 170 HD3 ARG 22 HD1 ARG 22 5.795 9.485 2.851 171 HE ARG 22 HE ARG 22 4.508 8.810 5.399 172 HH11 ARG 22 HH11 ARG 22 4.797 10.954 2.650 173 HH12 ARG 22 HH12 ARG 22 3.334 11.812 3.003 174 HH21 ARG 22 HH21 ARG 22 2.076 11.238 4.837 175 HH22 ARG 22 HH22 ARG 22 2.580 9.934 5.863 176 H TYR 23 HN TYR 23 2.835 5.339 3.240 177 HA TYR 23 HA TYR 23 2.241 4.607 0.532 178 HB2 TYR 23 HB2 TYR 23 1.053 2.538 1.033 179 HB3 TYR 23 HB1 TYR 23 2.750 2.403 1.464 180 HD1 TYR 23 HD1 TYR 23 -0.672 2.446 2.705 181 HD2 TYR 23 HD2 TYR 23 3.432 2.328 3.821 182 HE1 TYR 23 HE1 TYR 23 -1.313 1.738 4.969 183 HE2 TYR 23 HE2 TYR 23 2.801 1.623 6.085 184 HH TYR 23 HH TYR 23 0.897 1.731 7.578 185 H GLU 24 HN GLU 24 0.031 4.718 0.030 186 HA GLU 24 HA GLU 24 -1.660 6.022 2.057 187 HB2 GLU 24 HB2 GLU 24 -1.695 6.362 -0.947 188 HB3 GLU 24 HB1 GLU 24 -2.802 7.134 0.172 189 HG2 GLU 24 HG2 GLU 24 -0.947 8.351 1.178 190 HG3 GLU 24 HG1 GLU 24 0.170 7.570 0.057 191 HN1 MVA 25 HM1 MEV 25 -2.937 5.248 3.505 192 HN2 MVA 25 HM2 MEV 25 -4.686 5.194 3.283 193 HN3 MVA 25 HM3 MEV 25 -3.717 6.360 2.383 194 HA MVA 25 HA MEV 25 -4.464 2.914 0.511 195 HB MVA 25 HB MEV 25 -3.178 1.695 2.151 196 HG11 MVA 25 HG11 MEV 25 -3.955 1.475 4.481 197 HG12 MVA 25 HG12 MEV 25 -5.088 2.798 4.198 198 HG13 MVA 25 HG13 MEV 25 -3.350 3.088 4.099 199 HG21 MVA 25 HG21 MEV 25 -5.059 0.587 1.130 200 HG22 MVA 25 HG22 MEV 25 -6.145 1.228 2.366 201 HG23 MVA 25 HG23 MEV 25 -4.896 0.060 2.807 202 H HIS 26 HN HIS 26 -6.388 3.182 -0.122 203 HA HIS 26 HA HIS 26 -8.368 4.394 1.692 204 HB2 HIS 26 HB2 HIS 26 -8.208 4.573 -1.325 205 HB3 HIS 26 HB1 HIS 26 -9.468 5.283 -0.331 206 HD1 HIS 26 HD1 HIS 26 -9.128 7.678 0.175 207 HD2 HIS 26 HD2 HIS 26 -5.530 5.741 -0.591 208 HE1 HIS 26 HE1 HIS 26 -7.370 9.474 0.229 209 HE2 HIS 26 HE2 HIS 26 -5.198 8.288 -0.235 210 H CYS 27 HN CYS 27 -9.932 3.034 2.267 211 HA CYS 27 HA CYS 27 -10.414 0.650 0.655 212 HB2 CYS 27 HB2 CYS 27 -11.444 1.363 3.408 213 HB3 CYS 27 HB1 CYS 27 -11.673 -0.176 2.591 214 HN1 NH2 28 HN1 NH2 28 -12.510 2.853 2.492 215 HN2 NH2 28 HN2 NH2 28 -13.753 2.942 1.293 Start of MODEL 7 1 H1 ASN 1 HT1 ASN 1 10.018 -10.359 -4.197 2 H2 ASN 1 HT2 ASN 1 9.337 -9.491 -5.473 3 H3 ASN 1 HT3 ASN 1 8.792 -11.054 -5.132 4 HA ASN 1 HA ASN 1 7.220 -9.421 -4.352 5 HB2 ASN 1 HB2 ASN 1 7.570 -11.566 -3.099 6 HB3 ASN 1 HB1 ASN 1 8.706 -10.722 -2.051 7 HD21 ASN 1 HD21 ASN 1 7.471 -11.115 -0.225 8 HD22 ASN 1 HD22 ASN 1 5.979 -10.290 0.077 9 H ASP 2 HN ASP 2 6.755 -7.622 -3.007 10 HA ASP 2 HA ASP 2 9.075 -6.130 -2.013 11 HB2 ASP 2 HB2 ASP 2 8.526 -5.354 -4.333 12 HB3 ASP 2 HB1 ASP 2 6.924 -4.910 -3.758 13 H AIB 3 HN AIB 3 8.532 -4.496 -0.470 14 HB11 AIB 3 HB11 AIB 3 6.960 -2.770 2.242 15 HB12 AIB 3 HB12 AIB 3 7.697 -2.359 0.694 16 HB13 AIB 3 HB13 AIB 3 8.504 -3.485 1.784 17 HB21 AIB 3 HB21 AIB 3 7.593 -5.645 2.226 18 HB22 AIB 3 HB22 AIB 3 6.180 -6.246 1.363 19 HB23 AIB 3 HB23 AIB 3 5.995 -5.004 2.601 20 H CYS 4 HN CYS 4 6.373 -3.002 -1.354 21 HA CYS 4 HA CYS 4 3.819 -1.964 -0.839 22 HB2 CYS 4 HB2 CYS 4 5.230 -0.966 -2.514 23 HB3 CYS 4 HB1 CYS 4 5.262 -2.459 -3.440 24 H LYS 5 HN LYS 5 4.841 -4.880 -2.570 25 HA LYS 5 HA LYS 5 2.265 -5.559 -3.516 26 HB2 LYS 5 HB2 LYS 5 4.400 -6.474 -4.445 27 HB3 LYS 5 HB1 LYS 5 4.583 -7.433 -2.981 28 HG2 LYS 5 HG2 LYS 5 2.471 -8.588 -3.498 29 HG3 LYS 5 HG1 LYS 5 2.344 -7.652 -4.987 30 HD2 LYS 5 HD2 LYS 5 4.504 -8.603 -5.722 31 HD3 LYS 5 HD1 LYS 5 4.526 -9.605 -4.270 32 HE2 LYS 5 HE2 LYS 5 2.436 -9.661 -6.445 33 HE3 LYS 5 HE1 LYS 5 3.707 -10.856 -6.200 34 HZ1 LYS 5 HZ1 LYS 5 2.732 -11.370 -4.037 35 HZ2 LYS 5 HZ2 LYS 5 1.624 -11.624 -5.289 36 HZ3 LYS 5 HZ3 LYS 5 1.495 -10.250 -4.314 37 H AIB 6 HN AIB 6 4.118 -6.489 -0.664 38 HB11 AIB 6 HB11 AIB 6 4.612 -7.934 1.309 39 HB12 AIB 6 HB12 AIB 6 3.428 -7.769 2.604 40 HB13 AIB 6 HB13 AIB 6 4.134 -6.331 1.868 41 HB21 AIB 6 HB21 AIB 6 1.455 -8.781 -0.296 42 HB22 AIB 6 HB22 AIB 6 1.828 -9.134 1.393 43 HB23 AIB 6 HB23 AIB 6 3.063 -9.353 0.152 44 H LEU 7 HN LEU 7 2.553 -4.781 0.733 45 HA LEU 7 HA LEU 7 0.441 -4.461 2.585 46 HB2 LEU 7 HB2 LEU 7 1.468 -2.500 0.538 47 HB3 LEU 7 HB1 LEU 7 0.436 -2.106 1.895 48 HG LEU 7 HG LEU 7 3.265 -3.141 2.095 49 HD11 LEU 7 HD11 LEU 7 3.181 -0.866 1.256 50 HD12 LEU 7 HD12 LEU 7 3.771 -0.889 2.917 51 HD13 LEU 7 HD13 LEU 7 2.110 -0.403 2.579 52 HD21 LEU 7 HD21 LEU 7 1.927 -3.865 3.986 53 HD22 LEU 7 HD22 LEU 7 1.333 -2.221 4.219 54 HD23 LEU 7 HD23 LEU 7 3.037 -2.589 4.482 55 H LYS 8 HN LYS 8 0.545 -4.397 -0.949 56 HA LYS 8 HA LYS 8 -2.129 -3.652 -1.344 57 HB2 LYS 8 HB2 LYS 8 -0.219 -5.222 -3.062 58 HB3 LYS 8 HB1 LYS 8 -1.855 -4.848 -3.586 59 HG2 LYS 8 HG2 LYS 8 -1.354 -2.445 -3.346 60 HG3 LYS 8 HG1 LYS 8 0.301 -2.856 -2.899 61 HD2 LYS 8 HD2 LYS 8 0.635 -3.922 -5.066 62 HD3 LYS 8 HD1 LYS 8 -1.034 -3.566 -5.511 63 HE2 LYS 8 HE2 LYS 8 1.082 -1.507 -4.881 64 HE3 LYS 8 HE1 LYS 8 0.576 -1.979 -6.501 65 HZ1 LYS 8 HZ1 LYS 8 -0.543 0.025 -5.889 66 HZ2 LYS 8 HZ2 LYS 8 -1.093 -0.641 -4.438 67 HZ3 LYS 8 HZ3 LYS 8 -1.688 -1.220 -5.912 68 H AIB 9 HN AIB 9 -0.633 -6.852 -1.123 69 HB11 AIB 9 HB11 AIB 9 -0.647 -9.315 -1.470 70 HB12 AIB 9 HB12 AIB 9 -1.668 -10.181 -0.323 71 HB13 AIB 9 HB13 AIB 9 -0.511 -8.986 0.258 72 HB21 AIB 9 HB21 AIB 9 -3.698 -9.507 -1.459 73 HB22 AIB 9 HB22 AIB 9 -2.670 -8.745 -2.672 74 HB23 AIB 9 HB23 AIB 9 -3.955 -7.818 -1.898 75 H ARG 10 HN ARG 10 -1.497 -6.861 1.386 76 HA ARG 10 HA ARG 10 -3.208 -8.014 3.330 77 HB2 ARG 10 HB2 ARG 10 -1.045 -6.995 3.902 78 HB3 ARG 10 HB1 ARG 10 -1.654 -5.418 3.416 79 HG2 ARG 10 HG2 ARG 10 -3.340 -5.547 5.198 80 HG3 ARG 10 HG1 ARG 10 -2.661 -7.091 5.707 81 HD2 ARG 10 HD2 ARG 10 -1.158 -4.476 5.622 82 HD3 ARG 10 HD1 ARG 10 -1.874 -5.181 7.068 83 HE ARG 10 HE ARG 10 0.168 -6.680 5.567 84 HH11 ARG 10 HH11 ARG 10 0.463 -5.668 9.447 85 HH12 ARG 10 HH12 ARG 10 -0.896 -5.117 8.523 86 HH21 ARG 10 HH21 ARG 10 2.072 -6.986 8.468 87 HH22 ARG 10 HH22 ARG 10 1.933 -7.424 6.795 88 H TYR 11 HN TYR 11 -3.361 -5.062 1.426 89 HA TYR 11 HA TYR 11 -5.888 -4.332 2.723 90 HB2 TYR 11 HB2 TYR 11 -3.979 -2.745 1.003 91 HB3 TYR 11 HB1 TYR 11 -5.523 -2.132 1.576 92 HD1 TYR 11 HD1 TYR 11 -5.886 -1.971 4.090 93 HD2 TYR 11 HD2 TYR 11 -2.066 -2.616 2.338 94 HE1 TYR 11 HE1 TYR 11 -4.817 -1.235 6.171 95 HE2 TYR 11 HE2 TYR 11 -0.982 -1.882 4.417 96 HH TYR 11 HH TYR 11 -1.420 -0.613 6.375 97 H AIB 12 HN AIB 12 -5.902 -6.481 0.918 98 HB11 AIB 12 HB11 AIB 12 -7.754 -8.087 -1.677 99 HB12 AIB 12 HB12 AIB 12 -7.726 -8.064 0.086 100 HB13 AIB 12 HB13 AIB 12 -6.217 -8.189 -0.819 101 HB21 AIB 12 HB21 AIB 12 -5.409 -6.298 -2.137 102 HB22 AIB 12 HB22 AIB 12 -6.325 -4.792 -2.187 103 HB23 AIB 12 HB23 AIB 12 -6.968 -6.242 -2.959 104 H GLY 13 HN GLY 13 -8.483 -5.567 1.202 105 HA2 GLY 13 HA2 GLY 13 -10.980 -5.216 -0.221 106 HA3 GLY 13 HA1 GLY 13 -10.730 -5.028 1.506 107 H CYS 14 HN CYS 14 -8.363 -3.300 0.085 108 HA CYS 14 HA CYS 14 -9.950 -0.847 -0.190 109 HB2 CYS 14 HB2 CYS 14 -7.364 -1.066 1.364 110 HB3 CYS 14 HB1 CYS 14 -8.353 0.373 1.180 111 H GLU 15 HN GLU 15 -8.120 0.939 -0.875 112 HA GLU 15 HA GLU 15 -6.495 -0.322 -2.982 113 HB2 GLU 15 HB2 GLU 15 -7.752 2.427 -2.902 114 HB3 GLU 15 HB1 GLU 15 -6.628 1.890 -4.142 115 HG2 GLU 15 HG2 GLU 15 -8.202 0.125 -4.786 116 HG3 GLU 15 HG1 GLU 15 -9.332 0.707 -3.566 117 HN1 MVA 16 HM1 MEV 16 -4.664 -1.222 -2.945 118 HN2 MVA 16 HM2 MEV 16 -3.203 -0.433 -3.541 119 HN3 MVA 16 HM3 MEV 16 -4.784 0.072 -4.135 120 HA MVA 16 HA MEV 16 -3.343 2.160 -1.050 121 HB MVA 16 HB MEV 16 -3.378 0.185 0.347 122 HG11 MVA 16 HG11 MEV 16 -3.169 -1.585 -1.275 123 HG12 MVA 16 HG12 MEV 16 -1.886 -1.714 -0.071 124 HG13 MVA 16 HG13 MEV 16 -1.531 -1.063 -1.671 125 HG21 MVA 16 HG21 MEV 16 -1.051 0.220 1.087 126 HG22 MVA 16 HG22 MEV 16 -1.634 1.840 0.700 127 HG23 MVA 16 HG23 MEV 16 -0.582 0.988 -0.431 128 H ARG 17 HN ARG 17 -2.128 3.440 -2.067 129 HA ARG 17 HA ARG 17 -0.459 2.544 -4.286 130 HB2 ARG 17 HB2 ARG 17 -1.063 5.278 -3.154 131 HB3 ARG 17 HB1 ARG 17 0.051 5.001 -4.483 132 HG2 ARG 17 HG2 ARG 17 -1.726 4.140 -5.859 133 HG3 ARG 17 HG1 ARG 17 -2.861 4.253 -4.512 134 HD2 ARG 17 HD2 ARG 17 -3.109 6.127 -6.084 135 HD3 ARG 17 HD1 ARG 17 -2.632 6.664 -4.476 136 HE ARG 17 HE ARG 17 -0.315 6.326 -6.016 137 HH11 ARG 17 HH11 ARG 17 -2.329 9.761 -6.539 138 HH12 ARG 17 HH12 ARG 17 -3.132 8.391 -5.837 139 HH21 ARG 17 HH21 ARG 17 0.753 8.129 -6.925 140 HH22 ARG 17 HH22 ARG 17 -0.119 9.615 -7.147 141 H CYS 18 HN CYS 18 1.822 2.866 -4.278 142 HA CYS 18 HA CYS 18 2.933 3.268 -1.591 143 HB2 CYS 18 HB2 CYS 18 4.560 1.436 -2.097 144 HB3 CYS 18 HB1 CYS 18 2.890 0.902 -1.928 145 H ASP 19 HN ASP 19 4.695 4.466 -1.448 146 HA ASP 19 HA ASP 19 6.242 5.022 -3.882 147 HB2 ASP 19 HB2 ASP 19 4.889 7.009 -3.034 148 HB3 ASP 19 HB1 ASP 19 5.909 6.974 -1.599 149 HA DPR 20 HA DPR 20 9.897 3.864 -1.561 150 HB2 DPR 20 HB2 DPR 20 10.763 2.124 -2.741 151 HB3 DPR 20 HB1 DPR 20 9.300 1.155 -2.562 152 HG2 DPR 20 HG2 DPR 20 9.925 3.281 -4.568 153 HG3 DPR 20 HG1 DPR 20 9.100 1.729 -4.798 154 HD2 DPR 20 HD2 DPR 20 7.746 4.037 -4.641 155 HD3 DPR 20 HD1 DPR 20 7.093 2.532 -3.964 156 HA PRO 21 HA PRO 21 8.523 1.282 1.860 157 HB2 PRO 21 HB2 PRO 21 9.335 2.878 3.844 158 HB3 PRO 21 HB1 PRO 21 10.492 1.984 2.853 159 HG2 PRO 21 HG2 PRO 21 9.672 4.854 2.678 160 HG3 PRO 21 HG1 PRO 21 11.293 4.149 2.561 161 HD2 PRO 21 HD2 PRO 21 9.781 4.881 0.394 162 HD3 PRO 21 HD1 PRO 21 11.034 3.628 0.345 163 H ARG 22 HN ARG 22 7.308 4.292 0.870 164 HA ARG 22 HA ARG 22 5.458 4.526 3.134 165 HB2 ARG 22 HB2 ARG 22 6.068 6.401 0.843 166 HB3 ARG 22 HB1 ARG 22 4.876 6.721 2.094 167 HG2 ARG 22 HG2 ARG 22 6.590 6.749 3.785 168 HG3 ARG 22 HG1 ARG 22 7.809 6.282 2.597 169 HD2 ARG 22 HD2 ARG 22 7.887 8.683 3.072 170 HD3 ARG 22 HD1 ARG 22 7.463 8.364 1.392 171 HE ARG 22 HE ARG 22 5.083 8.628 2.815 172 HH11 ARG 22 HH11 ARG 22 7.844 10.598 1.953 173 HH12 ARG 22 HH12 ARG 22 6.945 12.080 1.948 174 HH21 ARG 22 HH21 ARG 22 4.697 12.065 2.429 175 HH22 ARG 22 HH22 ARG 22 3.898 10.572 2.809 176 H TYR 23 HN TYR 23 3.171 4.917 2.700 177 HA TYR 23 HA TYR 23 2.154 4.173 0.106 178 HB2 TYR 23 HB2 TYR 23 0.874 2.253 0.876 179 HB3 TYR 23 HB1 TYR 23 2.590 1.984 1.125 180 HD1 TYR 23 HD1 TYR 23 -0.645 2.170 2.671 181 HD2 TYR 23 HD2 TYR 23 3.533 2.238 3.458 182 HE1 TYR 23 HE1 TYR 23 -1.088 1.659 5.031 183 HE2 TYR 23 HE2 TYR 23 3.102 1.727 5.823 184 HH TYR 23 HH TYR 23 1.263 1.967 7.451 185 H GLU 24 HN GLU 24 -0.077 4.483 -0.130 186 HA GLU 24 HA GLU 24 -1.449 5.851 2.081 187 HB2 GLU 24 HB2 GLU 24 -1.594 6.492 -0.873 188 HB3 GLU 24 HB1 GLU 24 -2.664 7.174 0.340 189 HG2 GLU 24 HG2 GLU 24 -0.744 8.207 1.448 190 HG3 GLU 24 HG1 GLU 24 0.319 7.534 0.212 191 HN1 MVA 25 HM1 MEV 25 -2.604 5.000 3.594 192 HN2 MVA 25 HM2 MEV 25 -4.362 5.125 3.540 193 HN3 MVA 25 HM3 MEV 25 -3.368 6.281 2.657 194 HA MVA 25 HA MEV 25 -4.506 2.993 0.613 195 HB MVA 25 HB MEV 25 -3.308 1.655 2.234 196 HG11 MVA 25 HG11 MEV 25 -3.353 3.008 4.214 197 HG12 MVA 25 HG12 MEV 25 -4.110 1.454 4.565 198 HG13 MVA 25 HG13 MEV 25 -5.109 2.885 4.308 199 HG21 MVA 25 HG21 MEV 25 -5.140 0.151 2.862 200 HG22 MVA 25 HG22 MEV 25 -5.289 0.732 1.205 201 HG23 MVA 25 HG23 MEV 25 -6.300 1.422 2.474 202 H HIS 26 HN HIS 26 -6.398 3.407 0.009 203 HA HIS 26 HA HIS 26 -8.229 4.882 1.765 204 HB2 HIS 26 HB2 HIS 26 -8.238 4.519 -1.237 205 HB3 HIS 26 HB1 HIS 26 -9.464 5.390 -0.331 206 HD1 HIS 26 HD1 HIS 26 -9.027 7.807 0.144 207 HD2 HIS 26 HD2 HIS 26 -5.636 5.800 -1.177 208 HE1 HIS 26 HE1 HIS 26 -7.298 9.590 -0.253 209 HE2 HIS 26 HE2 HIS 26 -5.221 8.343 -0.945 210 H CYS 27 HN CYS 27 -9.851 3.778 2.635 211 HA CYS 27 HA CYS 27 -10.576 1.203 1.436 212 HB2 CYS 27 HB2 CYS 27 -10.858 2.217 4.262 213 HB3 CYS 27 HB1 CYS 27 -11.546 0.701 3.696 214 HN1 NH2 28 HN1 NH2 28 -12.034 1.930 -0.056 215 HN2 NH2 28 HN2 NH2 28 -13.547 2.647 0.365 Start of MODEL 8 1 H1 ASN 1 HT1 ASN 1 9.846 -11.531 -3.221 2 H2 ASN 1 HT2 ASN 1 8.535 -11.356 -4.269 3 H3 ASN 1 HT3 ASN 1 8.562 -12.631 -3.160 4 HA ASN 1 HA ASN 1 7.068 -10.897 -2.441 5 HB2 ASN 1 HB2 ASN 1 9.602 -11.240 -0.823 6 HB3 ASN 1 HB1 ASN 1 8.156 -10.462 -0.191 7 HD21 ASN 1 HD21 ASN 1 7.805 -11.976 1.382 8 HD22 ASN 1 HD22 ASN 1 7.283 -13.589 1.035 9 H ASP 2 HN ASP 2 6.788 -8.713 -1.700 10 HA ASP 2 HA ASP 2 8.899 -6.796 -2.152 11 HB2 ASP 2 HB2 ASP 2 7.980 -7.143 -4.439 12 HB3 ASP 2 HB1 ASP 2 6.390 -6.688 -3.844 13 H AIB 3 HN AIB 3 8.501 -4.857 -1.099 14 HB11 AIB 3 HB11 AIB 3 7.894 -2.485 -0.440 15 HB12 AIB 3 HB12 AIB 3 8.771 -3.317 0.842 16 HB13 AIB 3 HB13 AIB 3 7.306 -2.413 1.221 17 HB21 AIB 3 HB21 AIB 3 7.880 -5.271 1.898 18 HB22 AIB 3 HB22 AIB 3 6.316 -5.937 1.426 19 HB23 AIB 3 HB23 AIB 3 6.396 -4.408 2.301 20 H CYS 4 HN CYS 4 6.290 -3.389 -2.027 21 HA CYS 4 HA CYS 4 3.787 -2.252 -1.317 22 HB2 CYS 4 HB2 CYS 4 5.139 -1.379 -3.166 23 HB3 CYS 4 HB1 CYS 4 4.907 -2.881 -4.049 24 H LYS 5 HN LYS 5 4.787 -5.320 -2.666 25 HA LYS 5 HA LYS 5 2.197 -6.175 -3.451 26 HB2 LYS 5 HB2 LYS 5 4.319 -7.203 -4.274 27 HB3 LYS 5 HB1 LYS 5 4.562 -7.894 -2.676 28 HG2 LYS 5 HG2 LYS 5 2.445 -9.142 -2.923 29 HG3 LYS 5 HG1 LYS 5 2.286 -8.497 -4.559 30 HD2 LYS 5 HD2 LYS 5 4.468 -9.536 -5.121 31 HD3 LYS 5 HD1 LYS 5 4.494 -10.266 -3.515 32 HE2 LYS 5 HE2 LYS 5 2.400 -10.720 -5.640 33 HE3 LYS 5 HE1 LYS 5 3.683 -11.843 -5.192 34 HZ1 LYS 5 HZ1 LYS 5 2.719 -11.967 -2.965 35 HZ2 LYS 5 HZ2 LYS 5 1.617 -12.460 -4.146 36 HZ3 LYS 5 HZ3 LYS 5 1.468 -10.932 -3.439 37 H AIB 6 HN AIB 6 4.124 -6.557 -0.523 38 HB11 AIB 6 HB11 AIB 6 3.529 -7.198 2.940 39 HB12 AIB 6 HB12 AIB 6 4.168 -5.905 1.924 40 HB13 AIB 6 HB13 AIB 6 4.703 -7.567 1.677 41 HB21 AIB 6 HB21 AIB 6 1.567 -8.826 0.315 42 HB22 AIB 6 HB22 AIB 6 1.949 -8.831 2.036 43 HB23 AIB 6 HB23 AIB 6 3.191 -9.246 0.856 44 H LEU 7 HN LEU 7 2.586 -4.640 0.692 45 HA LEU 7 HA LEU 7 0.420 -4.091 2.417 46 HB2 LEU 7 HB2 LEU 7 1.457 -2.460 0.103 47 HB3 LEU 7 HB1 LEU 7 0.377 -1.874 1.347 48 HG LEU 7 HG LEU 7 3.218 -2.795 1.798 49 HD11 LEU 7 HD11 LEU 7 3.689 -0.440 2.201 50 HD12 LEU 7 HD12 LEU 7 2.019 -0.031 1.812 51 HD13 LEU 7 HD13 LEU 7 3.079 -0.686 0.565 52 HD21 LEU 7 HD21 LEU 7 1.207 -1.555 3.671 53 HD22 LEU 7 HD22 LEU 7 2.903 -1.856 4.047 54 HD23 LEU 7 HD23 LEU 7 1.813 -3.209 3.742 55 H LYS 8 HN LYS 8 0.609 -4.602 -1.056 56 HA LYS 8 HA LYS 8 -2.032 -3.904 -1.689 57 HB2 LYS 8 HB2 LYS 8 -0.136 -4.200 -3.303 58 HB3 LYS 8 HB1 LYS 8 -0.297 -5.936 -3.097 59 HG2 LYS 8 HG2 LYS 8 -2.527 -5.875 -4.031 60 HG3 LYS 8 HG1 LYS 8 -2.447 -4.115 -4.157 61 HD2 LYS 8 HD2 LYS 8 -0.485 -4.368 -5.662 62 HD3 LYS 8 HD1 LYS 8 -0.721 -6.115 -5.613 63 HE2 LYS 8 HE2 LYS 8 -2.765 -4.119 -6.576 64 HE3 LYS 8 HE1 LYS 8 -1.697 -5.049 -7.623 65 HZ1 LYS 8 HZ1 LYS 8 -3.869 -6.069 -7.468 66 HZ2 LYS 8 HZ2 LYS 8 -3.740 -6.174 -5.787 67 HZ3 LYS 8 HZ3 LYS 8 -2.706 -7.078 -6.771 68 H AIB 9 HN AIB 9 -0.562 -7.054 -1.005 69 HB11 AIB 9 HB11 AIB 9 -0.560 -9.534 -1.096 70 HB12 AIB 9 HB12 AIB 9 -1.596 -10.280 0.121 71 HB13 AIB 9 HB13 AIB 9 -0.454 -9.021 0.588 72 HB21 AIB 9 HB21 AIB 9 -3.695 -9.674 -1.077 73 HB22 AIB 9 HB22 AIB 9 -2.551 -9.217 -2.339 74 HB23 AIB 9 HB23 AIB 9 -3.791 -8.080 -1.823 75 H ARG 10 HN ARG 10 -1.419 -6.830 1.446 76 HA ARG 10 HA ARG 10 -3.019 -7.745 3.559 77 HB2 ARG 10 HB2 ARG 10 -0.912 -6.522 3.865 78 HB3 ARG 10 HB1 ARG 10 -1.647 -5.074 3.193 79 HG2 ARG 10 HG2 ARG 10 -3.183 -4.961 5.067 80 HG3 ARG 10 HG1 ARG 10 -2.496 -6.442 5.738 81 HD2 ARG 10 HD2 ARG 10 -1.062 -3.818 5.312 82 HD3 ARG 10 HD1 ARG 10 -1.560 -4.500 6.861 83 HE ARG 10 HE ARG 10 0.067 -6.384 5.617 84 HH11 ARG 10 HH11 ARG 10 2.066 -3.336 7.301 85 HH12 ARG 10 HH12 ARG 10 0.377 -3.152 6.952 86 HH21 ARG 10 HH21 ARG 10 2.267 -6.621 6.089 87 HH22 ARG 10 HH22 ARG 10 3.145 -5.306 6.807 88 H TYR 11 HN TYR 11 -3.364 -4.979 1.396 89 HA TYR 11 HA TYR 11 -5.938 -4.319 2.624 90 HB2 TYR 11 HB2 TYR 11 -4.183 -2.803 0.684 91 HB3 TYR 11 HB1 TYR 11 -5.726 -2.222 1.293 92 HD1 TYR 11 HD1 TYR 11 -5.953 -2.045 3.873 93 HD2 TYR 11 HD2 TYR 11 -2.227 -2.305 1.839 94 HE1 TYR 11 HE1 TYR 11 -4.824 -1.087 5.833 95 HE2 TYR 11 HE2 TYR 11 -1.088 -1.346 3.792 96 HH TYR 11 HH TYR 11 -1.646 0.072 5.748 97 H AIB 12 HN AIB 12 -6.190 -6.590 1.357 98 HB11 AIB 12 HB11 AIB 12 -8.105 -8.183 0.776 99 HB12 AIB 12 HB12 AIB 12 -6.548 -8.673 0.110 100 HB13 AIB 12 HB13 AIB 12 -7.985 -8.680 -0.911 101 HB21 AIB 12 HB21 AIB 12 -5.417 -7.263 -1.537 102 HB22 AIB 12 HB22 AIB 12 -6.170 -5.775 -2.102 103 HB23 AIB 12 HB23 AIB 12 -6.872 -7.335 -2.526 104 H GLY 13 HN GLY 13 -8.777 -5.569 1.117 105 HA2 GLY 13 HA2 GLY 13 -10.879 -5.195 -0.896 106 HA3 GLY 13 HA1 GLY 13 -11.109 -5.147 0.843 107 H CYS 14 HN CYS 14 -8.356 -3.459 -0.201 108 HA CYS 14 HA CYS 14 -9.821 -0.918 -0.346 109 HB2 CYS 14 HB2 CYS 14 -7.285 -1.129 1.248 110 HB3 CYS 14 HB1 CYS 14 -8.518 0.115 1.316 111 H GLU 15 HN GLU 15 -7.920 0.849 -0.771 112 HA GLU 15 HA GLU 15 -6.253 -0.240 -2.943 113 HB2 GLU 15 HB2 GLU 15 -7.375 2.550 -2.636 114 HB3 GLU 15 HB1 GLU 15 -6.355 2.001 -3.956 115 HG2 GLU 15 HG2 GLU 15 -8.120 0.351 -4.537 116 HG3 GLU 15 HG1 GLU 15 -9.145 1.099 -3.313 117 HN1 MVA 16 HM1 MEV 16 -4.294 -0.920 -3.271 118 HN2 MVA 16 HM2 MEV 16 -2.991 0.142 -3.806 119 HN3 MVA 16 HM3 MEV 16 -4.670 0.557 -4.154 120 HA MVA 16 HA MEV 16 -3.087 2.154 -0.863 121 HB MVA 16 HB MEV 16 -3.009 0.005 0.235 122 HG11 MVA 16 HG11 MEV 16 -1.505 -1.784 -0.544 123 HG12 MVA 16 HG12 MEV 16 -1.295 -0.911 -2.063 124 HG13 MVA 16 HG13 MEV 16 -2.887 -1.526 -1.609 125 HG21 MVA 16 HG21 MEV 16 -0.265 0.946 -0.572 126 HG22 MVA 16 HG22 MEV 16 -0.653 -0.017 0.853 127 HG23 MVA 16 HG23 MEV 16 -1.264 1.632 0.708 128 H ARG 17 HN ARG 17 -1.961 3.619 -1.774 129 HA ARG 17 HA ARG 17 -0.373 3.097 -4.158 130 HB2 ARG 17 HB2 ARG 17 -0.699 5.668 -2.607 131 HB3 ARG 17 HB1 ARG 17 -0.008 5.495 -4.210 132 HG2 ARG 17 HG2 ARG 17 -2.142 4.900 -5.127 133 HG3 ARG 17 HG1 ARG 17 -2.870 4.880 -3.518 134 HD2 ARG 17 HD2 ARG 17 -2.264 7.294 -3.294 135 HD3 ARG 17 HD1 ARG 17 -1.741 7.268 -4.976 136 HE ARG 17 HE ARG 17 -4.214 6.424 -5.282 137 HH11 ARG 17 HH11 ARG 17 -4.478 9.900 -3.273 138 HH12 ARG 17 HH12 ARG 17 -3.005 8.982 -3.201 139 HH21 ARG 17 HH21 ARG 17 -6.141 7.633 -5.382 140 HH22 ARG 17 HH22 ARG 17 -6.266 9.129 -4.517 141 H CYS 18 HN CYS 18 1.527 2.149 -3.747 142 HA CYS 18 HA CYS 18 2.887 2.615 -1.235 143 HB2 CYS 18 HB2 CYS 18 4.507 0.911 -2.211 144 HB3 CYS 18 HB1 CYS 18 2.864 0.354 -1.921 145 H ASP 19 HN ASP 19 4.610 3.860 -0.918 146 HA ASP 19 HA ASP 19 6.255 4.697 -3.182 147 HB2 ASP 19 HB2 ASP 19 4.474 6.447 -2.739 148 HB3 ASP 19 HB1 ASP 19 5.206 6.683 -1.157 149 HA DPR 20 HA DPR 20 9.692 4.239 -0.355 150 HB2 DPR 20 HB2 DPR 20 10.750 2.312 -0.972 151 HB3 DPR 20 HB1 DPR 20 9.294 1.332 -0.773 152 HG2 DPR 20 HG2 DPR 20 10.106 3.061 -3.079 153 HG3 DPR 20 HG1 DPR 20 9.391 1.437 -3.093 154 HD2 DPR 20 HD2 DPR 20 7.926 3.646 -3.552 155 HD3 DPR 20 HD1 DPR 20 7.256 2.241 -2.697 156 HA PRO 21 HA PRO 21 8.280 2.369 3.493 157 HB2 PRO 21 HB2 PRO 21 8.826 4.461 5.086 158 HB3 PRO 21 HB1 PRO 21 10.101 3.417 4.449 159 HG2 PRO 21 HG2 PRO 21 9.194 6.098 3.484 160 HG3 PRO 21 HG1 PRO 21 10.845 5.485 3.687 161 HD2 PRO 21 HD2 PRO 21 9.562 5.563 1.281 162 HD3 PRO 21 HD1 PRO 21 10.804 4.364 1.682 163 H ARG 22 HN ARG 22 7.025 5.038 1.789 164 HA ARG 22 HA ARG 22 4.893 5.490 3.760 165 HB2 ARG 22 HB2 ARG 22 5.633 7.080 1.293 166 HB3 ARG 22 HB1 ARG 22 4.376 7.507 2.443 167 HG2 ARG 22 HG2 ARG 22 6.050 7.790 4.190 168 HG3 ARG 22 HG1 ARG 22 7.318 7.322 3.056 169 HD2 ARG 22 HD2 ARG 22 7.250 9.735 3.257 170 HD3 ARG 22 HD1 ARG 22 6.740 9.252 1.640 171 HE ARG 22 HE ARG 22 4.647 9.740 3.615 172 HH11 ARG 22 HH11 ARG 22 6.444 10.891 0.838 173 HH12 ARG 22 HH12 ARG 22 5.277 12.112 0.435 174 HH21 ARG 22 HH21 ARG 22 3.387 12.368 1.705 175 HH22 ARG 22 HH22 ARG 22 3.109 11.340 3.075 176 H TYR 23 HN TYR 23 2.688 5.496 3.056 177 HA TYR 23 HA TYR 23 2.064 4.779 0.356 178 HB2 TYR 23 HB2 TYR 23 0.899 2.698 0.839 179 HB3 TYR 23 HB1 TYR 23 2.599 2.567 1.250 180 HD1 TYR 23 HD1 TYR 23 -0.808 2.529 2.515 181 HD2 TYR 23 HD2 TYR 23 3.301 2.464 3.608 182 HE1 TYR 23 HE1 TYR 23 -1.424 1.791 4.777 183 HE2 TYR 23 HE2 TYR 23 2.697 1.727 5.869 184 HH TYR 23 HH TYR 23 -0.375 0.591 6.681 185 H GLU 24 HN GLU 24 -0.109 4.986 -0.153 186 HA GLU 24 HA GLU 24 -1.743 6.296 1.917 187 HB2 GLU 24 HB2 GLU 24 -1.987 6.457 -1.094 188 HB3 GLU 24 HB1 GLU 24 -3.037 7.265 0.054 189 HG2 GLU 24 HG2 GLU 24 -0.971 8.445 0.907 190 HG3 GLU 24 HG1 GLU 24 -0.149 7.816 -0.522 191 HN1 MVA 25 HM1 MEV 25 -3.741 6.676 2.344 192 HN2 MVA 25 HM2 MEV 25 -2.921 5.610 3.485 193 HN3 MVA 25 HM3 MEV 25 -4.681 5.584 3.358 194 HA MVA 25 HA MEV 25 -4.608 3.124 0.716 195 HB MVA 25 HB MEV 25 -3.372 1.996 2.452 196 HG11 MVA 25 HG11 MEV 25 -5.220 3.344 4.408 197 HG12 MVA 25 HG12 MEV 25 -3.474 3.555 4.279 198 HG13 MVA 25 HG13 MEV 25 -4.140 2.005 4.795 199 HG21 MVA 25 HG21 MEV 25 -6.356 1.677 2.705 200 HG22 MVA 25 HG22 MEV 25 -5.162 0.503 3.261 201 HG23 MVA 25 HG23 MEV 25 -5.297 0.875 1.543 202 H HIS 26 HN HIS 26 -6.509 3.407 0.051 203 HA HIS 26 HA HIS 26 -8.465 4.835 1.731 204 HB2 HIS 26 HB2 HIS 26 -8.271 4.481 -1.257 205 HB3 HIS 26 HB1 HIS 26 -9.728 5.061 -0.472 206 HD1 HIS 26 HD1 HIS 26 -9.896 7.507 -0.196 207 HD2 HIS 26 HD2 HIS 26 -5.966 6.277 -0.737 208 HE1 HIS 26 HE1 HIS 26 -8.551 9.619 -0.372 209 HE2 HIS 26 HE2 HIS 26 -6.158 8.846 -0.483 210 H CYS 27 HN CYS 27 -10.281 3.770 2.361 211 HA CYS 27 HA CYS 27 -10.949 1.259 1.043 212 HB2 CYS 27 HB2 CYS 27 -9.343 0.990 3.090 213 HB3 CYS 27 HB1 CYS 27 -10.799 1.284 4.030 214 HN1 NH2 28 HN1 NH2 28 -12.692 2.626 0.346 215 HN2 NH2 28 HN2 NH2 28 -14.030 2.931 1.395 Start of MODEL 9 1 H1 ASN 1 HT1 ASN 1 11.156 -10.585 -1.282 2 H2 ASN 1 HT2 ASN 1 10.881 -11.612 0.033 3 H3 ASN 1 HT3 ASN 1 11.469 -10.046 0.289 4 HA ASN 1 HA ASN 1 8.814 -10.729 -0.820 5 HB2 ASN 1 HB2 ASN 1 7.903 -10.002 1.294 6 HB3 ASN 1 HB1 ASN 1 9.137 -11.209 1.629 7 HD21 ASN 1 HD21 ASN 1 8.119 -7.990 2.102 8 HD22 ASN 1 HD22 ASN 1 9.461 -7.460 3.057 9 H ASP 2 HN ASP 2 7.484 -8.889 -1.255 10 HA ASP 2 HA ASP 2 9.075 -6.467 -1.781 11 HB2 ASP 2 HB2 ASP 2 8.293 -7.571 -3.820 12 HB3 ASP 2 HB1 ASP 2 6.634 -7.491 -3.238 13 H AIB 3 HN AIB 3 8.441 -4.559 -1.036 14 HB11 AIB 3 HB11 AIB 3 7.664 -2.187 -0.789 15 HB12 AIB 3 HB12 AIB 3 8.513 -2.725 0.660 16 HB13 AIB 3 HB13 AIB 3 6.973 -1.878 0.804 17 HB21 AIB 3 HB21 AIB 3 6.138 -3.710 2.173 18 HB22 AIB 3 HB22 AIB 3 7.685 -4.537 1.993 19 HB23 AIB 3 HB23 AIB 3 6.188 -5.369 1.576 20 H CYS 4 HN CYS 4 6.203 -3.239 -2.242 21 HA CYS 4 HA CYS 4 3.632 -2.187 -1.758 22 HB2 CYS 4 HB2 CYS 4 4.912 -3.065 -4.344 23 HB3 CYS 4 HB1 CYS 4 3.407 -2.168 -4.234 24 H LYS 5 HN LYS 5 4.714 -5.331 -2.974 25 HA LYS 5 HA LYS 5 2.143 -6.332 -3.554 26 HB2 LYS 5 HB2 LYS 5 4.235 -7.367 -4.370 27 HB3 LYS 5 HB1 LYS 5 4.611 -7.872 -2.728 28 HG2 LYS 5 HG2 LYS 5 2.666 -9.312 -2.684 29 HG3 LYS 5 HG1 LYS 5 2.192 -8.758 -4.291 30 HD2 LYS 5 HD2 LYS 5 4.253 -9.687 -5.223 31 HD3 LYS 5 HD1 LYS 5 4.737 -10.229 -3.615 32 HE2 LYS 5 HE2 LYS 5 2.259 -11.123 -5.084 33 HE3 LYS 5 HE1 LYS 5 3.757 -12.043 -4.969 34 HZ1 LYS 5 HZ1 LYS 5 2.156 -12.802 -3.351 35 HZ2 LYS 5 HZ2 LYS 5 2.024 -11.252 -2.694 36 HZ3 LYS 5 HZ3 LYS 5 3.479 -12.102 -2.562 37 H AIB 6 HN AIB 6 4.130 -6.449 -0.635 38 HB11 AIB 6 HB11 AIB 6 3.665 -7.070 2.854 39 HB12 AIB 6 HB12 AIB 6 4.164 -5.709 1.852 40 HB13 AIB 6 HB13 AIB 6 4.811 -7.317 1.539 41 HB21 AIB 6 HB21 AIB 6 2.086 -8.685 2.073 42 HB22 AIB 6 HB22 AIB 6 3.266 -9.123 0.839 43 HB23 AIB 6 HB23 AIB 6 1.611 -8.737 0.376 44 H LEU 7 HN LEU 7 2.564 -4.566 0.466 45 HA LEU 7 HA LEU 7 0.526 -3.939 2.317 46 HB2 LEU 7 HB2 LEU 7 1.399 -2.416 -0.134 47 HB3 LEU 7 HB1 LEU 7 0.422 -1.774 1.169 48 HG LEU 7 HG LEU 7 3.272 -2.730 1.460 49 HD11 LEU 7 HD11 LEU 7 3.797 -0.348 1.725 50 HD12 LEU 7 HD12 LEU 7 2.126 0.048 1.329 51 HD13 LEU 7 HD13 LEU 7 3.159 -0.714 0.122 52 HD21 LEU 7 HD21 LEU 7 3.128 -1.630 3.662 53 HD22 LEU 7 HD22 LEU 7 2.021 -2.994 3.515 54 HD23 LEU 7 HD23 LEU 7 1.410 -1.346 3.385 55 H LYS 8 HN LYS 8 0.496 -4.603 -1.147 56 HA LYS 8 HA LYS 8 -2.216 -4.046 -1.582 57 HB2 LYS 8 HB2 LYS 8 -0.568 -4.364 -3.394 58 HB3 LYS 8 HB1 LYS 8 -0.489 -6.077 -3.003 59 HG2 LYS 8 HG2 LYS 8 -2.850 -6.323 -3.578 60 HG3 LYS 8 HG1 LYS 8 -2.934 -4.604 -3.964 61 HD2 LYS 8 HD2 LYS 8 -2.688 -5.882 -5.997 62 HD3 LYS 8 HD1 LYS 8 -1.223 -4.942 -5.709 63 HE2 LYS 8 HE2 LYS 8 -0.154 -6.946 -4.758 64 HE3 LYS 8 HE1 LYS 8 -1.614 -7.872 -5.103 65 HZ1 LYS 8 HZ1 LYS 8 0.138 -6.550 -7.103 66 HZ2 LYS 8 HZ2 LYS 8 -1.299 -7.371 -7.461 67 HZ3 LYS 8 HZ3 LYS 8 0.018 -8.212 -6.818 68 H AIB 9 HN AIB 9 -0.589 -7.127 -0.865 69 HB11 AIB 9 HB11 AIB 9 -0.531 -9.590 -0.756 70 HB12 AIB 9 HB12 AIB 9 -1.476 -10.287 0.557 71 HB13 AIB 9 HB13 AIB 9 -0.333 -8.988 0.890 72 HB21 AIB 9 HB21 AIB 9 -3.562 -9.871 -0.548 73 HB22 AIB 9 HB22 AIB 9 -2.654 -9.261 -1.931 74 HB23 AIB 9 HB23 AIB 9 -3.931 -8.280 -1.215 75 H ARG 10 HN ARG 10 -1.360 -6.633 1.601 76 HA ARG 10 HA ARG 10 -2.877 -7.459 3.857 77 HB2 ARG 10 HB2 ARG 10 -0.661 -6.244 3.876 78 HB3 ARG 10 HB1 ARG 10 -1.534 -4.791 3.422 79 HG2 ARG 10 HG2 ARG 10 -2.826 -4.915 5.484 80 HG3 ARG 10 HG1 ARG 10 -1.955 -6.379 5.944 81 HD2 ARG 10 HD2 ARG 10 -0.798 -3.619 5.557 82 HD3 ARG 10 HD1 ARG 10 -0.980 -4.486 7.080 83 HE ARG 10 HE ARG 10 0.583 -6.130 5.562 84 HH11 ARG 10 HH11 ARG 10 2.552 -2.769 6.556 85 HH12 ARG 10 HH12 ARG 10 0.818 -2.795 6.621 86 HH21 ARG 10 HH21 ARG 10 2.868 -6.091 5.501 87 HH22 ARG 10 HH22 ARG 10 3.713 -4.638 5.939 88 H TYR 11 HN TYR 11 -3.370 -5.122 1.303 89 HA TYR 11 HA TYR 11 -5.885 -4.273 2.594 90 HB2 TYR 11 HB2 TYR 11 -4.013 -2.621 0.890 91 HB3 TYR 11 HB1 TYR 11 -5.553 -2.071 1.538 92 HD1 TYR 11 HD1 TYR 11 -5.794 -2.275 4.151 93 HD2 TYR 11 HD2 TYR 11 -2.086 -2.159 2.071 94 HE1 TYR 11 HE1 TYR 11 -4.674 -1.537 6.206 95 HE2 TYR 11 HE2 TYR 11 -0.950 -1.419 4.122 96 HH TYR 11 HH TYR 11 -1.586 -0.225 6.250 97 H AIB 12 HN AIB 12 -5.788 -6.455 0.848 98 HB11 AIB 12 HB11 AIB 12 -5.977 -8.214 -0.824 99 HB12 AIB 12 HB12 AIB 12 -7.404 -8.141 -1.856 100 HB13 AIB 12 HB13 AIB 12 -7.579 -8.070 -0.105 101 HB21 AIB 12 HB21 AIB 12 -5.999 -4.850 -2.332 102 HB22 AIB 12 HB22 AIB 12 -6.568 -6.331 -3.105 103 HB23 AIB 12 HB23 AIB 12 -5.072 -6.342 -2.171 104 H GLY 13 HN GLY 13 -8.369 -5.569 0.923 105 HA2 GLY 13 HA2 GLY 13 -10.728 -5.175 -0.736 106 HA3 GLY 13 HA1 GLY 13 -10.676 -5.151 1.018 107 H CYS 14 HN CYS 14 -8.240 -3.289 -0.425 108 HA CYS 14 HA CYS 14 -9.832 -0.842 -0.488 109 HB2 CYS 14 HB2 CYS 14 -7.348 -1.127 1.217 110 HB3 CYS 14 HB1 CYS 14 -8.317 0.326 1.031 111 H GLU 15 HN GLU 15 -8.232 1.039 -1.125 112 HA GLU 15 HA GLU 15 -6.476 0.040 -3.245 113 HB2 GLU 15 HB2 GLU 15 -7.681 2.754 -2.706 114 HB3 GLU 15 HB1 GLU 15 -6.457 2.481 -3.938 115 HG2 GLU 15 HG2 GLU 15 -9.124 1.098 -3.845 116 HG3 GLU 15 HG1 GLU 15 -8.761 2.524 -4.815 117 HN1 MVA 16 HM1 MEV 16 -3.193 0.071 -3.960 118 HN2 MVA 16 HM2 MEV 16 -4.814 0.640 -4.358 119 HN3 MVA 16 HM3 MEV 16 -4.601 -0.858 -3.449 120 HA MVA 16 HA MEV 16 -3.213 2.102 -0.995 121 HB MVA 16 HB MEV 16 -3.253 -0.151 -0.046 122 HG11 MVA 16 HG11 MEV 16 -2.986 -1.532 -2.004 123 HG12 MVA 16 HG12 MEV 16 -1.702 -1.876 -0.843 124 HG13 MVA 16 HG13 MEV 16 -1.362 -0.891 -2.267 125 HG21 MVA 16 HG21 MEV 16 -0.494 0.920 -0.602 126 HG22 MVA 16 HG22 MEV 16 -0.910 -0.212 0.685 127 HG23 MVA 16 HG23 MEV 16 -1.577 1.421 0.696 128 H ARG 17 HN ARG 17 -1.963 3.537 -1.768 129 HA ARG 17 HA ARG 17 -0.358 3.002 -4.164 130 HB2 ARG 17 HB2 ARG 17 -0.873 5.628 -2.755 131 HB3 ARG 17 HB1 ARG 17 -0.076 5.418 -4.305 132 HG2 ARG 17 HG2 ARG 17 -2.139 4.641 -5.299 133 HG3 ARG 17 HG1 ARG 17 -2.955 4.744 -3.738 134 HD2 ARG 17 HD2 ARG 17 -2.472 7.176 -3.694 135 HD3 ARG 17 HD1 ARG 17 -1.773 7.039 -5.305 136 HE ARG 17 HE ARG 17 -4.364 6.001 -5.407 137 HH11 ARG 17 HH11 ARG 17 -4.104 10.010 -5.445 138 HH12 ARG 17 HH12 ARG 17 -2.791 9.068 -4.816 139 HH21 ARG 17 HH21 ARG 17 -6.111 7.232 -6.221 140 HH22 ARG 17 HH22 ARG 17 -5.999 8.963 -6.248 141 H CYS 18 HN CYS 18 1.531 2.080 -3.561 142 HA CYS 18 HA CYS 18 2.757 2.769 -1.054 143 HB2 CYS 18 HB2 CYS 18 4.513 1.149 -1.714 144 HB3 CYS 18 HB1 CYS 18 2.892 0.469 -1.777 145 H ASP 19 HN ASP 19 4.248 4.210 -0.685 146 HA ASP 19 HA ASP 19 5.726 5.390 -2.934 147 HB2 ASP 19 HB2 ASP 19 3.961 6.936 -2.093 148 HB3 ASP 19 HB1 ASP 19 4.692 6.855 -0.495 149 HA DPR 20 HA DPR 20 9.429 4.864 -0.452 150 HB2 DPR 20 HB2 DPR 20 10.809 3.677 -1.809 151 HB3 DPR 20 HB1 DPR 20 9.683 2.324 -1.912 152 HG2 DPR 20 HG2 DPR 20 9.793 4.823 -3.541 153 HG3 DPR 20 HG1 DPR 20 9.416 3.166 -4.049 154 HD2 DPR 20 HD2 DPR 20 7.500 5.019 -3.688 155 HD3 DPR 20 HD1 DPR 20 7.227 3.307 -3.308 156 HA PRO 21 HA PRO 21 8.485 1.344 2.244 157 HB2 PRO 21 HB2 PRO 21 9.187 2.505 4.542 158 HB3 PRO 21 HB1 PRO 21 10.407 1.956 3.387 159 HG2 PRO 21 HG2 PRO 21 9.357 4.718 3.860 160 HG3 PRO 21 HG1 PRO 21 11.029 4.187 3.609 161 HD2 PRO 21 HD2 PRO 21 9.450 5.267 1.637 162 HD3 PRO 21 HD1 PRO 21 10.806 4.168 1.329 163 H ARG 22 HN ARG 22 7.029 4.332 1.800 164 HA ARG 22 HA ARG 22 5.093 3.925 3.974 165 HB2 ARG 22 HB2 ARG 22 5.687 6.361 2.287 166 HB3 ARG 22 HB1 ARG 22 4.412 6.277 3.496 167 HG2 ARG 22 HG2 ARG 22 6.094 5.848 5.226 168 HG3 ARG 22 HG1 ARG 22 7.363 5.978 4.007 169 HD2 ARG 22 HD2 ARG 22 6.717 8.287 3.566 170 HD3 ARG 22 HD1 ARG 22 5.414 8.160 4.748 171 HE ARG 22 HE ARG 22 8.003 7.551 5.841 172 HH11 ARG 22 HH11 ARG 22 5.783 10.141 5.049 173 HH12 ARG 22 HH12 ARG 22 6.424 11.225 6.238 174 HH21 ARG 22 HH21 ARG 22 8.171 10.568 7.576 175 HH22 ARG 22 HH22 ARG 22 8.853 8.983 7.406 176 H TYR 23 HN TYR 23 2.796 4.749 3.277 177 HA TYR 23 HA TYR 23 2.126 4.258 0.529 178 HB2 TYR 23 HB2 TYR 23 0.689 2.316 0.947 179 HB3 TYR 23 HB1 TYR 23 2.376 1.967 1.297 180 HD1 TYR 23 HD1 TYR 23 -0.976 2.216 2.647 181 HD2 TYR 23 HD2 TYR 23 3.131 1.766 3.649 182 HE1 TYR 23 HE1 TYR 23 -1.615 1.444 4.891 183 HE2 TYR 23 HE2 TYR 23 2.505 0.993 5.894 184 HH TYR 23 HH TYR 23 0.597 1.206 7.451 185 H GLU 24 HN GLU 24 0.018 4.714 0.006 186 HA GLU 24 HA GLU 24 -1.625 5.969 2.094 187 HB2 GLU 24 HB2 GLU 24 -1.421 6.336 -0.879 188 HB3 GLU 24 HB1 GLU 24 -2.907 6.755 -0.045 189 HG2 GLU 24 HG2 GLU 24 -0.238 7.853 0.758 190 HG3 GLU 24 HG1 GLU 24 -1.272 8.628 -0.442 191 HN1 MVA 25 HM1 MEV 25 -2.848 5.219 3.629 192 HN2 MVA 25 HM2 MEV 25 -4.603 5.241 3.465 193 HN3 MVA 25 HM3 MEV 25 -3.613 6.351 2.515 194 HA MVA 25 HA MEV 25 -4.561 2.906 0.726 195 HB MVA 25 HB MEV 25 -3.343 1.629 2.354 196 HG11 MVA 25 HG11 MEV 25 -5.071 2.933 4.445 197 HG12 MVA 25 HG12 MEV 25 -3.324 3.092 4.262 198 HG13 MVA 25 HG13 MEV 25 -4.026 1.539 4.718 199 HG21 MVA 25 HG21 MEV 25 -5.365 0.664 1.445 200 HG22 MVA 25 HG22 MEV 25 -6.324 1.404 2.728 201 HG23 MVA 25 HG23 MEV 25 -5.145 0.150 3.118 202 H HIS 26 HN HIS 26 -6.420 3.419 0.062 203 HA HIS 26 HA HIS 26 -8.357 4.603 1.936 204 HB2 HIS 26 HB2 HIS 26 -7.955 5.225 -0.995 205 HB3 HIS 26 HB1 HIS 26 -9.305 5.810 -0.037 206 HD1 HIS 26 HD1 HIS 26 -8.971 8.077 0.913 207 HD2 HIS 26 HD2 HIS 26 -5.361 6.143 0.211 208 HE1 HIS 26 HE1 HIS 26 -7.182 9.747 1.494 209 HE2 HIS 26 HE2 HIS 26 -5.000 8.535 1.126 210 H CYS 27 HN CYS 27 -10.037 3.323 2.260 211 HA CYS 27 HA CYS 27 -10.484 1.078 0.480 212 HB2 CYS 27 HB2 CYS 27 -11.867 1.768 3.071 213 HB3 CYS 27 HB1 CYS 27 -11.925 0.226 2.227 214 HN1 NH2 28 HN1 NH2 28 -11.341 2.144 -1.313 215 HN2 NH2 28 HN2 NH2 28 -12.943 2.793 -1.316 Start of MODEL 10 1 H1 ASN 1 HT1 ASN 1 11.928 -10.285 -0.841 2 H2 ASN 1 HT2 ASN 1 12.325 -8.788 -1.518 3 H3 ASN 1 HT3 ASN 1 11.149 -9.753 -2.246 4 HA ASN 1 HA ASN 1 9.703 -9.501 -0.352 5 HB2 ASN 1 HB2 ASN 1 11.612 -9.215 1.280 6 HB3 ASN 1 HB1 ASN 1 11.791 -7.568 0.688 7 HD21 ASN 1 HD21 ASN 1 11.145 -8.564 3.353 8 HD22 ASN 1 HD22 ASN 1 9.641 -7.832 3.786 9 H ASP 2 HN ASP 2 8.148 -8.414 -1.346 10 HA ASP 2 HA ASP 2 8.804 -5.832 -2.595 11 HB2 ASP 2 HB2 ASP 2 6.566 -7.769 -3.222 12 HB3 ASP 2 HB1 ASP 2 6.759 -6.192 -3.972 13 H AIB 3 HN AIB 3 8.402 -4.344 -1.097 14 HB11 AIB 3 HB11 AIB 3 7.532 -2.019 -0.528 15 HB12 AIB 3 HB12 AIB 3 8.426 -2.753 0.804 16 HB13 AIB 3 HB13 AIB 3 6.866 -1.986 1.104 17 HB21 AIB 3 HB21 AIB 3 7.655 -4.781 1.850 18 HB22 AIB 3 HB22 AIB 3 6.175 -5.576 1.316 19 HB23 AIB 3 HB23 AIB 3 6.088 -4.035 2.168 20 H CYS 4 HN CYS 4 6.122 -3.088 -2.173 21 HA CYS 4 HA CYS 4 3.533 -2.103 -1.677 22 HB2 CYS 4 HB2 CYS 4 5.025 -1.424 -3.574 23 HB3 CYS 4 HB1 CYS 4 4.653 -2.960 -4.345 24 H LYS 5 HN LYS 5 4.695 -5.226 -2.786 25 HA LYS 5 HA LYS 5 2.153 -6.232 -3.560 26 HB2 LYS 5 HB2 LYS 5 4.311 -7.223 -4.312 27 HB3 LYS 5 HB1 LYS 5 4.591 -7.786 -2.671 28 HG2 LYS 5 HG2 LYS 5 2.454 -9.092 -2.856 29 HG3 LYS 5 HG1 LYS 5 2.430 -8.670 -4.569 30 HD2 LYS 5 HD2 LYS 5 3.412 -10.847 -4.335 31 HD3 LYS 5 HD1 LYS 5 4.681 -9.709 -4.792 32 HE2 LYS 5 HE2 LYS 5 5.457 -9.590 -2.509 33 HE3 LYS 5 HE1 LYS 5 4.113 -10.592 -1.965 34 HZ1 LYS 5 HZ1 LYS 5 6.334 -11.436 -3.743 35 HZ2 LYS 5 HZ2 LYS 5 5.011 -12.403 -3.335 36 HZ3 LYS 5 HZ3 LYS 5 6.094 -11.909 -2.139 37 H AIB 6 HN AIB 6 4.115 -6.510 -0.633 38 HB11 AIB 6 HB11 AIB 6 3.615 -7.248 2.828 39 HB12 AIB 6 HB12 AIB 6 4.190 -5.898 1.851 40 HB13 AIB 6 HB13 AIB 6 4.761 -7.534 1.519 41 HB21 AIB 6 HB21 AIB 6 3.230 -9.228 0.713 42 HB22 AIB 6 HB22 AIB 6 1.589 -8.810 0.224 43 HB23 AIB 6 HB23 AIB 6 2.016 -8.848 1.934 44 H LEU 7 HN LEU 7 2.556 -4.638 0.599 45 HA LEU 7 HA LEU 7 0.483 -4.121 2.445 46 HB2 LEU 7 HB2 LEU 7 1.442 -2.458 0.121 47 HB3 LEU 7 HB1 LEU 7 0.394 -1.885 1.402 48 HG LEU 7 HG LEU 7 3.213 -2.876 1.837 49 HD11 LEU 7 HD11 LEU 7 3.775 -0.509 2.150 50 HD12 LEU 7 HD12 LEU 7 2.138 -0.065 1.663 51 HD13 LEU 7 HD13 LEU 7 3.224 -0.839 0.508 52 HD21 LEU 7 HD21 LEU 7 1.807 -3.123 3.795 53 HD22 LEU 7 HD22 LEU 7 1.251 -1.459 3.634 54 HD23 LEU 7 HD23 LEU 7 2.935 -1.789 4.033 55 H LYS 8 HN LYS 8 0.503 -4.489 -1.070 56 HA LYS 8 HA LYS 8 -2.181 -3.840 -1.530 57 HB2 LYS 8 HB2 LYS 8 -0.570 -4.014 -3.344 58 HB3 LYS 8 HB1 LYS 8 -0.363 -5.731 -3.034 59 HG2 LYS 8 HG2 LYS 8 -2.680 -6.132 -3.683 60 HG3 LYS 8 HG1 LYS 8 -2.895 -4.407 -3.989 61 HD2 LYS 8 HD2 LYS 8 -1.169 -4.497 -5.716 62 HD3 LYS 8 HD1 LYS 8 -0.935 -6.217 -5.400 63 HE2 LYS 8 HE2 LYS 8 -3.519 -4.968 -6.330 64 HE3 LYS 8 HE1 LYS 8 -2.353 -5.769 -7.380 65 HZ1 LYS 8 HZ1 LYS 8 -4.146 -7.253 -6.782 66 HZ2 LYS 8 HZ2 LYS 8 -3.825 -7.041 -5.137 67 HZ3 LYS 8 HZ3 LYS 8 -2.692 -7.810 -6.128 68 H AIB 9 HN AIB 9 -0.641 -6.965 -0.957 69 HB11 AIB 9 HB11 AIB 9 -1.561 -10.259 0.010 70 HB12 AIB 9 HB12 AIB 9 -0.426 -9.014 0.520 71 HB13 AIB 9 HB13 AIB 9 -0.601 -9.401 -1.191 72 HB21 AIB 9 HB21 AIB 9 -4.002 -8.043 -1.517 73 HB22 AIB 9 HB22 AIB 9 -3.662 -9.698 -1.012 74 HB23 AIB 9 HB23 AIB 9 -2.736 -8.967 -2.322 75 H ARG 10 HN ARG 10 -1.383 -6.810 1.518 76 HA ARG 10 HA ARG 10 -2.849 -7.893 3.671 77 HB2 ARG 10 HB2 ARG 10 -0.696 -6.684 3.878 78 HB3 ARG 10 HB1 ARG 10 -1.512 -5.192 3.444 79 HG2 ARG 10 HG2 ARG 10 -2.845 -5.292 5.451 80 HG3 ARG 10 HG1 ARG 10 -2.135 -6.851 5.877 81 HD2 ARG 10 HD2 ARG 10 -0.678 -4.220 5.632 82 HD3 ARG 10 HD1 ARG 10 -1.061 -5.065 7.131 83 HE ARG 10 HE ARG 10 0.383 -6.899 5.772 84 HH11 ARG 10 HH11 ARG 10 2.698 -3.714 6.576 85 HH12 ARG 10 HH12 ARG 10 0.971 -3.538 6.555 86 HH21 ARG 10 HH21 ARG 10 2.645 -7.137 5.808 87 HH22 ARG 10 HH22 ARG 10 3.648 -5.764 6.157 88 H TYR 11 HN TYR 11 -3.268 -4.937 1.771 89 HA TYR 11 HA TYR 11 -5.758 -4.342 3.145 90 HB2 TYR 11 HB2 TYR 11 -4.161 -2.863 1.052 91 HB3 TYR 11 HB1 TYR 11 -5.713 -2.299 1.661 92 HD1 TYR 11 HD1 TYR 11 -5.944 -1.598 4.008 93 HD2 TYR 11 HD2 TYR 11 -2.167 -2.682 2.384 94 HE1 TYR 11 HE1 TYR 11 -4.828 -0.561 5.930 95 HE2 TYR 11 HE2 TYR 11 -1.038 -1.646 4.304 96 HH TYR 11 HH TYR 11 -2.730 -0.694 7.128 97 H AIB 12 HN AIB 12 -6.367 -6.527 2.208 98 HB11 AIB 12 HB11 AIB 12 -6.988 -8.724 1.366 99 HB12 AIB 12 HB12 AIB 12 -8.410 -8.758 0.324 100 HB13 AIB 12 HB13 AIB 12 -8.485 -7.954 1.892 101 HB21 AIB 12 HB21 AIB 12 -5.718 -7.801 -0.489 102 HB22 AIB 12 HB22 AIB 12 -6.255 -6.334 -1.306 103 HB23 AIB 12 HB23 AIB 12 -7.168 -7.831 -1.491 104 H GLY 13 HN GLY 13 -8.760 -5.148 1.716 105 HA2 GLY 13 HA2 GLY 13 -10.815 -4.928 -0.388 106 HA3 GLY 13 HA1 GLY 13 -11.121 -4.718 1.326 107 H CYS 14 HN CYS 14 -8.224 -3.291 0.147 108 HA CYS 14 HA CYS 14 -9.546 -0.711 -0.247 109 HB2 CYS 14 HB2 CYS 14 -7.259 -1.062 1.693 110 HB3 CYS 14 HB1 CYS 14 -8.116 0.428 1.339 111 H GLU 15 HN GLU 15 -8.275 0.820 -1.372 112 HA GLU 15 HA GLU 15 -6.210 -0.322 -3.046 113 HB2 GLU 15 HB2 GLU 15 -7.350 2.477 -2.885 114 HB3 GLU 15 HB1 GLU 15 -6.173 1.950 -4.079 115 HG2 GLU 15 HG2 GLU 15 -7.771 0.354 -4.970 116 HG3 GLU 15 HG1 GLU 15 -8.949 0.841 -3.754 117 HN1 MVA 16 HM1 MEV 16 -4.575 0.614 -4.226 118 HN2 MVA 16 HM2 MEV 16 -4.161 -0.881 -3.387 119 HN3 MVA 16 HM3 MEV 16 -2.894 0.261 -3.835 120 HA MVA 16 HA MEV 16 -3.170 2.178 -0.861 121 HB MVA 16 HB MEV 16 -3.122 0.101 0.313 122 HG11 MVA 16 HG11 MEV 16 -1.716 -1.790 -0.375 123 HG12 MVA 16 HG12 MEV 16 -1.417 -0.984 -1.915 124 HG13 MVA 16 HG13 MEV 16 -3.051 -1.493 -1.488 125 HG21 MVA 16 HG21 MEV 16 -1.295 1.680 0.712 126 HG22 MVA 16 HG22 MEV 16 -0.319 0.846 -0.498 127 HG23 MVA 16 HG23 MEV 16 -0.795 0.010 0.983 128 H ARG 17 HN ARG 17 -2.069 3.655 -1.802 129 HA ARG 17 HA ARG 17 -0.402 3.136 -4.102 130 HB2 ARG 17 HB2 ARG 17 -0.516 5.695 -2.514 131 HB3 ARG 17 HB1 ARG 17 -0.064 5.488 -4.198 132 HG2 ARG 17 HG2 ARG 17 -2.809 5.206 -3.010 133 HG3 ARG 17 HG1 ARG 17 -2.233 6.491 -4.072 134 HD2 ARG 17 HD2 ARG 17 -1.998 4.939 -5.903 135 HD3 ARG 17 HD1 ARG 17 -2.374 3.579 -4.847 136 HE ARG 17 HE ARG 17 -4.427 5.614 -5.026 137 HH11 ARG 17 HH11 ARG 17 -4.753 2.090 -6.926 138 HH12 ARG 17 HH12 ARG 17 -3.207 2.595 -6.315 139 HH21 ARG 17 HH21 ARG 17 -6.441 4.966 -5.829 140 HH22 ARG 17 HH22 ARG 17 -6.603 3.438 -6.641 141 H CYS 18 HN CYS 18 1.584 2.388 -3.892 142 HA CYS 18 HA CYS 18 2.821 2.475 -1.254 143 HB2 CYS 18 HB2 CYS 18 4.347 0.732 -2.316 144 HB3 CYS 18 HB1 CYS 18 2.659 0.275 -2.098 145 H ASP 19 HN ASP 19 4.613 3.535 -0.809 146 HA ASP 19 HA ASP 19 6.386 4.380 -2.980 147 HB2 ASP 19 HB2 ASP 19 4.933 6.310 -2.267 148 HB3 ASP 19 HB1 ASP 19 5.634 6.171 -0.659 149 HA DPR 20 HA DPR 20 9.645 2.848 -0.354 150 HB2 DPR 20 HB2 DPR 20 10.307 0.885 -1.293 151 HB3 DPR 20 HB1 DPR 20 8.727 0.133 -1.054 152 HG2 DPR 20 HG2 DPR 20 9.668 1.895 -3.276 153 HG3 DPR 20 HG1 DPR 20 8.643 0.450 -3.344 154 HD2 DPR 20 HD2 DPR 20 7.621 2.928 -3.512 155 HD3 DPR 20 HD1 DPR 20 6.749 1.613 -2.701 156 HA PRO 21 HA PRO 21 7.975 0.832 3.293 157 HB2 PRO 21 HB2 PRO 21 8.898 2.592 5.092 158 HB3 PRO 21 HB1 PRO 21 9.974 1.458 4.269 159 HG2 PRO 21 HG2 PRO 21 9.472 4.348 3.690 160 HG3 PRO 21 HG1 PRO 21 11.009 3.468 3.727 161 HD2 PRO 21 HD2 PRO 21 9.659 4.056 1.424 162 HD3 PRO 21 HD1 PRO 21 10.737 2.659 1.600 163 H ARG 22 HN ARG 22 7.072 3.782 1.900 164 HA ARG 22 HA ARG 22 5.065 4.312 3.991 165 HB2 ARG 22 HB2 ARG 22 5.944 6.101 1.715 166 HB3 ARG 22 HB1 ARG 22 4.863 6.541 3.029 167 HG2 ARG 22 HG2 ARG 22 7.778 5.841 3.288 168 HG3 ARG 22 HG1 ARG 22 7.080 7.458 3.378 169 HD2 ARG 22 HD2 ARG 22 5.858 6.857 5.382 170 HD3 ARG 22 HD1 ARG 22 6.426 5.192 5.262 171 HE ARG 22 HE ARG 22 8.671 6.845 5.363 172 HH11 ARG 22 HH11 ARG 22 5.990 5.945 7.432 173 HH12 ARG 22 HH12 ARG 22 6.884 6.183 8.899 174 HH21 ARG 22 HH21 ARG 22 9.070 6.860 8.822 175 HH22 ARG 22 HH22 ARG 22 9.843 7.152 7.294 176 H TYR 23 HN TYR 23 2.874 4.829 3.273 177 HA TYR 23 HA TYR 23 2.094 4.132 0.606 178 HB2 TYR 23 HB2 TYR 23 0.787 2.158 1.172 179 HB3 TYR 23 HB1 TYR 23 2.484 1.903 1.552 180 HD1 TYR 23 HD1 TYR 23 -0.875 2.189 2.879 181 HD2 TYR 23 HD2 TYR 23 3.234 1.854 3.906 182 HE1 TYR 23 HE1 TYR 23 -1.508 1.566 5.166 183 HE2 TYR 23 HE2 TYR 23 2.615 1.226 6.202 184 HH TYR 23 HH TYR 23 -0.581 0.370 7.056 185 H GLU 24 HN GLU 24 -0.065 4.575 0.164 186 HA GLU 24 HA GLU 24 -1.559 5.904 2.328 187 HB2 GLU 24 HB2 GLU 24 -1.493 6.623 -0.609 188 HB3 GLU 24 HB1 GLU 24 -2.504 7.399 0.597 189 HG2 GLU 24 HG2 GLU 24 0.503 7.398 0.583 190 HG3 GLU 24 HG1 GLU 24 -0.523 8.724 0.041 191 HN1 MVA 25 HM1 MEV 25 -4.575 5.286 3.585 192 HN2 MVA 25 HM2 MEV 25 -3.313 6.318 2.921 193 HN3 MVA 25 HM3 MEV 25 -2.882 4.845 3.788 194 HA MVA 25 HA MEV 25 -4.559 3.120 0.612 195 HB MVA 25 HB MEV 25 -5.524 1.683 2.154 196 HG11 MVA 25 HG11 MEV 25 -3.708 1.045 3.666 197 HG12 MVA 25 HG12 MEV 25 -2.912 2.582 3.329 198 HG13 MVA 25 HG13 MEV 25 -3.146 1.409 2.034 199 HG21 MVA 25 HG21 MEV 25 -5.840 2.046 4.499 200 HG22 MVA 25 HG22 MEV 25 -6.551 3.400 3.619 201 HG23 MVA 25 HG23 MEV 25 -4.994 3.590 4.425 202 H HIS 26 HN HIS 26 -6.624 2.978 0.025 203 HA HIS 26 HA HIS 26 -8.545 4.873 1.159 204 HB2 HIS 26 HB2 HIS 26 -7.883 4.564 -1.763 205 HB3 HIS 26 HB1 HIS 26 -9.384 5.284 -1.202 206 HD1 HIS 26 HD1 HIS 26 -9.277 7.662 -0.257 207 HD2 HIS 26 HD2 HIS 26 -5.570 6.132 -1.353 208 HE1 HIS 26 HE1 HIS 26 -7.706 9.621 -0.236 209 HE2 HIS 26 HE2 HIS 26 -5.518 8.705 -1.075 210 H CYS 27 HN CYS 27 -9.989 3.544 2.006 211 HA CYS 27 HA CYS 27 -10.601 1.006 0.750 212 HB2 CYS 27 HB2 CYS 27 -11.644 2.238 3.307 213 HB3 CYS 27 HB1 CYS 27 -11.947 0.590 2.769 214 HN1 NH2 28 HN1 NH2 28 -12.445 3.817 1.884 215 HN2 NH2 28 HN2 NH2 28 -13.731 3.653 0.742
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