NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23479 | 2jvy | 15500 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 11.707 -2.448 5.940 2 HG SER 1 HG SER 1 9.628 -4.443 5.819 3 H1 SER 1 HT1 SER 1 12.122 -1.424 8.089 4 H2 SER 1 HT2 SER 1 11.266 -2.877 8.231 5 H3 SER 1 HT3 SER 1 10.456 -1.393 8.403 6 HB2 SER 1 HB2 SER 1 8.813 -1.966 6.691 7 HB3 SER 1 HB1 SER 1 9.380 -2.479 5.101 8 H SER 2 HN SER 2 12.159 -1.004 4.401 9 HA SER 2 HA SER 2 11.616 1.812 4.899 10 HG SER 2 HG SER 2 12.377 2.782 2.487 11 HB2 SER 2 HB2 SER 2 13.871 1.065 4.158 12 HB3 SER 2 HB1 SER 2 13.164 0.482 2.651 13 H ASP 3 HN ASP 3 9.576 -0.266 4.058 14 HA ASP 3 HA ASP 3 8.385 1.270 1.876 15 HB2 ASP 3 HB2 ASP 3 7.791 -0.731 0.645 16 HB3 ASP 3 HB1 ASP 3 9.533 -0.731 0.900 17 H PHE 4 HN PHE 4 6.084 0.349 1.518 18 HA PHE 4 HA PHE 4 4.895 -0.525 4.059 19 HD1 PHE 4 HD2 PHE 4 3.368 1.375 5.806 20 HD2 PHE 4 HD1 PHE 4 5.607 3.174 2.667 21 HE1 PHE 4 HE2 PHE 4 4.253 3.036 7.389 22 HE2 PHE 4 HE1 PHE 4 6.497 4.834 4.247 23 HZ PHE 4 HZ PHE 4 5.793 4.783 6.608 24 HB2 PHE 4 HB2 PHE 4 3.842 1.606 2.188 25 HB3 PHE 4 HB1 PHE 4 2.891 0.880 3.478 26 H CYS 5 HN CYS 5 4.187 -2.517 3.696 27 HA CYS 5 HA CYS 5 3.531 -3.411 1.032 28 HG CYS 5 HG CYS 5 6.065 -3.798 2.293 29 HB2 CYS 5 HB2 CYS 5 3.331 -4.926 3.636 30 HB3 CYS 5 HB1 CYS 5 3.386 -5.608 2.014 31 H CYS 6 HN CYS 6 1.537 -4.002 0.266 32 HA CYS 6 HA CYS 6 -0.768 -2.869 1.561 33 HB2 CYS 6 HB2 CYS 6 -0.586 -2.852 -0.896 34 HB3 CYS 6 HB1 CYS 6 -0.570 -4.613 -0.911 35 HA PRO 7 HA PRO 7 -1.597 -6.543 3.957 36 HB2 PRO 7 HB2 PRO 7 -4.001 -5.776 4.959 37 HB3 PRO 7 HB1 PRO 7 -2.462 -5.147 5.559 38 HG2 PRO 7 HG2 PRO 7 -4.396 -3.908 3.640 39 HG3 PRO 7 HG1 PRO 7 -3.509 -3.159 4.981 40 HD2 PRO 7 HD2 PRO 7 -2.722 -2.924 2.396 41 HD3 PRO 7 HD1 PRO 7 -1.573 -2.947 3.749 42 H LYS 8 HN LYS 8 -2.995 -5.691 1.127 43 HA LYS 8 HA LYS 8 -4.950 -7.895 1.174 44 HB2 LYS 8 HB2 LYS 8 -4.800 -5.562 -0.750 45 HB3 LYS 8 HB1 LYS 8 -6.052 -6.792 -0.699 46 HG2 LYS 8 HG2 LYS 8 -5.494 -4.863 1.541 47 HG3 LYS 8 HG1 LYS 8 -6.708 -4.611 0.285 48 HD2 LYS 8 HD2 LYS 8 -7.817 -6.700 0.972 49 HD3 LYS 8 HD1 LYS 8 -6.621 -6.892 2.258 50 HE2 LYS 8 HE2 LYS 8 -7.348 -4.793 3.259 51 HE3 LYS 8 HE1 LYS 8 -8.511 -4.559 1.958 52 HZ1 LYS 8 HZ1 LYS 8 -9.557 -5.426 3.956 53 HZ2 LYS 8 HZ2 LYS 8 -8.547 -6.791 3.917 54 HZ3 LYS 8 HZ3 LYS 8 -9.677 -6.540 2.678 55 H CYS 9 HN CYS 9 -1.881 -7.097 0.141 56 HA CYS 9 HA CYS 9 -1.944 -9.012 -2.070 57 HB2 CYS 9 HB2 CYS 9 -0.663 -6.299 -2.356 58 HB3 CYS 9 HB1 CYS 9 -0.936 -7.495 -3.617 59 H GLN 10 HN GLN 10 0.446 -9.197 -2.933 60 HA GLN 10 HA GLN 10 2.287 -9.109 -0.655 61 HB2 GLN 10 HB2 GLN 10 3.820 -10.414 -2.090 62 HB3 GLN 10 HB1 GLN 10 2.267 -11.210 -1.888 63 HG2 GLN 10 HG2 GLN 10 1.576 -10.545 -4.083 64 HG3 GLN 10 HG1 GLN 10 3.027 -9.563 -4.285 65 HE21 GLN 10 HE21 GLN 10 4.754 -11.524 -3.000 66 HE22 GLN 10 HE22 GLN 10 4.958 -12.807 -4.144 67 H TYR 11 HN TYR 11 1.200 -7.005 -2.744 68 HA TYR 11 HA TYR 11 3.563 -5.881 -3.887 69 HD1 TYR 11 HD1 TYR 11 2.907 -4.604 -6.485 70 HD2 TYR 11 HD2 TYR 11 1.545 -2.354 -3.142 71 HE1 TYR 11 HE1 TYR 11 3.732 -2.544 -7.541 72 HE2 TYR 11 HE2 TYR 11 2.370 -0.287 -4.187 73 HH TYR 11 HH TYR 11 3.273 -0.114 -7.442 74 HB2 TYR 11 HB2 TYR 11 1.316 -5.552 -4.881 75 HB3 TYR 11 HB1 TYR 11 0.831 -4.640 -3.455 76 H GLN 12 HN GLN 12 4.889 -4.382 -3.080 77 HA GLN 12 HA GLN 12 4.126 -3.064 -0.573 78 HB2 GLN 12 HB2 GLN 12 6.528 -3.133 0.067 79 HB3 GLN 12 HB1 GLN 12 5.791 -4.724 -0.042 80 HG2 GLN 12 HG2 GLN 12 6.780 -4.913 -2.342 81 HG3 GLN 12 HG1 GLN 12 7.669 -3.430 -2.002 82 HE21 GLN 12 HE21 GLN 12 7.975 -4.159 0.836 83 HE22 GLN 12 HE22 GLN 12 9.207 -5.376 0.867 84 H ALA 13 HN ALA 13 4.312 -0.904 -0.561 85 HA ALA 13 HA ALA 13 5.338 0.352 -3.010 86 HB1 ALA 13 HB1 ALA 13 3.482 1.496 -0.927 87 HB2 ALA 13 HB2 ALA 13 2.979 0.770 -2.452 88 HB3 ALA 13 HB3 ALA 13 3.937 2.251 -2.455 89 HA PRO 14 HA PRO 14 8.824 1.924 -0.840 90 HB2 PRO 14 HB2 PRO 14 9.325 4.141 -2.355 91 HB3 PRO 14 HB1 PRO 14 9.740 2.499 -2.856 92 HG2 PRO 14 HG2 PRO 14 7.377 4.172 -3.619 93 HG3 PRO 14 HG1 PRO 14 8.387 3.128 -4.635 94 HD2 PRO 14 HD2 PRO 14 5.974 2.338 -3.747 95 HD3 PRO 14 HD1 PRO 14 7.323 1.200 -3.938 96 H ASP 15 HN ASP 15 5.944 3.785 -1.235 97 HA ASP 15 HA ASP 15 6.632 5.338 1.141 98 HB2 ASP 15 HB2 ASP 15 7.175 6.728 -0.855 99 HB3 ASP 15 HB1 ASP 15 5.492 6.602 -1.358 100 H MET 16 HN MET 16 4.810 6.139 2.285 101 HA MET 16 HA MET 16 2.650 4.296 2.258 102 HB2 MET 16 HB2 MET 16 1.704 5.698 4.075 103 HB3 MET 16 HB1 MET 16 3.368 5.211 4.355 104 HG2 MET 16 HG2 MET 16 4.140 7.416 3.665 105 HG3 MET 16 HG1 MET 16 2.472 7.905 3.365 106 HE1 MET 16 HE1 MET 16 3.045 10.034 4.954 107 HE2 MET 16 HE2 MET 16 4.652 9.392 5.290 108 HE3 MET 16 HE3 MET 16 3.595 9.868 6.620 109 H ASP 17 HN ASP 17 3.056 7.534 0.954 110 HA ASP 17 HA ASP 17 0.277 7.980 0.451 111 HB2 ASP 17 HB2 ASP 17 1.844 9.858 0.488 112 HB3 ASP 17 HB1 ASP 17 2.723 9.179 -0.876 113 H THR 18 HN THR 18 2.940 6.559 -1.339 114 HA THR 18 HA THR 18 1.586 6.109 -3.764 115 HB THR 18 HB THR 18 3.776 4.397 -2.567 116 HG1 THR 18 HG1 THR 18 4.017 6.731 -4.205 117 HG21 THR 18 HG21 THR 18 4.359 3.975 -4.920 118 HG22 THR 18 HG22 THR 18 2.969 4.935 -5.430 119 HG23 THR 18 HG23 THR 18 2.726 3.429 -4.546 120 H LEU 19 HN LEU 19 1.904 4.181 -0.806 121 HA LEU 19 HA LEU 19 0.492 1.916 -1.726 122 HG LEU 19 HG LEU 19 -0.952 1.146 0.860 123 HB2 LEU 19 HB2 LEU 19 1.912 1.933 0.301 124 HB3 LEU 19 HB1 LEU 19 0.737 2.961 1.101 125 HD11 LEU 19 HD11 LEU 19 1.402 -0.496 -0.049 126 HD12 LEU 19 HD12 LEU 19 0.047 0.012 -1.055 127 HD13 LEU 19 HD13 LEU 19 -0.223 -1.094 0.291 128 HD21 LEU 19 HD21 LEU 19 -0.055 -0.260 2.631 129 HD22 LEU 19 HD22 LEU 19 0.301 1.440 2.938 130 HD23 LEU 19 HD23 LEU 19 1.565 0.369 2.328 131 H GLN 20 HN GLN 20 -0.531 4.920 -0.179 132 HA GLN 20 HA GLN 20 -3.228 4.231 0.230 133 HB2 GLN 20 HB2 GLN 20 -2.123 6.173 1.281 134 HB3 GLN 20 HB1 GLN 20 -2.027 6.958 -0.289 135 HG2 GLN 20 HG2 GLN 20 -3.859 7.831 1.069 136 HG3 GLN 20 HG1 GLN 20 -4.433 7.085 -0.420 137 HE21 GLN 20 HE21 GLN 20 -5.609 5.184 -0.317 138 HE22 GLN 20 HE22 GLN 20 -6.294 4.601 1.163 139 H ILE 21 HN ILE 21 -1.508 5.499 -2.563 140 HA ILE 21 HA ILE 21 -3.842 5.902 -4.167 141 HB ILE 21 HB ILE 21 -0.951 5.547 -4.994 142 HG12 ILE 21 HG12 ILE 21 -2.601 8.058 -4.642 143 HG13 ILE 21 HG11 ILE 21 -1.379 7.483 -3.513 144 HG21 ILE 21 HG21 ILE 21 -1.605 6.565 -7.110 145 HG22 ILE 21 HG22 ILE 21 -3.284 6.621 -6.572 146 HG23 ILE 21 HG23 ILE 21 -2.494 5.066 -6.831 147 HD11 ILE 21 HD11 ILE 21 -0.533 9.275 -4.924 148 HD12 ILE 21 HD12 ILE 21 -0.876 8.313 -6.362 149 HD13 ILE 21 HD13 ILE 21 0.340 7.768 -5.207 150 H HIS 22 HN HIS 22 -1.575 3.270 -3.647 151 HA HIS 22 HA HIS 22 -2.442 1.532 -5.676 152 HD1 HIS 22 HD1 HIS 22 -0.963 -1.086 -6.153 153 HD2 HIS 22 HD2 HIS 22 -1.997 -1.347 -2.131 154 HE1 HIS 22 HE1 HIS 22 -1.353 -3.540 -5.673 155 HB2 HIS 22 HB2 HIS 22 -0.371 1.060 -4.589 156 HB3 HIS 22 HB1 HIS 22 -1.124 1.054 -3.000 157 H VAL 23 HN VAL 23 -3.328 1.583 -2.214 158 HA VAL 23 HA VAL 23 -5.372 -0.378 -2.501 159 HB VAL 23 HB VAL 23 -6.088 0.300 -0.222 160 HG11 VAL 23 HG11 VAL 23 -3.117 -0.104 -0.567 161 HG12 VAL 23 HG12 VAL 23 -4.342 -1.373 -0.526 162 HG13 VAL 23 HG13 VAL 23 -4.035 -0.400 0.912 163 HG21 VAL 23 HG21 VAL 23 -5.587 2.680 -0.353 164 HG22 VAL 23 HG22 VAL 23 -3.863 2.319 -0.453 165 HG23 VAL 23 HG23 VAL 23 -4.763 1.935 1.015 166 H MET 24 HN MET 24 -5.343 3.133 -2.567 167 HA MET 24 HA MET 24 -6.928 4.708 -2.926 168 HB2 MET 24 HB2 MET 24 -6.958 3.387 -5.112 169 HB3 MET 24 HB1 MET 24 -8.417 2.617 -4.510 170 HG2 MET 24 HG2 MET 24 -8.979 4.435 -5.988 171 HG3 MET 24 HG1 MET 24 -9.507 4.795 -4.345 172 HE1 MET 24 HE1 MET 24 -8.571 8.341 -5.709 173 HE2 MET 24 HE2 MET 24 -9.814 7.353 -4.947 174 HE3 MET 24 HE3 MET 24 -9.321 7.022 -6.608 175 H GLU 25 HN GLU 25 -7.260 4.121 -0.560 176 HA GLU 25 HA GLU 25 -8.583 3.905 1.255 177 HB2 GLU 25 HB2 GLU 25 -10.835 4.250 -0.719 178 HB3 GLU 25 HB1 GLU 25 -10.984 4.365 1.027 179 HG2 GLU 25 HG2 GLU 25 -9.317 6.240 0.943 180 HG3 GLU 25 HG1 GLU 25 -9.474 6.201 -0.812 181 H PHE 26 HN PHE 26 -10.931 2.613 1.828 182 HA PHE 26 HA PHE 26 -10.573 -0.103 0.775 183 HD1 PHE 26 HD2 PHE 26 -7.788 -0.801 1.797 184 HD2 PHE 26 HD1 PHE 26 -9.490 2.081 4.433 185 HE1 PHE 26 HE2 PHE 26 -5.570 0.198 2.146 186 HE2 PHE 26 HE1 PHE 26 -7.278 3.085 4.773 187 HZ PHE 26 HZ PHE 26 -5.310 2.140 3.636 188 HB2 PHE 26 HB2 PHE 26 -10.763 0.225 3.745 189 HB3 PHE 26 HB1 PHE 26 -10.055 -1.090 2.812 190 H ILE 27 HN ILE 27 -12.238 -1.581 2.020 191 HA ILE 27 HA ILE 27 -14.819 -0.171 2.036 192 HB ILE 27 HB ILE 27 -14.482 -3.171 2.035 193 HG12 ILE 27 HG12 ILE 27 -14.628 -1.386 -0.407 194 HG13 ILE 27 HG11 ILE 27 -13.176 -2.217 0.143 195 HG21 ILE 27 HG21 ILE 27 -16.664 -1.356 1.003 196 HG22 ILE 27 HG22 ILE 27 -16.705 -2.256 2.519 197 HG23 ILE 27 HG23 ILE 27 -16.687 -3.119 0.981 198 HD11 ILE 27 HD11 ILE 27 -14.253 -3.386 -1.705 199 HD12 ILE 27 HD12 ILE 27 -15.724 -3.552 -0.746 200 HD13 ILE 27 HD13 ILE 27 -14.244 -4.365 -0.238 201 H GLU 28 HN GLU 28 -12.679 -0.390 4.150 202 HA GLU 28 HA GLU 28 -14.304 -1.577 6.299 203 HB2 GLU 28 HB2 GLU 28 -11.289 -1.509 6.014 204 HB3 GLU 28 HB1 GLU 28 -12.150 -2.105 7.427 205 HG2 GLU 28 HG2 GLU 28 -12.945 -3.975 6.315 206 HG3 GLU 28 HG1 GLU 28 -12.691 -3.260 4.725 Start of MODEL 2 1 HA SER 1 HA SER 1 13.089 -2.564 6.924 2 HG SER 1 HG SER 1 15.904 -3.363 7.154 3 H1 SER 1 HT1 SER 1 14.118 -2.688 4.753 4 H2 SER 1 HT2 SER 1 14.035 -1.007 4.589 5 H3 SER 1 HT3 SER 1 12.609 -1.922 4.653 6 HB2 SER 1 HB2 SER 1 15.444 -0.678 6.702 7 HB3 SER 1 HB1 SER 1 15.013 -1.687 8.084 8 H SER 2 HN SER 2 11.990 -0.261 5.110 9 HA SER 2 HA SER 2 10.840 1.249 7.281 10 HG SER 2 HG SER 2 13.542 1.746 5.092 11 HB2 SER 2 HB2 SER 2 11.533 3.455 6.152 12 HB3 SER 2 HB1 SER 2 12.780 2.616 7.073 13 H ASP 3 HN ASP 3 9.867 -0.548 5.402 14 HA ASP 3 HA ASP 3 8.895 0.994 3.113 15 HB2 ASP 3 HB2 ASP 3 8.787 -2.000 3.490 16 HB3 ASP 3 HB1 ASP 3 8.669 -1.094 1.984 17 H PHE 4 HN PHE 4 6.722 0.261 2.277 18 HA PHE 4 HA PHE 4 4.834 -0.274 4.478 19 HD1 PHE 4 HD2 PHE 4 3.414 2.123 5.474 20 HD2 PHE 4 HD1 PHE 4 6.089 3.059 2.296 21 HE1 PHE 4 HE2 PHE 4 4.173 4.111 6.703 22 HE2 PHE 4 HE1 PHE 4 6.851 5.053 3.520 23 HZ PHE 4 HZ PHE 4 5.893 5.580 5.729 24 HB2 PHE 4 HB2 PHE 4 4.354 1.420 2.006 25 HB3 PHE 4 HB1 PHE 4 3.185 1.096 3.278 26 H CYS 5 HN CYS 5 2.821 -1.427 3.669 27 HA CYS 5 HA CYS 5 3.237 -2.892 1.191 28 HG CYS 5 HG CYS 5 2.506 -6.580 2.577 29 HB2 CYS 5 HB2 CYS 5 4.547 -4.092 2.985 30 HB3 CYS 5 HB1 CYS 5 3.022 -4.396 3.808 31 H CYS 6 HN CYS 6 1.396 -4.051 0.482 32 HA CYS 6 HA CYS 6 -1.106 -3.194 1.755 33 HB2 CYS 6 HB2 CYS 6 -0.810 -2.810 -0.697 34 HB3 CYS 6 HB1 CYS 6 -0.693 -4.550 -0.923 35 HA PRO 7 HA PRO 7 -1.106 -7.325 3.491 36 HB2 PRO 7 HB2 PRO 7 -3.270 -7.045 5.067 37 HB3 PRO 7 HB1 PRO 7 -1.722 -6.282 5.454 38 HG2 PRO 7 HG2 PRO 7 -4.157 -5.088 4.182 39 HG3 PRO 7 HG1 PRO 7 -3.113 -4.418 5.450 40 HD2 PRO 7 HD2 PRO 7 -2.923 -3.711 2.824 41 HD3 PRO 7 HD1 PRO 7 -1.540 -3.688 3.937 42 H LYS 8 HN LYS 8 -2.896 -6.273 1.059 43 HA LYS 8 HA LYS 8 -4.649 -8.636 1.035 44 HB2 LYS 8 HB2 LYS 8 -5.278 -5.895 -0.085 45 HB3 LYS 8 HB1 LYS 8 -6.319 -7.308 -0.184 46 HG2 LYS 8 HG2 LYS 8 -6.627 -7.316 2.202 47 HG3 LYS 8 HG1 LYS 8 -5.451 -6.012 2.395 48 HD2 LYS 8 HD2 LYS 8 -6.905 -4.522 1.101 49 HD3 LYS 8 HD1 LYS 8 -8.081 -5.828 0.922 50 HE2 LYS 8 HE2 LYS 8 -8.379 -5.905 3.340 51 HE3 LYS 8 HE1 LYS 8 -7.178 -4.630 3.539 52 HZ1 LYS 8 HZ1 LYS 8 -9.735 -4.342 2.054 53 HZ2 LYS 8 HZ2 LYS 8 -8.596 -3.117 2.345 54 HZ3 LYS 8 HZ3 LYS 8 -9.460 -3.792 3.636 55 H CYS 9 HN CYS 9 -1.974 -7.395 -0.244 56 HA CYS 9 HA CYS 9 -2.338 -8.720 -2.814 57 HB2 CYS 9 HB2 CYS 9 -1.288 -5.890 -2.592 58 HB3 CYS 9 HB1 CYS 9 -1.443 -6.829 -4.072 59 H GLN 10 HN GLN 10 -0.239 -9.074 -3.896 60 HA GLN 10 HA GLN 10 1.943 -9.435 -2.014 61 HB2 GLN 10 HB2 GLN 10 1.989 -9.938 -4.999 62 HB3 GLN 10 HB1 GLN 10 3.085 -10.591 -3.792 63 HG2 GLN 10 HG2 GLN 10 1.770 -12.401 -4.117 64 HG3 GLN 10 HG1 GLN 10 0.847 -11.617 -2.837 65 HE21 GLN 10 HE21 GLN 10 0.992 -12.381 -6.205 66 HE22 GLN 10 HE22 GLN 10 -0.649 -11.976 -6.587 67 H TYR 11 HN TYR 11 1.435 -6.821 -2.086 68 HA TYR 11 HA TYR 11 3.471 -5.667 -3.862 69 HD1 TYR 11 HD1 TYR 11 2.802 -4.386 -6.386 70 HD2 TYR 11 HD2 TYR 11 1.515 -2.168 -2.989 71 HE1 TYR 11 HE1 TYR 11 3.643 -2.320 -7.419 72 HE2 TYR 11 HE2 TYR 11 2.356 -0.101 -4.009 73 HH TYR 11 HH TYR 11 3.317 0.050 -7.317 74 HB2 TYR 11 HB2 TYR 11 1.167 -5.308 -4.775 75 HB3 TYR 11 HB1 TYR 11 0.773 -4.419 -3.306 76 H GLN 12 HN GLN 12 4.899 -4.522 -2.805 77 HA GLN 12 HA GLN 12 4.097 -3.208 -0.296 78 HB2 GLN 12 HB2 GLN 12 6.513 -3.504 0.409 79 HB3 GLN 12 HB1 GLN 12 5.546 -4.972 0.364 80 HG2 GLN 12 HG2 GLN 12 6.513 -5.468 -1.871 81 HG3 GLN 12 HG1 GLN 12 7.567 -4.069 -1.674 82 HE21 GLN 12 HE21 GLN 12 8.146 -6.933 -1.960 83 HE22 GLN 12 HE22 GLN 12 9.139 -7.341 -0.597 84 H ALA 13 HN ALA 13 4.315 -1.068 -0.327 85 HA ALA 13 HA ALA 13 5.691 0.108 -2.634 86 HB1 ALA 13 HB1 ALA 13 3.313 0.631 -2.389 87 HB2 ALA 13 HB2 ALA 13 4.316 2.076 -2.256 88 HB3 ALA 13 HB3 ALA 13 3.635 1.339 -0.805 89 HA PRO 14 HA PRO 14 8.780 1.675 0.143 90 HB2 PRO 14 HB2 PRO 14 10.096 3.254 -1.590 91 HB3 PRO 14 HB1 PRO 14 10.187 1.492 -1.681 92 HG2 PRO 14 HG2 PRO 14 8.536 3.391 -3.302 93 HG3 PRO 14 HG1 PRO 14 9.446 1.965 -3.832 94 HD2 PRO 14 HD2 PRO 14 6.746 1.960 -3.401 95 HD3 PRO 14 HD1 PRO 14 7.770 0.521 -3.234 96 H ASP 15 HN ASP 15 6.153 3.298 -0.958 97 HA ASP 15 HA ASP 15 6.832 5.736 0.518 98 HB2 ASP 15 HB2 ASP 15 7.163 6.292 -1.831 99 HB3 ASP 15 HB1 ASP 15 5.575 5.649 -2.230 100 H MET 16 HN MET 16 5.036 6.829 1.405 101 HA MET 16 HA MET 16 2.927 5.020 2.170 102 HB2 MET 16 HB2 MET 16 3.988 6.570 3.789 103 HB3 MET 16 HB1 MET 16 3.326 7.930 2.893 104 HG2 MET 16 HG2 MET 16 1.053 7.060 3.351 105 HG3 MET 16 HG1 MET 16 1.780 5.806 4.356 106 HE1 MET 16 HE1 MET 16 0.951 9.628 3.997 107 HE2 MET 16 HE2 MET 16 2.709 9.590 3.878 108 HE3 MET 16 HE3 MET 16 1.937 10.323 5.284 109 H ASP 17 HN ASP 17 3.208 8.017 0.305 110 HA ASP 17 HA ASP 17 0.400 8.392 -0.024 111 HB2 ASP 17 HB2 ASP 17 1.957 10.253 -0.269 112 HB3 ASP 17 HB1 ASP 17 2.728 9.457 -1.639 113 H THR 18 HN THR 18 2.942 7.051 -2.060 114 HA THR 18 HA THR 18 1.428 6.313 -4.270 115 HB THR 18 HB THR 18 3.747 4.781 -3.086 116 HG1 THR 18 HG1 THR 18 4.151 7.073 -3.433 117 HG21 THR 18 HG21 THR 18 4.192 4.134 -5.408 118 HG22 THR 18 HG22 THR 18 2.735 4.983 -5.921 119 HG23 THR 18 HG23 THR 18 2.610 3.571 -4.869 120 H LEU 19 HN LEU 19 1.967 4.589 -1.208 121 HA LEU 19 HA LEU 19 0.600 2.224 -1.976 122 HG LEU 19 HG LEU 19 -0.608 1.514 0.746 123 HB2 LEU 19 HB2 LEU 19 2.191 2.245 -0.118 124 HB3 LEU 19 HB1 LEU 19 1.137 3.321 0.786 125 HD11 LEU 19 HD11 LEU 19 1.674 -0.144 -0.308 126 HD12 LEU 19 HD12 LEU 19 0.190 0.262 -1.170 127 HD13 LEU 19 HD13 LEU 19 0.125 -0.769 0.261 128 HD21 LEU 19 HD21 LEU 19 0.809 1.911 2.696 129 HD22 LEU 19 HD22 LEU 19 2.012 0.798 2.043 130 HD23 LEU 19 HD23 LEU 19 0.421 0.200 2.507 131 H GLN 20 HN GLN 20 -0.423 5.219 -0.420 132 HA GLN 20 HA GLN 20 -2.959 4.348 0.422 133 HB2 GLN 20 HB2 GLN 20 -1.993 7.102 -0.334 134 HB3 GLN 20 HB1 GLN 20 -3.574 6.782 0.366 135 HG2 GLN 20 HG2 GLN 20 -0.894 6.293 1.638 136 HG3 GLN 20 HG1 GLN 20 -2.081 7.516 2.087 137 HE21 GLN 20 HE21 GLN 20 -1.192 4.182 2.259 138 HE22 GLN 20 HE22 GLN 20 -2.379 3.698 3.419 139 H ILE 21 HN ILE 21 -1.847 5.665 -2.654 140 HA ILE 21 HA ILE 21 -4.389 5.754 -3.903 141 HB ILE 21 HB ILE 21 -1.680 5.341 -5.185 142 HG12 ILE 21 HG12 ILE 21 -3.254 7.873 -4.678 143 HG13 ILE 21 HG11 ILE 21 -1.802 7.384 -3.811 144 HG21 ILE 21 HG21 ILE 21 -2.728 6.199 -7.215 145 HG22 ILE 21 HG22 ILE 21 -4.273 6.320 -6.375 146 HG23 ILE 21 HG23 ILE 21 -3.545 4.738 -6.659 147 HD11 ILE 21 HD11 ILE 21 -1.322 9.080 -5.483 148 HD12 ILE 21 HD12 ILE 21 -1.965 8.031 -6.747 149 HD13 ILE 21 HD13 ILE 21 -0.511 7.562 -5.864 150 H HIS 22 HN HIS 22 -1.886 3.281 -3.665 151 HA HIS 22 HA HIS 22 -3.074 1.331 -5.298 152 HD1 HIS 22 HD1 HIS 22 -1.035 -1.081 -6.014 153 HD2 HIS 22 HD2 HIS 22 -2.017 -1.346 -1.981 154 HE1 HIS 22 HE1 HIS 22 -1.222 -3.547 -5.493 155 HB2 HIS 22 HB2 HIS 22 -0.758 1.137 -4.670 156 HB3 HIS 22 HB1 HIS 22 -1.168 1.099 -2.959 157 H VAL 23 HN VAL 23 -3.394 1.953 -1.812 158 HA VAL 23 HA VAL 23 -5.236 -0.289 -1.565 159 HB VAL 23 HB VAL 23 -5.270 0.225 0.840 160 HG11 VAL 23 HG11 VAL 23 -2.940 -0.364 1.314 161 HG12 VAL 23 HG12 VAL 23 -2.501 0.048 -0.343 162 HG13 VAL 23 HG13 VAL 23 -3.590 -1.303 -0.028 163 HG21 VAL 23 HG21 VAL 23 -3.358 2.431 0.110 164 HG22 VAL 23 HG22 VAL 23 -3.728 1.901 1.751 165 HG23 VAL 23 HG23 VAL 23 -4.988 2.630 0.755 166 H MET 24 HN MET 24 -5.649 2.666 -2.731 167 HA MET 24 HA MET 24 -7.852 3.678 -1.268 168 HB2 MET 24 HB2 MET 24 -6.500 5.041 -2.836 169 HB3 MET 24 HB1 MET 24 -7.168 4.131 -4.183 170 HG2 MET 24 HG2 MET 24 -8.271 6.280 -3.939 171 HG3 MET 24 HG1 MET 24 -9.396 4.953 -3.653 172 HE1 MET 24 HE1 MET 24 -11.148 6.527 -2.509 173 HE2 MET 24 HE2 MET 24 -10.110 7.925 -2.790 174 HE3 MET 24 HE3 MET 24 -10.777 7.630 -1.184 175 H GLU 25 HN GLU 25 -7.551 1.020 -3.363 176 HA GLU 25 HA GLU 25 -10.165 0.900 -4.433 177 HB2 GLU 25 HB2 GLU 25 -8.295 -1.373 -3.768 178 HB3 GLU 25 HB1 GLU 25 -9.710 -1.479 -4.801 179 HG2 GLU 25 HG2 GLU 25 -8.633 0.187 -6.315 180 HG3 GLU 25 HG1 GLU 25 -7.175 0.044 -5.329 181 H PHE 26 HN PHE 26 -9.010 0.549 -1.273 182 HA PHE 26 HA PHE 26 -11.379 -1.015 -0.473 183 HD1 PHE 26 HD2 PHE 26 -10.385 -3.199 -1.555 184 HD2 PHE 26 HD1 PHE 26 -6.841 -1.600 0.169 185 HE1 PHE 26 HE2 PHE 26 -9.043 -4.354 -3.253 186 HE2 PHE 26 HE1 PHE 26 -5.491 -2.754 -1.528 187 HZ PHE 26 HZ PHE 26 -6.588 -4.141 -3.237 188 HB2 PHE 26 HB2 PHE 26 -8.845 -1.103 1.123 189 HB3 PHE 26 HB1 PHE 26 -10.115 -2.314 0.975 190 H ILE 27 HN ILE 27 -12.421 -0.380 1.412 191 HA ILE 27 HA ILE 27 -11.736 2.315 2.315 192 HB ILE 27 HB ILE 27 -13.941 2.446 3.318 193 HG12 ILE 27 HG12 ILE 27 -14.101 -0.014 3.896 194 HG13 ILE 27 HG11 ILE 27 -15.573 0.715 3.272 195 HG21 ILE 27 HG21 ILE 27 -14.019 1.434 0.484 196 HG22 ILE 27 HG22 ILE 27 -13.743 3.095 1.008 197 HG23 ILE 27 HG23 ILE 27 -15.310 2.333 1.279 198 HD11 ILE 27 HD11 ILE 27 -13.657 -1.023 1.729 199 HD12 ILE 27 HD12 ILE 27 -15.121 -0.282 1.081 200 HD13 ILE 27 HD13 ILE 27 -15.239 -1.501 2.352 201 H GLU 28 HN GLU 28 -11.568 -0.945 3.328 202 HA GLU 28 HA GLU 28 -10.707 -0.038 5.987 203 HB2 GLU 28 HB2 GLU 28 -12.975 -1.053 6.137 204 HB3 GLU 28 HB1 GLU 28 -12.328 -2.536 5.450 205 HG2 GLU 28 HG2 GLU 28 -10.778 -2.688 7.376 206 HG3 GLU 28 HG1 GLU 28 -11.582 -1.288 8.082 Start of MODEL 3 1 HA SER 1 HA SER 1 14.522 -0.141 8.816 2 HG SER 1 HG SER 1 14.115 0.388 11.968 3 H1 SER 1 HT1 SER 1 12.041 1.467 8.772 4 H2 SER 1 HT2 SER 1 13.290 1.549 7.630 5 H3 SER 1 HT3 SER 1 13.572 2.017 9.238 6 HB2 SER 1 HB2 SER 1 12.048 -0.431 10.533 7 HB3 SER 1 HB1 SER 1 13.606 -1.235 10.738 8 H SER 2 HN SER 2 11.027 0.001 8.236 9 HA SER 2 HA SER 2 11.334 -2.198 6.320 10 HG SER 2 HG SER 2 11.297 -3.673 8.234 11 HB2 SER 2 HB2 SER 2 9.043 -1.943 8.287 12 HB3 SER 2 HB1 SER 2 9.252 -3.218 7.085 13 H ASP 3 HN ASP 3 9.718 -2.175 4.634 14 HA ASP 3 HA ASP 3 8.814 0.549 4.075 15 HB2 ASP 3 HB2 ASP 3 8.636 -0.147 1.755 16 HB3 ASP 3 HB1 ASP 3 10.219 -0.583 2.384 17 H PHE 4 HN PHE 4 6.761 0.196 2.352 18 HA PHE 4 HA PHE 4 4.678 -0.730 4.204 19 HD1 PHE 4 HD2 PHE 4 3.292 1.416 5.310 20 HD2 PHE 4 HD1 PHE 4 6.001 2.848 2.357 21 HE1 PHE 4 HE2 PHE 4 3.901 3.294 6.781 22 HE2 PHE 4 HE1 PHE 4 6.617 4.723 3.825 23 HZ PHE 4 HZ PHE 4 5.534 4.965 6.029 24 HB2 PHE 4 HB2 PHE 4 4.499 1.127 1.824 25 HB3 PHE 4 HB1 PHE 4 3.171 0.711 2.898 26 H CYS 5 HN CYS 5 2.965 -2.039 3.495 27 HA CYS 5 HA CYS 5 3.087 -3.075 0.768 28 HG CYS 5 HG CYS 5 2.358 -6.967 1.811 29 HB2 CYS 5 HB2 CYS 5 4.452 -4.605 2.194 30 HB3 CYS 5 HB1 CYS 5 3.024 -4.905 3.178 31 H CYS 6 HN CYS 6 1.117 -3.750 -0.032 32 HA CYS 6 HA CYS 6 -1.232 -2.897 1.393 33 HB2 CYS 6 HB2 CYS 6 -1.100 -2.661 -1.045 34 HB3 CYS 6 HB1 CYS 6 -0.937 -4.402 -1.221 35 HA PRO 7 HA PRO 7 -1.338 -6.656 3.723 36 HB2 PRO 7 HB2 PRO 7 -4.068 -5.800 4.458 37 HB3 PRO 7 HB1 PRO 7 -2.664 -6.102 5.488 38 HG2 PRO 7 HG2 PRO 7 -3.527 -3.617 5.035 39 HG3 PRO 7 HG1 PRO 7 -1.794 -3.981 5.151 40 HD2 PRO 7 HD2 PRO 7 -3.486 -3.543 2.712 41 HD3 PRO 7 HD1 PRO 7 -1.853 -2.937 3.075 42 H LYS 8 HN LYS 8 -3.840 -5.795 1.446 43 HA LYS 8 HA LYS 8 -4.892 -8.532 1.504 44 HB2 LYS 8 HB2 LYS 8 -6.018 -6.084 0.141 45 HB3 LYS 8 HB1 LYS 8 -6.801 -7.654 0.264 46 HG2 LYS 8 HG2 LYS 8 -6.824 -7.398 2.726 47 HG3 LYS 8 HG1 LYS 8 -6.164 -5.773 2.525 48 HD2 LYS 8 HD2 LYS 8 -8.556 -5.633 2.810 49 HD3 LYS 8 HD1 LYS 8 -8.135 -5.181 1.158 50 HE2 LYS 8 HE2 LYS 8 -8.775 -7.392 0.369 51 HE3 LYS 8 HE1 LYS 8 -9.137 -7.895 2.020 52 HZ1 LYS 8 HZ1 LYS 8 -11.169 -7.327 0.944 53 HZ2 LYS 8 HZ2 LYS 8 -10.564 -5.835 0.424 54 HZ3 LYS 8 HZ3 LYS 8 -10.839 -6.103 2.070 55 H CYS 9 HN CYS 9 -2.440 -7.158 0.059 56 HA CYS 9 HA CYS 9 -2.753 -8.729 -2.391 57 HB2 CYS 9 HB2 CYS 9 -1.843 -5.838 -2.350 58 HB3 CYS 9 HB1 CYS 9 -1.758 -6.899 -3.749 59 H GLN 10 HN GLN 10 -0.456 -8.463 -3.618 60 HA GLN 10 HA GLN 10 1.662 -8.381 -1.575 61 HB2 GLN 10 HB2 GLN 10 1.459 -10.081 -4.059 62 HB3 GLN 10 HB1 GLN 10 2.996 -9.781 -3.260 63 HG2 GLN 10 HG2 GLN 10 0.595 -11.033 -1.940 64 HG3 GLN 10 HG1 GLN 10 1.953 -11.927 -2.622 65 HE21 GLN 10 HE21 GLN 10 2.438 -12.839 -0.607 66 HE22 GLN 10 HE22 GLN 10 3.196 -11.917 0.652 67 H TYR 11 HN TYR 11 1.974 -6.223 -1.755 68 HA TYR 11 HA TYR 11 3.424 -5.287 -4.072 69 HD1 TYR 11 HD1 TYR 11 2.551 -3.758 -6.456 70 HD2 TYR 11 HD2 TYR 11 1.518 -1.767 -2.843 71 HE1 TYR 11 HE1 TYR 11 3.237 -1.618 -7.448 72 HE2 TYR 11 HE2 TYR 11 2.201 0.379 -3.819 73 HH TYR 11 HH TYR 11 2.695 0.852 -7.083 74 HB2 TYR 11 HB2 TYR 11 1.122 -4.825 -4.762 75 HB3 TYR 11 HB1 TYR 11 0.805 -4.019 -3.230 76 H GLN 12 HN GLN 12 5.071 -4.162 -3.319 77 HA GLN 12 HA GLN 12 4.849 -3.049 -0.601 78 HB2 GLN 12 HB2 GLN 12 7.206 -4.339 -1.984 79 HB3 GLN 12 HB1 GLN 12 7.293 -3.533 -0.422 80 HG2 GLN 12 HG2 GLN 12 5.855 -5.139 0.578 81 HG3 GLN 12 HG1 GLN 12 5.465 -5.850 -0.986 82 HE21 GLN 12 HE21 GLN 12 6.116 -7.885 -0.282 83 HE22 GLN 12 HE22 GLN 12 7.786 -8.301 -0.072 84 H ALA 13 HN ALA 13 4.972 -0.937 -0.516 85 HA ALA 13 HA ALA 13 6.241 0.511 -2.742 86 HB1 ALA 13 HB1 ALA 13 4.043 1.444 -0.894 87 HB2 ALA 13 HB2 ALA 13 3.826 0.886 -2.554 88 HB3 ALA 13 HB3 ALA 13 4.735 2.364 -2.233 89 HA PRO 14 HA PRO 14 9.170 2.075 0.187 90 HB2 PRO 14 HB2 PRO 14 10.086 4.208 -1.203 91 HB3 PRO 14 HB1 PRO 14 10.494 2.542 -1.627 92 HG2 PRO 14 HG2 PRO 14 8.456 4.362 -2.842 93 HG3 PRO 14 HG1 PRO 14 9.575 3.243 -3.642 94 HD2 PRO 14 HD2 PRO 14 6.949 2.673 -3.201 95 HD3 PRO 14 HD1 PRO 14 8.214 1.432 -3.283 96 H ASP 15 HN ASP 15 6.701 4.203 -1.154 97 HA ASP 15 HA ASP 15 6.900 5.850 1.272 98 HB2 ASP 15 HB2 ASP 15 6.033 7.749 -0.013 99 HB3 ASP 15 HB1 ASP 15 7.527 7.146 -0.718 100 H MET 16 HN MET 16 4.752 7.020 1.703 101 HA MET 16 HA MET 16 2.840 4.868 2.066 102 HB2 MET 16 HB2 MET 16 3.491 6.352 3.942 103 HB3 MET 16 HB1 MET 16 2.793 7.717 3.083 104 HG2 MET 16 HG2 MET 16 0.593 6.551 3.160 105 HG3 MET 16 HG1 MET 16 1.340 5.323 4.180 106 HE1 MET 16 HE1 MET 16 0.912 9.755 5.392 107 HE2 MET 16 HE2 MET 16 0.290 9.093 3.879 108 HE3 MET 16 HE3 MET 16 2.028 9.195 4.149 109 H ASP 17 HN ASP 17 3.181 7.758 0.171 110 HA ASP 17 HA ASP 17 0.441 8.253 -0.337 111 HB2 ASP 17 HB2 ASP 17 2.899 8.997 -1.934 112 HB3 ASP 17 HB1 ASP 17 1.276 9.583 -2.287 113 H THR 18 HN THR 18 2.932 6.548 -2.184 114 HA THR 18 HA THR 18 1.302 5.741 -4.324 115 HB THR 18 HB THR 18 3.690 4.257 -3.202 116 HG1 THR 18 HG1 THR 18 4.349 6.350 -3.577 117 HG21 THR 18 HG21 THR 18 2.575 4.399 -6.007 118 HG22 THR 18 HG22 THR 18 2.399 3.033 -4.905 119 HG23 THR 18 HG23 THR 18 3.997 3.493 -5.492 120 H LEU 19 HN LEU 19 1.999 4.260 -1.199 121 HA LEU 19 HA LEU 19 0.646 1.826 -1.589 122 HG LEU 19 HG LEU 19 -0.615 1.428 1.028 123 HB2 LEU 19 HB2 LEU 19 2.176 2.257 0.293 124 HB3 LEU 19 HB1 LEU 19 1.028 3.403 0.961 125 HD11 LEU 19 HD11 LEU 19 1.982 -0.064 0.734 126 HD12 LEU 19 HD12 LEU 19 0.604 -0.108 -0.367 127 HD13 LEU 19 HD13 LEU 19 0.457 -0.773 1.260 128 HD21 LEU 19 HD21 LEU 19 0.211 2.376 3.040 129 HD22 LEU 19 HD22 LEU 19 1.787 1.622 2.824 130 HD23 LEU 19 HD23 LEU 19 0.377 0.625 3.180 131 H GLN 20 HN GLN 20 -0.399 4.929 -0.282 132 HA GLN 20 HA GLN 20 -2.963 4.286 0.543 133 HB2 GLN 20 HB2 GLN 20 -1.763 6.403 1.010 134 HB3 GLN 20 HB1 GLN 20 -2.013 6.892 -0.658 135 HG2 GLN 20 HG2 GLN 20 -4.394 6.975 -0.325 136 HG3 GLN 20 HG1 GLN 20 -4.220 6.339 1.312 137 HE21 GLN 20 HE21 GLN 20 -2.008 8.634 -0.091 138 HE22 GLN 20 HE22 GLN 20 -2.436 9.972 0.919 139 H ILE 21 HN ILE 21 -1.860 5.368 -2.652 140 HA ILE 21 HA ILE 21 -4.457 5.411 -3.809 141 HB ILE 21 HB ILE 21 -1.765 5.197 -5.167 142 HG12 ILE 21 HG12 ILE 21 -3.523 7.562 -4.495 143 HG13 ILE 21 HG11 ILE 21 -1.950 7.198 -3.799 144 HG21 ILE 21 HG21 ILE 21 -2.904 6.002 -7.168 145 HG22 ILE 21 HG22 ILE 21 -4.444 5.992 -6.309 146 HG23 ILE 21 HG23 ILE 21 -3.600 4.474 -6.625 147 HD11 ILE 21 HD11 ILE 21 -1.762 8.975 -5.413 148 HD12 ILE 21 HD12 ILE 21 -2.501 7.964 -6.654 149 HD13 ILE 21 HD13 ILE 21 -0.920 7.542 -5.999 150 H HIS 22 HN HIS 22 -1.956 2.953 -3.508 151 HA HIS 22 HA HIS 22 -3.195 1.092 -5.274 152 HD1 HIS 22 HD1 HIS 22 -1.179 -1.273 -6.271 153 HD2 HIS 22 HD2 HIS 22 -2.152 -1.773 -2.259 154 HE1 HIS 22 HE1 HIS 22 -1.514 -3.757 -5.926 155 HB2 HIS 22 HB2 HIS 22 -0.834 0.858 -4.804 156 HB3 HIS 22 HB1 HIS 22 -1.151 0.695 -3.079 157 H VAL 23 HN VAL 23 -3.240 1.501 -1.730 158 HA VAL 23 HA VAL 23 -4.850 -0.839 -1.334 159 HB VAL 23 HB VAL 23 -4.433 1.422 0.631 160 HG11 VAL 23 HG11 VAL 23 -5.087 -1.492 1.065 161 HG12 VAL 23 HG12 VAL 23 -6.221 -0.150 1.221 162 HG13 VAL 23 HG13 VAL 23 -4.850 -0.279 2.325 163 HG21 VAL 23 HG21 VAL 23 -2.749 -1.038 0.170 164 HG22 VAL 23 HG22 VAL 23 -2.570 0.087 1.518 165 HG23 VAL 23 HG23 VAL 23 -2.274 0.635 -0.132 166 H MET 24 HN MET 24 -5.542 2.209 -2.502 167 HA MET 24 HA MET 24 -8.092 2.716 -1.408 168 HB2 MET 24 HB2 MET 24 -6.624 4.313 -2.714 169 HB3 MET 24 HB1 MET 24 -7.156 3.485 -4.170 170 HG2 MET 24 HG2 MET 24 -8.426 5.514 -3.820 171 HG3 MET 24 HG1 MET 24 -9.465 4.099 -3.689 172 HE1 MET 24 HE1 MET 24 -7.907 6.395 0.004 173 HE2 MET 24 HE2 MET 24 -7.508 6.869 -1.649 174 HE3 MET 24 HE3 MET 24 -6.909 5.340 -1.000 175 H GLU 25 HN GLU 25 -7.046 0.259 -3.467 176 HA GLU 25 HA GLU 25 -9.221 -0.357 -5.071 177 HB2 GLU 25 HB2 GLU 25 -7.531 -2.282 -3.476 178 HB3 GLU 25 HB1 GLU 25 -8.542 -2.704 -4.849 179 HG2 GLU 25 HG2 GLU 25 -7.147 -1.486 -6.341 180 HG3 GLU 25 HG1 GLU 25 -6.223 -0.803 -5.001 181 H PHE 26 HN PHE 26 -8.880 -0.590 -1.617 182 HA PHE 26 HA PHE 26 -11.244 -2.325 -1.489 183 HD1 PHE 26 HD2 PHE 26 -10.339 -4.304 -2.048 184 HD2 PHE 26 HD1 PHE 26 -7.004 -2.834 0.150 185 HE1 PHE 26 HE2 PHE 26 -8.839 -5.667 -3.429 186 HE2 PHE 26 HE1 PHE 26 -5.495 -4.199 -1.234 187 HZ PHE 26 HZ PHE 26 -6.411 -5.628 -3.020 188 HB2 PHE 26 HB2 PHE 26 -9.108 -2.010 0.620 189 HB3 PHE 26 HB1 PHE 26 -10.350 -3.261 0.519 190 H ILE 27 HN ILE 27 -11.820 0.265 -1.811 191 HA ILE 27 HA ILE 27 -12.650 1.225 0.809 192 HB ILE 27 HB ILE 27 -13.983 2.904 -0.726 193 HG12 ILE 27 HG12 ILE 27 -12.664 3.453 -2.775 194 HG13 ILE 27 HG11 ILE 27 -11.784 1.946 -2.574 195 HG21 ILE 27 HG21 ILE 27 -12.259 3.542 0.825 196 HG22 ILE 27 HG22 ILE 27 -12.025 4.395 -0.700 197 HG23 ILE 27 HG23 ILE 27 -11.005 3.013 -0.296 198 HD11 ILE 27 HD11 ILE 27 -13.520 1.746 -4.252 199 HD12 ILE 27 HD12 ILE 27 -14.738 2.226 -3.071 200 HD13 ILE 27 HD13 ILE 27 -13.869 0.705 -2.870 201 H GLU 28 HN GLU 28 -13.552 -1.110 -1.219 202 HA GLU 28 HA GLU 28 -16.332 -1.059 -0.264 203 HB2 GLU 28 HB2 GLU 28 -15.282 -2.300 -2.814 204 HB3 GLU 28 HB1 GLU 28 -16.942 -2.389 -2.243 205 HG2 GLU 28 HG2 GLU 28 -17.169 0.017 -2.475 206 HG3 GLU 28 HG1 GLU 28 -15.489 0.135 -2.995 Start of MODEL 4 1 HA SER 1 HA SER 1 8.259 1.709 9.383 2 HG SER 1 HG SER 1 10.812 -1.314 8.785 3 H1 SER 1 HT1 SER 1 7.878 -0.764 7.813 4 H2 SER 1 HT2 SER 1 6.660 0.330 8.258 5 H3 SER 1 HT3 SER 1 7.491 -0.549 9.448 6 HB2 SER 1 HB2 SER 1 10.706 1.175 8.962 7 HB3 SER 1 HB1 SER 1 9.878 0.103 10.093 8 H SER 2 HN SER 2 10.130 0.467 6.685 9 HA SER 2 HA SER 2 9.414 2.884 5.177 10 HG SER 2 HG SER 2 12.918 0.854 4.802 11 HB2 SER 2 HB2 SER 2 11.564 2.332 3.919 12 HB3 SER 2 HB1 SER 2 11.753 2.820 5.604 13 H ASP 3 HN ASP 3 9.081 -0.510 5.194 14 HA ASP 3 HA ASP 3 8.450 -0.573 2.340 15 HB2 ASP 3 HB2 ASP 3 8.698 -2.824 4.347 16 HB3 ASP 3 HB1 ASP 3 8.258 -3.037 2.658 17 H PHE 4 HN PHE 4 6.490 0.344 2.121 18 HA PHE 4 HA PHE 4 4.373 -0.271 4.023 19 HD1 PHE 4 HD2 PHE 4 3.458 2.242 5.118 20 HD2 PHE 4 HD1 PHE 4 6.336 2.831 2.036 21 HE1 PHE 4 HE2 PHE 4 4.549 3.983 6.473 22 HE2 PHE 4 HE1 PHE 4 7.429 4.572 3.386 23 HZ PHE 4 HZ PHE 4 6.536 5.149 5.607 24 HB2 PHE 4 HB2 PHE 4 4.379 1.567 1.615 25 HB3 PHE 4 HB1 PHE 4 3.090 1.439 2.806 26 H CYS 5 HN CYS 5 3.579 -2.261 3.679 27 HA CYS 5 HA CYS 5 3.232 -3.218 0.943 28 HG CYS 5 HG CYS 5 5.351 -4.333 4.051 29 HB2 CYS 5 HB2 CYS 5 2.806 -4.711 3.536 30 HB3 CYS 5 HB1 CYS 5 2.968 -5.402 1.926 31 H CYS 6 HN CYS 6 1.281 -3.844 0.080 32 HA CYS 6 HA CYS 6 -1.135 -2.817 1.298 33 HB2 CYS 6 HB2 CYS 6 -0.807 -2.799 -1.179 34 HB3 CYS 6 HB1 CYS 6 -0.802 -4.558 -1.167 35 HA PRO 7 HA PRO 7 -1.478 -6.465 3.828 36 HB2 PRO 7 HB2 PRO 7 -4.265 -5.528 4.212 37 HB3 PRO 7 HB1 PRO 7 -3.013 -5.863 5.413 38 HG2 PRO 7 HG2 PRO 7 -3.706 -3.359 4.833 39 HG3 PRO 7 HG1 PRO 7 -2.012 -3.789 5.138 40 HD2 PRO 7 HD2 PRO 7 -3.409 -3.314 2.526 41 HD3 PRO 7 HD1 PRO 7 -1.792 -2.788 3.051 42 H LYS 8 HN LYS 8 -3.624 -5.679 1.213 43 HA LYS 8 HA LYS 8 -4.760 -8.377 1.211 44 HB2 LYS 8 HB2 LYS 8 -5.432 -6.027 -0.566 45 HB3 LYS 8 HB1 LYS 8 -6.318 -7.542 -0.457 46 HG2 LYS 8 HG2 LYS 8 -6.839 -7.033 1.898 47 HG3 LYS 8 HG1 LYS 8 -6.030 -5.477 1.711 48 HD2 LYS 8 HD2 LYS 8 -7.624 -4.901 -0.086 49 HD3 LYS 8 HD1 LYS 8 -8.458 -6.432 0.195 50 HE2 LYS 8 HE2 LYS 8 -8.133 -4.168 2.160 51 HE3 LYS 8 HE1 LYS 8 -9.615 -4.632 1.328 52 HZ1 LYS 8 HZ1 LYS 8 -8.134 -6.309 3.283 53 HZ2 LYS 8 HZ2 LYS 8 -9.556 -6.753 2.482 54 HZ3 LYS 8 HZ3 LYS 8 -9.574 -5.467 3.587 55 H CYS 9 HN CYS 9 -1.998 -7.171 0.221 56 HA CYS 9 HA CYS 9 -1.874 -8.857 -2.173 57 HB2 CYS 9 HB2 CYS 9 -0.783 -6.032 -2.018 58 HB3 CYS 9 HB1 CYS 9 -0.519 -7.150 -3.348 59 H GLN 10 HN GLN 10 0.590 -8.904 -2.868 60 HA GLN 10 HA GLN 10 2.252 -9.073 -0.435 61 HB2 GLN 10 HB2 GLN 10 2.731 -10.325 -3.154 62 HB3 GLN 10 HB1 GLN 10 3.724 -10.551 -1.718 63 HG2 GLN 10 HG2 GLN 10 1.822 -11.615 -0.588 64 HG3 GLN 10 HG1 GLN 10 0.863 -11.429 -2.056 65 HE21 GLN 10 HE21 GLN 10 1.365 -12.686 -3.870 66 HE22 GLN 10 HE22 GLN 10 2.324 -14.122 -3.733 67 H TYR 11 HN TYR 11 1.392 -6.957 -2.509 68 HA TYR 11 HA TYR 11 3.780 -6.029 -3.757 69 HD1 TYR 11 HD1 TYR 11 3.279 -4.803 -6.299 70 HD2 TYR 11 HD2 TYR 11 1.683 -2.394 -3.173 71 HE1 TYR 11 HE1 TYR 11 4.069 -2.785 -7.455 72 HE2 TYR 11 HE2 TYR 11 2.478 -0.372 -4.322 73 HH TYR 11 HH TYR 11 4.263 0.222 -5.993 74 HB2 TYR 11 HB2 TYR 11 1.549 -5.654 -4.716 75 HB3 TYR 11 HB1 TYR 11 1.101 -4.689 -3.314 76 H GLN 12 HN GLN 12 5.316 -4.836 -2.908 77 HA GLN 12 HA GLN 12 4.783 -3.410 -0.387 78 HB2 GLN 12 HB2 GLN 12 7.456 -4.246 -1.524 79 HB3 GLN 12 HB1 GLN 12 7.158 -3.576 0.073 80 HG2 GLN 12 HG2 GLN 12 5.858 -5.570 0.657 81 HG3 GLN 12 HG1 GLN 12 6.192 -6.245 -0.937 82 HE21 GLN 12 HE21 GLN 12 7.254 -8.031 -0.130 83 HE22 GLN 12 HE22 GLN 12 8.821 -7.929 0.596 84 H ALA 13 HN ALA 13 4.766 -1.255 -0.458 85 HA ALA 13 HA ALA 13 5.847 0.067 -2.853 86 HB1 ALA 13 HB1 ALA 13 4.334 1.910 -2.334 87 HB2 ALA 13 HB2 ALA 13 3.803 1.078 -0.874 88 HB3 ALA 13 HB3 ALA 13 3.447 0.390 -2.457 89 HA PRO 14 HA PRO 14 8.880 1.933 -0.201 90 HB2 PRO 14 HB2 PRO 14 10.049 3.538 -1.990 91 HB3 PRO 14 HB1 PRO 14 10.169 1.779 -2.130 92 HG2 PRO 14 HG2 PRO 14 8.421 3.684 -3.623 93 HG3 PRO 14 HG1 PRO 14 9.278 2.252 -4.217 94 HD2 PRO 14 HD2 PRO 14 6.590 2.338 -3.538 95 HD3 PRO 14 HD1 PRO 14 7.568 0.862 -3.641 96 H ASP 15 HN ASP 15 6.055 3.277 -0.842 97 HA ASP 15 HA ASP 15 6.687 5.718 0.585 98 HB2 ASP 15 HB2 ASP 15 6.931 6.347 -1.792 99 HB3 ASP 15 HB1 ASP 15 5.283 5.808 -2.086 100 H MET 16 HN MET 16 4.939 6.590 1.664 101 HA MET 16 HA MET 16 2.941 4.636 2.336 102 HB2 MET 16 HB2 MET 16 4.029 6.024 4.055 103 HB3 MET 16 HB1 MET 16 3.315 7.461 3.339 104 HG2 MET 16 HG2 MET 16 1.086 6.620 3.859 105 HG3 MET 16 HG1 MET 16 1.796 5.173 4.572 106 HE1 MET 16 HE1 MET 16 0.372 5.619 6.780 107 HE2 MET 16 HE2 MET 16 -0.306 7.091 6.085 108 HE3 MET 16 HE3 MET 16 0.422 7.128 7.690 109 H ASP 17 HN ASP 17 3.033 7.689 0.594 110 HA ASP 17 HA ASP 17 0.167 7.957 0.484 111 HB2 ASP 17 HB2 ASP 17 1.756 9.903 0.401 112 HB3 ASP 17 HB1 ASP 17 2.237 9.372 -1.208 113 H THR 18 HN THR 18 2.757 6.869 -1.630 114 HA THR 18 HA THR 18 1.232 6.271 -3.899 115 HB THR 18 HB THR 18 3.645 4.780 -2.849 116 HG1 THR 18 HG1 THR 18 3.380 7.287 -3.723 117 HG21 THR 18 HG21 THR 18 2.442 3.559 -4.619 118 HG22 THR 18 HG22 THR 18 4.011 4.135 -5.181 119 HG23 THR 18 HG23 THR 18 2.541 4.981 -5.659 120 H LEU 19 HN LEU 19 1.869 4.373 -0.964 121 HA LEU 19 HA LEU 19 0.472 2.056 -1.766 122 HG LEU 19 HG LEU 19 -0.845 1.363 0.914 123 HB2 LEU 19 HB2 LEU 19 1.994 2.069 0.163 124 HB3 LEU 19 HB1 LEU 19 0.908 3.149 1.018 125 HD11 LEU 19 HD11 LEU 19 1.450 -0.352 -0.019 126 HD12 LEU 19 HD12 LEU 19 0.068 0.138 -0.997 127 HD13 LEU 19 HD13 LEU 19 -0.170 -0.906 0.403 128 HD21 LEU 19 HD21 LEU 19 0.071 0.072 2.733 129 HD22 LEU 19 HD22 LEU 19 0.555 1.759 2.905 130 HD23 LEU 19 HD23 LEU 19 1.708 0.566 2.307 131 H GLN 20 HN GLN 20 -0.532 4.975 -0.040 132 HA GLN 20 HA GLN 20 -3.169 4.313 0.520 133 HB2 GLN 20 HB2 GLN 20 -2.110 6.362 1.348 134 HB3 GLN 20 HB1 GLN 20 -2.054 7.008 -0.287 135 HG2 GLN 20 HG2 GLN 20 -4.537 6.924 -0.342 136 HG3 GLN 20 HG1 GLN 20 -4.515 6.440 1.352 137 HE21 GLN 20 HE21 GLN 20 -2.222 8.143 1.961 138 HE22 GLN 20 HE22 GLN 20 -2.814 9.769 1.992 139 H ILE 21 HN ILE 21 -1.797 5.711 -2.434 140 HA ILE 21 HA ILE 21 -4.250 5.906 -3.840 141 HB ILE 21 HB ILE 21 -1.448 5.667 -4.949 142 HG12 ILE 21 HG12 ILE 21 -3.124 8.131 -4.420 143 HG13 ILE 21 HG11 ILE 21 -1.806 7.582 -3.393 144 HG21 ILE 21 HG21 ILE 21 -3.127 5.155 -6.632 145 HG22 ILE 21 HG22 ILE 21 -2.381 6.719 -6.962 146 HG23 ILE 21 HG23 ILE 21 -3.990 6.645 -6.245 147 HD11 ILE 21 HD11 ILE 21 -1.560 8.444 -6.263 148 HD12 ILE 21 HD12 ILE 21 -0.238 7.911 -5.224 149 HD13 ILE 21 HD13 ILE 21 -1.113 9.396 -4.848 150 H HIS 22 HN HIS 22 -1.737 3.417 -3.706 151 HA HIS 22 HA HIS 22 -2.755 1.650 -5.601 152 HD1 HIS 22 HD1 HIS 22 -0.902 -0.821 -6.266 153 HD2 HIS 22 HD2 HIS 22 -2.208 -1.346 -2.348 154 HE1 HIS 22 HE1 HIS 22 -1.238 -3.312 -5.956 155 HB2 HIS 22 HB2 HIS 22 -0.568 1.272 -4.689 156 HB3 HIS 22 HB1 HIS 22 -1.208 1.140 -3.055 157 H VAL 23 HN VAL 23 -3.417 1.821 -2.112 158 HA VAL 23 HA VAL 23 -5.273 -0.357 -2.209 159 HB VAL 23 HB VAL 23 -4.959 1.690 -0.007 160 HG11 VAL 23 HG11 VAL 23 -6.059 -1.114 -0.002 161 HG12 VAL 23 HG12 VAL 23 -6.998 0.372 0.146 162 HG13 VAL 23 HG13 VAL 23 -5.865 -0.084 1.418 163 HG21 VAL 23 HG21 VAL 23 -2.810 0.637 -0.506 164 HG22 VAL 23 HG22 VAL 23 -3.553 -0.956 -0.360 165 HG23 VAL 23 HG23 VAL 23 -3.436 0.097 1.050 166 H MET 24 HN MET 24 -5.533 3.161 -2.073 167 HA MET 24 HA MET 24 -7.215 4.602 -2.493 168 HB2 MET 24 HB2 MET 24 -7.374 3.474 -4.651 169 HB3 MET 24 HB1 MET 24 -8.450 2.267 -3.961 170 HG2 MET 24 HG2 MET 24 -10.110 4.020 -3.518 171 HG3 MET 24 HG1 MET 24 -9.032 5.208 -4.250 172 HE1 MET 24 HE1 MET 24 -8.429 5.278 -6.834 173 HE2 MET 24 HE2 MET 24 -8.906 4.021 -7.975 174 HE3 MET 24 HE3 MET 24 -7.782 3.646 -6.669 175 H GLU 25 HN GLU 25 -9.396 1.790 -2.338 176 HA GLU 25 HA GLU 25 -10.276 2.420 0.304 177 HB2 GLU 25 HB2 GLU 25 -11.207 4.306 -1.005 178 HB3 GLU 25 HB1 GLU 25 -12.107 3.158 -1.977 179 HG2 GLU 25 HG2 GLU 25 -13.327 2.417 -0.006 180 HG3 GLU 25 HG1 GLU 25 -12.418 3.551 0.990 181 H PHE 26 HN PHE 26 -10.728 0.493 1.073 182 HA PHE 26 HA PHE 26 -12.523 -1.242 -0.476 183 HD1 PHE 26 HD1 PHE 26 -9.218 -0.563 -1.164 184 HD2 PHE 26 HD2 PHE 26 -11.143 -4.338 -1.466 185 HE1 PHE 26 HE1 PHE 26 -8.308 -0.843 -3.433 186 HE2 PHE 26 HE2 PHE 26 -10.237 -4.640 -3.707 187 HZ PHE 26 HZ PHE 26 -8.883 -2.759 -4.757 188 HB2 PHE 26 HB2 PHE 26 -9.962 -2.068 0.891 189 HB3 PHE 26 HB1 PHE 26 -11.240 -3.223 0.519 190 H ILE 27 HN ILE 27 -12.142 0.569 2.137 191 HA ILE 27 HA ILE 27 -13.340 0.860 4.033 192 HB ILE 27 HB ILE 27 -14.851 -1.629 3.226 193 HG12 ILE 27 HG12 ILE 27 -15.572 1.293 2.890 194 HG13 ILE 27 HG11 ILE 27 -15.008 0.242 1.595 195 HG21 ILE 27 HG21 ILE 27 -15.053 -1.193 5.612 196 HG22 ILE 27 HG22 ILE 27 -16.573 -0.843 4.790 197 HG23 ILE 27 HG23 ILE 27 -15.513 0.477 5.282 198 HD11 ILE 27 HD11 ILE 27 -17.408 0.507 1.511 199 HD12 ILE 27 HD12 ILE 27 -17.553 -0.079 3.168 200 HD13 ILE 27 HD13 ILE 27 -16.992 -1.163 1.894 201 H GLU 28 HN GLU 28 -13.107 -2.693 3.773 202 HA GLU 28 HA GLU 28 -12.162 -2.768 6.525 203 HB2 GLU 28 HB2 GLU 28 -12.388 -5.284 6.182 204 HB3 GLU 28 HB1 GLU 28 -13.871 -4.340 6.157 205 HG2 GLU 28 HG2 GLU 28 -13.988 -4.470 3.773 206 HG3 GLU 28 HG1 GLU 28 -12.394 -5.219 3.689 Start of MODEL 5 1 HA SER 1 HA SER 1 8.066 -1.210 7.660 2 HG SER 1 HG SER 1 9.183 -2.423 9.690 3 H1 SER 1 HT1 SER 1 10.081 -2.405 7.174 4 H2 SER 1 HT2 SER 1 10.886 -0.965 6.787 5 H3 SER 1 HT3 SER 1 9.602 -1.502 5.821 6 HB2 SER 1 HB2 SER 1 10.399 0.075 9.088 7 HB3 SER 1 HB1 SER 1 8.780 -0.218 9.727 8 H SER 2 HN SER 2 10.667 0.818 6.410 9 HA SER 2 HA SER 2 9.035 3.187 6.320 10 HG SER 2 HG SER 2 11.836 4.289 6.850 11 HB2 SER 2 HB2 SER 2 11.590 2.523 4.822 12 HB3 SER 2 HB1 SER 2 10.877 4.127 4.999 13 H ASP 3 HN ASP 3 9.552 0.386 4.454 14 HA ASP 3 HA ASP 3 8.031 1.345 2.181 15 HB2 ASP 3 HB2 ASP 3 8.289 -0.965 1.351 16 HB3 ASP 3 HB1 ASP 3 9.844 -0.275 1.803 17 H PHE 4 HN PHE 4 5.915 0.770 1.764 18 HA PHE 4 HA PHE 4 4.476 -0.414 4.049 19 HD1 PHE 4 HD1 PHE 4 5.400 3.225 2.731 20 HD2 PHE 4 HD2 PHE 4 2.767 1.611 5.663 21 HE1 PHE 4 HE1 PHE 4 6.155 4.923 4.342 22 HE2 PHE 4 HE2 PHE 4 3.519 3.308 7.276 23 HZ PHE 4 HZ PHE 4 5.214 4.968 6.618 24 HB2 PHE 4 HB2 PHE 4 3.554 1.732 2.124 25 HB3 PHE 4 HB1 PHE 4 2.549 1.000 3.368 26 H CYS 5 HN CYS 5 3.667 -2.347 3.585 27 HA CYS 5 HA CYS 5 3.250 -3.061 0.791 28 HG CYS 5 HG CYS 5 2.000 -5.334 4.142 29 HB2 CYS 5 HB2 CYS 5 3.064 -5.382 1.655 30 HB3 CYS 5 HB1 CYS 5 4.595 -4.612 2.056 31 H CYS 6 HN CYS 6 1.311 -3.871 -0.012 32 HA CYS 6 HA CYS 6 -1.070 -2.963 1.343 33 HB2 CYS 6 HB2 CYS 6 -0.853 -2.831 -1.130 34 HB3 CYS 6 HB1 CYS 6 -0.792 -4.587 -1.204 35 HA PRO 7 HA PRO 7 -1.185 -6.716 3.767 36 HB2 PRO 7 HB2 PRO 7 -3.922 -5.742 4.379 37 HB3 PRO 7 HB1 PRO 7 -2.606 -6.170 5.480 38 HG2 PRO 7 HG2 PRO 7 -3.253 -3.621 5.080 39 HG3 PRO 7 HG1 PRO 7 -1.554 -4.107 5.228 40 HD2 PRO 7 HD2 PRO 7 -3.133 -3.456 2.766 41 HD3 PRO 7 HD1 PRO 7 -1.465 -3.010 3.186 42 H LYS 8 HN LYS 8 -3.568 -5.765 1.425 43 HA LYS 8 HA LYS 8 -4.789 -8.422 1.415 44 HB2 LYS 8 HB2 LYS 8 -5.608 -6.027 -0.228 45 HB3 LYS 8 HB1 LYS 8 -6.573 -7.447 0.166 46 HG2 LYS 8 HG2 LYS 8 -6.536 -6.779 2.538 47 HG3 LYS 8 HG1 LYS 8 -5.644 -5.328 2.094 48 HD2 LYS 8 HD2 LYS 8 -7.905 -4.678 2.308 49 HD3 LYS 8 HD1 LYS 8 -7.580 -4.754 0.576 50 HE2 LYS 8 HE2 LYS 8 -8.707 -6.833 0.374 51 HE3 LYS 8 HE1 LYS 8 -8.797 -7.025 2.124 52 HZ1 LYS 8 HZ1 LYS 8 -10.250 -5.065 2.192 53 HZ2 LYS 8 HZ2 LYS 8 -10.913 -6.329 1.280 54 HZ3 LYS 8 HZ3 LYS 8 -10.224 -4.998 0.500 55 H CYS 9 HN CYS 9 -2.123 -7.281 0.230 56 HA CYS 9 HA CYS 9 -2.228 -8.931 -2.185 57 HB2 CYS 9 HB2 CYS 9 -1.077 -6.128 -2.101 58 HB3 CYS 9 HB1 CYS 9 -0.908 -7.251 -3.443 59 H GLN 10 HN GLN 10 0.289 -8.768 -3.062 60 HA GLN 10 HA GLN 10 2.007 -9.189 -0.699 61 HB2 GLN 10 HB2 GLN 10 2.455 -10.124 -3.544 62 HB3 GLN 10 HB1 GLN 10 3.459 -10.504 -2.152 63 HG2 GLN 10 HG2 GLN 10 1.558 -11.701 -1.143 64 HG3 GLN 10 HG1 GLN 10 0.613 -11.375 -2.597 65 HE21 GLN 10 HE21 GLN 10 1.358 -13.932 -1.458 66 HE22 GLN 10 HE22 GLN 10 2.280 -14.762 -2.670 67 H TYR 11 HN TYR 11 1.131 -6.897 -2.698 68 HA TYR 11 HA TYR 11 3.583 -5.943 -3.815 69 HD1 TYR 11 HD1 TYR 11 3.219 -4.780 -6.381 70 HD2 TYR 11 HD2 TYR 11 1.480 -2.311 -3.385 71 HE1 TYR 11 HE1 TYR 11 4.093 -2.791 -7.522 72 HE2 TYR 11 HE2 TYR 11 2.354 -0.314 -4.515 73 HH TYR 11 HH TYR 11 4.205 0.268 -6.110 74 HB2 TYR 11 HB2 TYR 11 1.391 -5.588 -4.888 75 HB3 TYR 11 HB1 TYR 11 0.889 -4.599 -3.520 76 H GLN 12 HN GLN 12 5.017 -4.590 -2.939 77 HA GLN 12 HA GLN 12 4.191 -3.051 -0.572 78 HB2 GLN 12 HB2 GLN 12 6.596 -3.042 0.077 79 HB3 GLN 12 HB1 GLN 12 5.863 -4.637 0.077 80 HG2 GLN 12 HG2 GLN 12 7.845 -5.107 -0.933 81 HG3 GLN 12 HG1 GLN 12 6.862 -4.744 -2.349 82 HE21 GLN 12 HE21 GLN 12 8.046 -2.331 -0.112 83 HE22 GLN 12 HE22 GLN 12 9.156 -1.578 -1.209 84 H ALA 13 HN ALA 13 4.551 -0.897 -0.499 85 HA ALA 13 HA ALA 13 5.577 0.341 -2.968 86 HB1 ALA 13 HB1 ALA 13 3.615 1.447 -0.956 87 HB2 ALA 13 HB2 ALA 13 3.211 0.790 -2.542 88 HB3 ALA 13 HB3 ALA 13 4.167 2.267 -2.417 89 HA PRO 14 HA PRO 14 8.875 1.925 -0.567 90 HB2 PRO 14 HB2 PRO 14 9.686 4.000 -2.089 91 HB3 PRO 14 HB1 PRO 14 9.905 2.316 -2.576 92 HG2 PRO 14 HG2 PRO 14 7.834 4.289 -3.445 93 HG3 PRO 14 HG1 PRO 14 8.712 3.087 -4.409 94 HD2 PRO 14 HD2 PRO 14 6.153 2.745 -3.500 95 HD3 PRO 14 HD1 PRO 14 7.265 1.409 -3.852 96 H ASP 15 HN ASP 15 6.085 3.897 -1.049 97 HA ASP 15 HA ASP 15 6.840 5.443 1.305 98 HB2 ASP 15 HB2 ASP 15 7.465 6.720 -0.833 99 HB3 ASP 15 HB1 ASP 15 5.733 6.898 -1.086 100 H MET 16 HN MET 16 4.987 6.737 2.132 101 HA MET 16 HA MET 16 2.823 4.989 2.569 102 HB2 MET 16 HB2 MET 16 3.642 6.637 4.222 103 HB3 MET 16 HB1 MET 16 3.032 7.938 3.210 104 HG2 MET 16 HG2 MET 16 0.751 7.044 3.485 105 HG3 MET 16 HG1 MET 16 1.393 5.807 4.564 106 HE1 MET 16 HE1 MET 16 -0.989 7.662 5.432 107 HE2 MET 16 HE2 MET 16 -0.499 8.108 7.065 108 HE3 MET 16 HE3 MET 16 -0.255 6.459 6.490 109 H ASP 17 HN ASP 17 3.111 7.967 0.652 110 HA ASP 17 HA ASP 17 0.372 8.201 0.013 111 HB2 ASP 17 HB2 ASP 17 0.975 9.952 -1.373 112 HB3 ASP 17 HB1 ASP 17 2.395 9.880 -0.337 113 H THR 18 HN THR 18 2.998 6.397 -1.394 114 HA THR 18 HA THR 18 1.777 5.854 -3.881 115 HB THR 18 HB THR 18 3.825 4.080 -2.574 116 HG1 THR 18 HG1 THR 18 4.029 6.739 -2.996 117 HG21 THR 18 HG21 THR 18 3.406 4.968 -5.429 118 HG22 THR 18 HG22 THR 18 2.932 3.405 -4.760 119 HG23 THR 18 HG23 THR 18 4.638 3.842 -4.858 120 H LEU 19 HN LEU 19 1.941 4.067 -0.815 121 HA LEU 19 HA LEU 19 0.473 1.818 -1.768 122 HG LEU 19 HG LEU 19 -1.018 1.154 0.804 123 HB2 LEU 19 HB2 LEU 19 1.902 1.675 0.225 124 HB3 LEU 19 HB1 LEU 19 0.850 2.804 1.064 125 HD11 LEU 19 HD11 LEU 19 -0.462 -1.153 0.253 126 HD12 LEU 19 HD12 LEU 19 1.201 -0.674 -0.103 127 HD13 LEU 19 HD13 LEU 19 -0.124 -0.073 -1.099 128 HD21 LEU 19 HD21 LEU 19 1.417 0.205 2.308 129 HD22 LEU 19 HD22 LEU 19 -0.238 -0.339 2.582 130 HD23 LEU 19 HD23 LEU 19 0.202 1.340 2.898 131 H GLN 20 HN GLN 20 -0.347 4.840 -0.199 132 HA GLN 20 HA GLN 20 -3.005 4.314 0.479 133 HB2 GLN 20 HB2 GLN 20 -1.528 6.323 1.093 134 HB3 GLN 20 HB1 GLN 20 -2.007 7.000 -0.456 135 HG2 GLN 20 HG2 GLN 20 -3.394 7.915 1.263 136 HG3 GLN 20 HG1 GLN 20 -4.369 6.850 0.251 137 HE21 GLN 20 HE21 GLN 20 -2.867 7.283 3.352 138 HE22 GLN 20 HE22 GLN 20 -3.731 6.025 4.174 139 H ILE 21 HN ILE 21 -1.566 5.430 -2.543 140 HA ILE 21 HA ILE 21 -4.094 5.754 -3.861 141 HB ILE 21 HB ILE 21 -1.348 5.519 -5.109 142 HG12 ILE 21 HG12 ILE 21 -2.914 7.978 -4.292 143 HG13 ILE 21 HG11 ILE 21 -1.479 7.362 -3.480 144 HG21 ILE 21 HG21 ILE 21 -2.383 6.720 -6.996 145 HG22 ILE 21 HG22 ILE 21 -3.945 6.611 -6.184 146 HG23 ILE 21 HG23 ILE 21 -3.124 5.144 -6.714 147 HD11 ILE 21 HD11 ILE 21 -0.937 9.250 -4.888 148 HD12 ILE 21 HD12 ILE 21 -1.609 8.425 -6.294 149 HD13 ILE 21 HD13 ILE 21 -0.165 7.786 -5.499 150 H HIS 22 HN HIS 22 -1.660 3.207 -3.630 151 HA HIS 22 HA HIS 22 -2.706 1.508 -5.620 152 HD1 HIS 22 HD1 HIS 22 -0.969 -1.137 -6.313 153 HD2 HIS 22 HD2 HIS 22 -2.078 -1.413 -2.308 154 HE1 HIS 22 HE1 HIS 22 -1.423 -3.586 -5.866 155 HB2 HIS 22 HB2 HIS 22 -0.504 1.031 -4.873 156 HB3 HIS 22 HB1 HIS 22 -0.999 0.983 -3.187 157 H VAL 23 HN VAL 23 -3.184 1.504 -2.081 158 HA VAL 23 HA VAL 23 -5.061 -0.636 -2.171 159 HB VAL 23 HB VAL 23 -3.614 -0.087 -0.206 160 HG11 VAL 23 HG11 VAL 23 -5.545 2.193 0.153 161 HG12 VAL 23 HG12 VAL 23 -3.816 2.308 -0.178 162 HG13 VAL 23 HG13 VAL 23 -4.378 1.649 1.359 163 HG21 VAL 23 HG21 VAL 23 -6.573 -0.212 0.325 164 HG22 VAL 23 HG22 VAL 23 -5.304 -0.587 1.491 165 HG23 VAL 23 HG23 VAL 23 -5.493 -1.576 0.046 166 H MET 24 HN MET 24 -5.217 2.714 -2.667 167 HA MET 24 HA MET 24 -6.843 4.120 -3.317 168 HB2 MET 24 HB2 MET 24 -8.537 1.629 -3.571 169 HB3 MET 24 HB1 MET 24 -8.980 3.218 -4.174 170 HG2 MET 24 HG2 MET 24 -7.002 3.179 -5.641 171 HG3 MET 24 HG1 MET 24 -6.648 1.546 -5.078 172 HE1 MET 24 HE1 MET 24 -6.632 0.488 -7.443 173 HE2 MET 24 HE2 MET 24 -6.840 2.102 -8.121 174 HE3 MET 24 HE3 MET 24 -7.871 0.780 -8.664 175 H GLU 25 HN GLU 25 -9.103 1.867 -1.726 176 HA GLU 25 HA GLU 25 -9.219 3.344 0.691 177 HB2 GLU 25 HB2 GLU 25 -10.688 4.425 -1.497 178 HB3 GLU 25 HB1 GLU 25 -11.826 3.828 -0.294 179 HG2 GLU 25 HG2 GLU 25 -9.695 5.909 0.024 180 HG3 GLU 25 HG1 GLU 25 -11.435 6.063 0.282 181 H PHE 26 HN PHE 26 -9.971 2.071 2.191 182 HA PHE 26 HA PHE 26 -12.387 0.500 1.753 183 HD1 PHE 26 HD1 PHE 26 -8.606 -0.420 0.800 184 HD2 PHE 26 HD2 PHE 26 -12.310 -2.496 0.940 185 HE1 PHE 26 HE1 PHE 26 -8.127 -1.409 -1.400 186 HE2 PHE 26 HE2 PHE 26 -11.841 -3.501 -1.239 187 HZ PHE 26 HZ PHE 26 -9.735 -2.916 -2.442 188 HB2 PHE 26 HB2 PHE 26 -9.841 -0.698 2.878 189 HB3 PHE 26 HB1 PHE 26 -11.415 -1.481 2.892 190 H ILE 27 HN ILE 27 -10.973 2.832 3.371 191 HA ILE 27 HA ILE 27 -10.621 3.561 5.492 192 HB ILE 27 HB ILE 27 -13.176 2.052 6.085 193 HG12 ILE 27 HG12 ILE 27 -12.782 4.902 5.137 194 HG13 ILE 27 HG11 ILE 27 -13.400 3.579 4.155 195 HG21 ILE 27 HG21 ILE 27 -11.895 4.414 7.464 196 HG22 ILE 27 HG22 ILE 27 -12.007 2.770 8.095 197 HG23 ILE 27 HG23 ILE 27 -13.472 3.725 7.859 198 HD11 ILE 27 HD11 ILE 27 -14.713 4.737 6.601 199 HD12 ILE 27 HD12 ILE 27 -15.331 3.392 5.643 200 HD13 ILE 27 HD13 ILE 27 -15.200 4.997 4.927 201 H GLU 28 HN GLU 28 -8.726 2.298 5.735 202 HA GLU 28 HA GLU 28 -9.027 -0.219 7.208 203 HB2 GLU 28 HB2 GLU 28 -6.710 0.922 5.645 204 HB3 GLU 28 HB1 GLU 28 -6.602 -0.542 6.611 205 HG2 GLU 28 HG2 GLU 28 -8.483 -0.138 4.295 206 HG3 GLU 28 HG1 GLU 28 -6.936 -0.980 4.211 Start of MODEL 6 1 HA SER 1 HA SER 1 9.263 -0.683 8.196 2 HG SER 1 HG SER 1 10.914 -0.710 10.408 3 H1 SER 1 HT1 SER 1 11.374 -1.754 7.875 4 H2 SER 1 HT2 SER 1 11.882 -0.532 6.823 5 H3 SER 1 HT3 SER 1 10.597 -1.550 6.382 6 HB2 SER 1 HB2 SER 1 11.448 1.366 8.561 7 HB3 SER 1 HB1 SER 1 10.022 1.111 9.568 8 H SER 2 HN SER 2 11.357 0.968 5.857 9 HA SER 2 HA SER 2 9.309 2.920 5.214 10 HG SER 2 HG SER 2 11.803 3.180 6.156 11 HB2 SER 2 HB2 SER 2 11.943 2.316 3.843 12 HB3 SER 2 HB1 SER 2 10.920 3.723 3.541 13 H ASP 3 HN ASP 3 9.118 -0.103 4.843 14 HA ASP 3 HA ASP 3 8.258 -0.102 2.041 15 HB2 ASP 3 HB2 ASP 3 8.257 -2.634 2.353 16 HB3 ASP 3 HB1 ASP 3 9.830 -1.849 2.330 17 H PHE 4 HN PHE 4 6.224 0.504 1.981 18 HA PHE 4 HA PHE 4 4.353 -0.376 4.053 19 HD1 PHE 4 HD1 PHE 4 6.053 2.843 2.711 20 HD2 PHE 4 HD2 PHE 4 2.608 2.047 5.069 21 HE1 PHE 4 HE1 PHE 4 6.782 4.540 4.335 22 HE2 PHE 4 HE2 PHE 4 3.327 3.740 6.703 23 HZ PHE 4 HZ PHE 4 5.417 4.989 6.338 24 HB2 PHE 4 HB2 PHE 4 4.105 1.643 1.808 25 HB3 PHE 4 HB1 PHE 4 2.777 1.193 2.867 26 H CYS 5 HN CYS 5 3.916 -2.496 3.570 27 HA CYS 5 HA CYS 5 3.330 -3.228 0.817 28 HG CYS 5 HG CYS 5 4.490 -4.788 4.706 29 HB2 CYS 5 HB2 CYS 5 3.255 -5.539 1.678 30 HB3 CYS 5 HB1 CYS 5 4.761 -4.732 2.105 31 H CYS 6 HN CYS 6 1.351 -3.842 0.059 32 HA CYS 6 HA CYS 6 -0.969 -3.122 1.596 33 HB2 CYS 6 HB2 CYS 6 -0.924 -2.851 -0.865 34 HB3 CYS 6 HB1 CYS 6 -0.781 -4.596 -1.046 35 HA PRO 7 HA PRO 7 -0.893 -6.962 3.816 36 HB2 PRO 7 HB2 PRO 7 -3.640 -6.208 4.600 37 HB3 PRO 7 HB1 PRO 7 -2.224 -6.516 5.609 38 HG2 PRO 7 HG2 PRO 7 -3.183 -4.035 5.246 39 HG3 PRO 7 HG1 PRO 7 -1.448 -4.353 5.418 40 HD2 PRO 7 HD2 PRO 7 -3.038 -3.772 2.953 41 HD3 PRO 7 HD1 PRO 7 -1.396 -3.252 3.390 42 H LYS 8 HN LYS 8 -3.443 -5.987 1.656 43 HA LYS 8 HA LYS 8 -4.531 -8.699 1.558 44 HB2 LYS 8 HB2 LYS 8 -5.571 -6.120 0.374 45 HB3 LYS 8 HB1 LYS 8 -6.417 -7.665 0.377 46 HG2 LYS 8 HG2 LYS 8 -6.539 -7.642 2.785 47 HG3 LYS 8 HG1 LYS 8 -5.573 -6.168 2.849 48 HD2 LYS 8 HD2 LYS 8 -7.342 -4.936 1.723 49 HD3 LYS 8 HD1 LYS 8 -8.306 -6.413 1.591 50 HE2 LYS 8 HE2 LYS 8 -8.452 -6.579 3.993 51 HE3 LYS 8 HE1 LYS 8 -7.370 -5.204 4.192 52 HZ1 LYS 8 HZ1 LYS 8 -9.715 -4.638 4.519 53 HZ2 LYS 8 HZ2 LYS 8 -10.058 -5.072 2.918 54 HZ3 LYS 8 HZ3 LYS 8 -9.027 -3.764 3.246 55 H CYS 9 HN CYS 9 -2.026 -7.400 0.200 56 HA CYS 9 HA CYS 9 -2.354 -8.885 -2.290 57 HB2 CYS 9 HB2 CYS 9 -1.375 -6.025 -2.191 58 HB3 CYS 9 HB1 CYS 9 -1.318 -7.062 -3.611 59 H GLN 10 HN GLN 10 -0.033 -8.717 -3.485 60 HA GLN 10 HA GLN 10 2.006 -9.211 -1.428 61 HB2 GLN 10 HB2 GLN 10 1.801 -9.989 -4.332 62 HB3 GLN 10 HB1 GLN 10 3.316 -10.094 -3.457 63 HG2 GLN 10 HG2 GLN 10 2.338 -12.255 -3.498 64 HG3 GLN 10 HG1 GLN 10 2.212 -11.645 -1.852 65 HE21 GLN 10 HE21 GLN 10 0.231 -11.353 -0.952 66 HE22 GLN 10 HE22 GLN 10 -1.245 -11.827 -1.720 67 H TYR 11 HN TYR 11 0.905 -6.661 -2.942 68 HA TYR 11 HA TYR 11 3.262 -5.598 -4.205 69 HD1 TYR 11 HD1 TYR 11 2.624 -3.948 -6.597 70 HD2 TYR 11 HD2 TYR 11 1.347 -2.099 -2.985 71 HE1 TYR 11 HE1 TYR 11 3.460 -1.782 -7.415 72 HE2 TYR 11 HE2 TYR 11 2.181 0.067 -3.791 73 HH TYR 11 HH TYR 11 3.915 0.880 -5.431 74 HB2 TYR 11 HB2 TYR 11 1.031 -5.062 -5.070 75 HB3 TYR 11 HB1 TYR 11 0.602 -4.315 -3.536 76 H GLN 12 HN GLN 12 4.730 -4.263 -3.354 77 HA GLN 12 HA GLN 12 4.230 -3.172 -0.666 78 HB2 GLN 12 HB2 GLN 12 6.900 -4.032 -1.800 79 HB3 GLN 12 HB1 GLN 12 6.608 -3.408 -0.182 80 HG2 GLN 12 HG2 GLN 12 5.158 -5.382 0.250 81 HG3 GLN 12 HG1 GLN 12 5.651 -6.025 -1.316 82 HE21 GLN 12 HE21 GLN 12 7.778 -6.741 -1.596 83 HE22 GLN 12 HE22 GLN 12 8.815 -7.061 -0.251 84 H ALA 13 HN ALA 13 4.479 -1.025 -0.442 85 HA ALA 13 HA ALA 13 5.536 0.485 -2.741 86 HB1 ALA 13 HB1 ALA 13 3.193 0.946 -2.135 87 HB2 ALA 13 HB2 ALA 13 4.221 2.364 -1.917 88 HB3 ALA 13 HB3 ALA 13 3.717 1.417 -0.518 89 HA PRO 14 HA PRO 14 8.860 1.779 -0.088 90 HB2 PRO 14 HB2 PRO 14 9.916 3.723 -1.584 91 HB3 PRO 14 HB1 PRO 14 9.963 2.034 -2.103 92 HG2 PRO 14 HG2 PRO 14 8.150 4.242 -2.987 93 HG3 PRO 14 HG1 PRO 14 8.918 2.966 -3.949 94 HD2 PRO 14 HD2 PRO 14 6.298 2.919 -3.047 95 HD3 PRO 14 HD1 PRO 14 7.234 1.489 -3.521 96 H ASP 15 HN ASP 15 6.087 3.555 -0.469 97 HA ASP 15 HA ASP 15 6.776 5.386 1.642 98 HB2 ASP 15 HB2 ASP 15 6.218 7.430 0.399 99 HB3 ASP 15 HB1 ASP 15 7.626 6.626 -0.290 100 H MET 16 HN MET 16 4.824 6.945 1.996 101 HA MET 16 HA MET 16 2.584 5.241 2.474 102 HB2 MET 16 HB2 MET 16 2.693 8.243 2.814 103 HB3 MET 16 HB1 MET 16 1.583 7.131 3.595 104 HG2 MET 16 HG2 MET 16 3.120 7.687 5.243 105 HG3 MET 16 HG1 MET 16 3.640 6.097 4.680 106 HE1 MET 16 HE1 MET 16 5.959 6.604 5.958 107 HE2 MET 16 HE2 MET 16 5.395 8.219 6.389 108 HE3 MET 16 HE3 MET 16 6.967 8.010 5.615 109 H ASP 17 HN ASP 17 3.226 7.939 0.279 110 HA ASP 17 HA ASP 17 0.557 8.393 -0.514 111 HB2 ASP 17 HB2 ASP 17 2.442 9.990 -0.840 112 HB3 ASP 17 HB1 ASP 17 3.070 8.938 -2.104 113 H THR 18 HN THR 18 3.161 6.488 -1.994 114 HA THR 18 HA THR 18 1.766 5.566 -4.232 115 HB THR 18 HB THR 18 3.896 4.117 -2.639 116 HG1 THR 18 HG1 THR 18 5.021 5.775 -3.365 117 HG21 THR 18 HG21 THR 18 3.058 3.748 -5.520 118 HG22 THR 18 HG22 THR 18 2.671 2.643 -4.201 119 HG23 THR 18 HG23 THR 18 4.348 2.884 -4.684 120 H LEU 19 HN LEU 19 1.840 4.339 -0.908 121 HA LEU 19 HA LEU 19 0.257 2.025 -1.460 122 HG LEU 19 HG LEU 19 -1.153 1.610 1.019 123 HB2 LEU 19 HB2 LEU 19 1.748 2.256 0.534 124 HB3 LEU 19 HB1 LEU 19 0.624 3.434 1.184 125 HD11 LEU 19 HD11 LEU 19 0.086 0.125 -0.468 126 HD12 LEU 19 HD12 LEU 19 -0.348 -0.683 1.038 127 HD13 LEU 19 HD13 LEU 19 1.304 -0.119 0.785 128 HD21 LEU 19 HD21 LEU 19 -0.188 2.369 3.135 129 HD22 LEU 19 HD22 LEU 19 1.133 1.221 2.941 130 HD23 LEU 19 HD23 LEU 19 -0.514 0.637 3.153 131 H GLN 20 HN GLN 20 -0.388 5.320 -0.424 132 HA GLN 20 HA GLN 20 -3.086 5.098 0.250 133 HB2 GLN 20 HB2 GLN 20 -1.718 7.116 0.649 134 HB3 GLN 20 HB1 GLN 20 -1.681 7.423 -1.082 135 HG2 GLN 20 HG2 GLN 20 -3.309 8.860 -0.123 136 HG3 GLN 20 HG1 GLN 20 -4.155 7.619 -1.044 137 HE21 GLN 20 HE21 GLN 20 -3.509 8.932 2.075 138 HE22 GLN 20 HE22 GLN 20 -4.668 7.986 2.949 139 H ILE 21 HN ILE 21 -1.528 5.531 -2.878 140 HA ILE 21 HA ILE 21 -3.956 5.773 -4.352 141 HB ILE 21 HB ILE 21 -1.175 5.034 -5.284 142 HG12 ILE 21 HG12 ILE 21 -2.686 7.651 -5.294 143 HG13 ILE 21 HG11 ILE 21 -1.314 7.252 -4.268 144 HG21 ILE 21 HG21 ILE 21 -2.853 4.259 -6.868 145 HG22 ILE 21 HG22 ILE 21 -1.969 5.633 -7.527 146 HG23 ILE 21 HG23 ILE 21 -3.595 5.858 -6.885 147 HD11 ILE 21 HD11 ILE 21 0.127 7.103 -6.221 148 HD12 ILE 21 HD12 ILE 21 -0.659 8.679 -6.133 149 HD13 ILE 21 HD13 ILE 21 -1.245 7.465 -7.271 150 H HIS 22 HN HIS 22 -1.664 3.121 -3.797 151 HA HIS 22 HA HIS 22 -2.969 1.184 -5.340 152 HD1 HIS 22 HD1 HIS 22 -1.126 -1.241 -6.023 153 HD2 HIS 22 HD2 HIS 22 -2.316 -1.576 -2.049 154 HE1 HIS 22 HE1 HIS 22 -1.570 -3.701 -5.613 155 HB2 HIS 22 HB2 HIS 22 -0.682 0.883 -4.536 156 HB3 HIS 22 HB1 HIS 22 -1.250 0.825 -2.872 157 H VAL 23 HN VAL 23 -3.262 1.946 -1.883 158 HA VAL 23 HA VAL 23 -5.535 0.114 -1.697 159 HB VAL 23 HB VAL 23 -4.212 1.600 0.582 160 HG11 VAL 23 HG11 VAL 23 -5.939 -0.876 0.536 161 HG12 VAL 23 HG12 VAL 23 -6.442 0.729 1.069 162 HG13 VAL 23 HG13 VAL 23 -5.210 -0.151 1.970 163 HG21 VAL 23 HG21 VAL 23 -2.494 0.269 -0.438 164 HG22 VAL 23 HG22 VAL 23 -3.566 -1.127 -0.537 165 HG23 VAL 23 HG23 VAL 23 -3.018 -0.548 1.037 166 H MET 24 HN MET 24 -5.640 2.757 -3.106 167 HA MET 24 HA MET 24 -7.551 4.280 -1.640 168 HB2 MET 24 HB2 MET 24 -6.407 5.059 -3.762 169 HB3 MET 24 HB1 MET 24 -7.448 3.954 -4.651 170 HG2 MET 24 HG2 MET 24 -9.414 5.152 -3.800 171 HG3 MET 24 HG1 MET 24 -8.356 6.280 -2.958 172 HE1 MET 24 HE1 MET 24 -8.092 4.661 -6.578 173 HE2 MET 24 HE2 MET 24 -8.840 5.946 -7.530 174 HE3 MET 24 HE3 MET 24 -9.792 5.062 -6.338 175 H GLU 25 HN GLU 25 -7.601 1.394 -3.553 176 HA GLU 25 HA GLU 25 -10.433 0.930 -3.210 177 HB2 GLU 25 HB2 GLU 25 -8.139 -0.655 -4.323 178 HB3 GLU 25 HB1 GLU 25 -9.655 -1.454 -3.928 179 HG2 GLU 25 HG2 GLU 25 -9.523 -0.856 -6.288 180 HG3 GLU 25 HG1 GLU 25 -10.847 -0.025 -5.475 181 H PHE 26 HN PHE 26 -11.315 -0.609 -1.835 182 HA PHE 26 HA PHE 26 -11.632 -1.690 0.123 183 HD1 PHE 26 HD2 PHE 26 -11.587 -3.235 -1.657 184 HD2 PHE 26 HD1 PHE 26 -7.412 -3.619 -0.938 185 HE1 PHE 26 HE2 PHE 26 -11.351 -4.529 -3.733 186 HE2 PHE 26 HE1 PHE 26 -7.173 -4.920 -3.003 187 HZ PHE 26 HZ PHE 26 -9.090 -5.279 -4.464 188 HB2 PHE 26 HB2 PHE 26 -8.691 -2.223 0.421 189 HB3 PHE 26 HB1 PHE 26 -10.053 -3.239 0.878 190 H ILE 27 HN ILE 27 -12.012 0.638 0.742 191 HA ILE 27 HA ILE 27 -10.158 2.081 2.293 192 HB ILE 27 HB ILE 27 -13.172 2.080 2.552 193 HG12 ILE 27 HG12 ILE 27 -12.447 2.590 0.253 194 HG13 ILE 27 HG11 ILE 27 -13.131 4.011 1.036 195 HG21 ILE 27 HG21 ILE 27 -11.143 4.150 3.390 196 HG22 ILE 27 HG22 ILE 27 -12.063 3.099 4.468 197 HG23 ILE 27 HG23 ILE 27 -12.897 4.316 3.501 198 HD11 ILE 27 HD11 ILE 27 -10.203 3.432 0.665 199 HD12 ILE 27 HD12 ILE 27 -10.880 4.854 1.458 200 HD13 ILE 27 HD13 ILE 27 -11.167 4.582 -0.260 201 H GLU 28 HN GLU 28 -13.011 0.344 3.492 202 HA GLU 28 HA GLU 28 -11.754 -1.497 5.104 203 HB2 GLU 28 HB2 GLU 28 -11.082 0.748 6.280 204 HB3 GLU 28 HB1 GLU 28 -12.731 0.713 6.890 205 HG2 GLU 28 HG2 GLU 28 -11.067 -0.254 8.442 206 HG3 GLU 28 HG1 GLU 28 -12.350 -1.376 7.989 Start of MODEL 7 1 HA SER 1 HA SER 1 13.298 -0.377 5.369 2 HG SER 1 HG SER 1 16.060 1.853 5.507 3 H1 SER 1 HT1 SER 1 12.673 0.475 3.239 4 H2 SER 1 HT2 SER 1 14.322 0.769 3.520 5 H3 SER 1 HT3 SER 1 13.206 2.031 3.658 6 HB2 SER 1 HB2 SER 1 14.105 2.476 5.975 7 HB3 SER 1 HB1 SER 1 14.124 1.132 7.117 8 H SER 2 HN SER 2 11.833 2.799 4.711 9 HA SER 2 HA SER 2 9.579 2.172 6.446 10 HG SER 2 HG SER 2 10.647 5.623 6.458 11 HB2 SER 2 HB2 SER 2 10.022 4.532 4.598 12 HB3 SER 2 HB1 SER 2 8.750 4.387 5.810 13 H ASP 3 HN ASP 3 9.721 0.210 4.701 14 HA ASP 3 HA ASP 3 8.253 0.810 2.268 15 HB2 ASP 3 HB2 ASP 3 9.369 -1.811 3.296 16 HB3 ASP 3 HB1 ASP 3 8.664 -1.558 1.704 17 H PHE 4 HN PHE 4 6.129 0.938 2.372 18 HA PHE 4 HA PHE 4 4.683 -0.611 4.393 19 HD1 PHE 4 HD2 PHE 4 4.110 1.155 6.236 20 HD2 PHE 4 HD1 PHE 4 4.711 3.528 2.755 21 HE1 PHE 4 HE2 PHE 4 5.053 2.955 7.628 22 HE2 PHE 4 HE1 PHE 4 5.644 5.330 4.137 23 HZ PHE 4 HZ PHE 4 5.821 5.047 6.579 24 HB2 PHE 4 HB2 PHE 4 3.605 1.542 2.560 25 HB3 PHE 4 HB1 PHE 4 2.809 0.857 3.970 26 H CYS 5 HN CYS 5 3.923 -2.538 3.758 27 HA CYS 5 HA CYS 5 3.472 -3.018 0.910 28 HG CYS 5 HG CYS 5 6.004 -3.576 2.704 29 HB2 CYS 5 HB2 CYS 5 3.385 -4.964 3.222 30 HB3 CYS 5 HB1 CYS 5 3.390 -5.373 1.509 31 H CYS 6 HN CYS 6 1.487 -3.674 0.075 32 HA CYS 6 HA CYS 6 -0.838 -2.898 1.595 33 HB2 CYS 6 HB2 CYS 6 -0.738 -2.525 -0.854 34 HB3 CYS 6 HB1 CYS 6 -0.662 -4.262 -1.109 35 HA PRO 7 HA PRO 7 -0.770 -6.896 3.519 36 HB2 PRO 7 HB2 PRO 7 -2.933 -6.574 5.130 37 HB3 PRO 7 HB1 PRO 7 -1.361 -5.837 5.461 38 HG2 PRO 7 HG2 PRO 7 -3.816 -4.619 4.271 39 HG3 PRO 7 HG1 PRO 7 -2.667 -3.924 5.429 40 HD2 PRO 7 HD2 PRO 7 -2.664 -3.346 2.759 41 HD3 PRO 7 HD1 PRO 7 -1.209 -3.279 3.778 42 H LYS 8 HN LYS 8 -3.248 -5.695 1.535 43 HA LYS 8 HA LYS 8 -4.659 -8.268 1.525 44 HB2 LYS 8 HB2 LYS 8 -5.499 -5.646 0.275 45 HB3 LYS 8 HB1 LYS 8 -6.476 -7.103 0.399 46 HG2 LYS 8 HG2 LYS 8 -5.536 -5.357 2.670 47 HG3 LYS 8 HG1 LYS 8 -7.187 -5.515 2.063 48 HD2 LYS 8 HD2 LYS 8 -7.131 -7.916 2.704 49 HD3 LYS 8 HD1 LYS 8 -5.542 -7.650 3.422 50 HE2 LYS 8 HE2 LYS 8 -7.144 -7.548 5.181 51 HE3 LYS 8 HE1 LYS 8 -6.587 -5.903 4.878 52 HZ1 LYS 8 HZ1 LYS 8 -9.014 -6.076 5.165 53 HZ2 LYS 8 HZ2 LYS 8 -9.096 -7.052 3.780 54 HZ3 LYS 8 HZ3 LYS 8 -8.581 -5.445 3.651 55 H CYS 9 HN CYS 9 -2.084 -7.100 0.119 56 HA CYS 9 HA CYS 9 -2.569 -8.479 -2.410 57 HB2 CYS 9 HB2 CYS 9 -1.479 -5.660 -2.209 58 HB3 CYS 9 HB1 CYS 9 -1.434 -6.641 -3.668 59 H GLN 10 HN GLN 10 -0.173 -8.049 -3.649 60 HA GLN 10 HA GLN 10 1.776 -9.053 -1.674 61 HB2 GLN 10 HB2 GLN 10 2.940 -10.095 -3.600 62 HB3 GLN 10 HB1 GLN 10 1.302 -10.698 -3.396 63 HG2 GLN 10 HG2 GLN 10 1.569 -8.415 -5.227 64 HG3 GLN 10 HG1 GLN 10 2.369 -9.894 -5.748 65 HE21 GLN 10 HE21 GLN 10 -0.465 -10.065 -3.751 66 HE22 GLN 10 HE22 GLN 10 -1.544 -10.620 -4.983 67 H TYR 11 HN TYR 11 0.910 -6.339 -3.108 68 HA TYR 11 HA TYR 11 3.380 -5.422 -4.241 69 HD1 TYR 11 HD1 TYR 11 3.241 -3.792 -6.405 70 HD2 TYR 11 HD2 TYR 11 1.459 -1.722 -3.144 71 HE1 TYR 11 HE1 TYR 11 4.297 -1.711 -7.159 72 HE2 TYR 11 HE2 TYR 11 2.510 0.370 -3.891 73 HH TYR 11 HH TYR 11 4.521 1.033 -5.228 74 HB2 TYR 11 HB2 TYR 11 1.217 -4.682 -5.137 75 HB3 TYR 11 HB1 TYR 11 0.825 -3.937 -3.588 76 H GLN 12 HN GLN 12 4.978 -4.404 -3.252 77 HA GLN 12 HA GLN 12 4.544 -3.306 -0.566 78 HB2 GLN 12 HB2 GLN 12 6.303 -4.905 -0.541 79 HB3 GLN 12 HB1 GLN 12 6.994 -4.279 -2.033 80 HG2 GLN 12 HG2 GLN 12 7.528 -2.189 -0.839 81 HG3 GLN 12 HG1 GLN 12 6.973 -2.938 0.657 82 HE21 GLN 12 HE21 GLN 12 9.440 -2.877 -1.784 83 HE22 GLN 12 HE22 GLN 12 10.608 -3.815 -0.910 84 H ALA 13 HN ALA 13 4.427 -1.155 -0.394 85 HA ALA 13 HA ALA 13 5.440 0.481 -2.619 86 HB1 ALA 13 HB1 ALA 13 3.046 0.710 -2.170 87 HB2 ALA 13 HB2 ALA 13 3.905 2.216 -1.843 88 HB3 ALA 13 HB3 ALA 13 3.400 1.180 -0.507 89 HA PRO 14 HA PRO 14 8.618 1.588 0.302 90 HB2 PRO 14 HB2 PRO 14 10.068 3.130 -1.373 91 HB3 PRO 14 HB1 PRO 14 10.064 1.365 -1.475 92 HG2 PRO 14 HG2 PRO 14 8.564 3.364 -3.118 93 HG3 PRO 14 HG1 PRO 14 9.403 1.891 -3.638 94 HD2 PRO 14 HD2 PRO 14 6.706 2.034 -3.285 95 HD3 PRO 14 HD1 PRO 14 7.638 0.539 -3.077 96 H ASP 15 HN ASP 15 6.088 3.394 -0.617 97 HA ASP 15 HA ASP 15 6.801 5.524 1.204 98 HB2 ASP 15 HB2 ASP 15 7.496 6.367 -1.052 99 HB3 ASP 15 HB1 ASP 15 5.820 6.216 -1.576 100 H MET 16 HN MET 16 4.935 6.727 1.915 101 HA MET 16 HA MET 16 2.734 4.995 2.355 102 HB2 MET 16 HB2 MET 16 3.603 6.698 3.974 103 HB3 MET 16 HB1 MET 16 2.907 7.948 2.950 104 HG2 MET 16 HG2 MET 16 0.688 6.936 3.281 105 HG3 MET 16 HG1 MET 16 1.419 5.770 4.384 106 HE1 MET 16 HE1 MET 16 -0.347 6.466 6.235 107 HE2 MET 16 HE2 MET 16 -1.058 7.660 5.151 108 HE3 MET 16 HE3 MET 16 -0.593 8.123 6.789 109 H ASP 17 HN ASP 17 3.258 7.780 0.253 110 HA ASP 17 HA ASP 17 0.562 8.297 -0.392 111 HB2 ASP 17 HB2 ASP 17 3.153 8.899 -1.784 112 HB3 ASP 17 HB1 ASP 17 1.613 9.277 -2.551 113 H THR 18 HN THR 18 3.021 6.400 -2.083 114 HA THR 18 HA THR 18 1.443 5.605 -4.240 115 HB THR 18 HB THR 18 3.666 3.954 -3.025 116 HG1 THR 18 HG1 THR 18 5.102 5.309 -4.050 117 HG21 THR 18 HG21 THR 18 4.074 3.307 -5.353 118 HG22 THR 18 HG22 THR 18 2.733 4.326 -5.876 119 HG23 THR 18 HG23 THR 18 2.425 2.910 -4.871 120 H LEU 19 HN LEU 19 1.881 4.158 -1.045 121 HA LEU 19 HA LEU 19 0.450 1.777 -1.555 122 HG LEU 19 HG LEU 19 -0.965 1.493 1.122 123 HB2 LEU 19 HB2 LEU 19 1.913 2.040 0.397 124 HB3 LEU 19 HB1 LEU 19 0.827 3.252 1.055 125 HD11 LEU 19 HD11 LEU 19 -0.269 -0.842 1.006 126 HD12 LEU 19 HD12 LEU 19 1.353 -0.339 0.530 127 HD13 LEU 19 HD13 LEU 19 -0.017 -0.019 -0.535 128 HD21 LEU 19 HD21 LEU 19 -0.090 0.395 3.124 129 HD22 LEU 19 HD22 LEU 19 0.264 2.124 3.122 130 HD23 LEU 19 HD23 LEU 19 1.529 0.964 2.722 131 H GLN 20 HN GLN 20 -0.529 4.917 -0.243 132 HA GLN 20 HA GLN 20 -3.165 4.227 0.421 133 HB2 GLN 20 HB2 GLN 20 -1.898 6.265 1.169 134 HB3 GLN 20 HB1 GLN 20 -2.184 6.956 -0.423 135 HG2 GLN 20 HG2 GLN 20 -3.766 7.808 1.201 136 HG3 GLN 20 HG1 GLN 20 -4.586 6.863 -0.041 137 HE21 GLN 20 HE21 GLN 20 -6.356 6.514 1.310 138 HE22 GLN 20 HE22 GLN 20 -6.290 5.407 2.638 139 H ILE 21 HN ILE 21 -1.764 5.460 -2.572 140 HA ILE 21 HA ILE 21 -4.282 5.714 -3.910 141 HB ILE 21 HB ILE 21 -1.515 5.536 -5.119 142 HG12 ILE 21 HG12 ILE 21 -3.165 7.907 -4.228 143 HG13 ILE 21 HG11 ILE 21 -1.644 7.369 -3.526 144 HG21 ILE 21 HG21 ILE 21 -3.265 5.119 -6.755 145 HG22 ILE 21 HG22 ILE 21 -2.547 6.707 -7.027 146 HG23 ILE 21 HG23 ILE 21 -4.119 6.576 -6.240 147 HD11 ILE 21 HD11 ILE 21 -0.493 7.914 -5.616 148 HD12 ILE 21 HD12 ILE 21 -1.304 9.317 -4.918 149 HD13 ILE 21 HD13 ILE 21 -2.018 8.481 -6.297 150 H HIS 22 HN HIS 22 -1.825 3.237 -3.626 151 HA HIS 22 HA HIS 22 -2.836 1.505 -5.617 152 HD1 HIS 22 HD1 HIS 22 -1.231 -1.121 -6.290 153 HD2 HIS 22 HD2 HIS 22 -1.840 -1.269 -2.177 154 HE1 HIS 22 HE1 HIS 22 -1.548 -3.567 -5.705 155 HB2 HIS 22 HB2 HIS 22 -0.617 1.096 -4.950 156 HB3 HIS 22 HB1 HIS 22 -1.031 1.113 -3.240 157 H VAL 23 HN VAL 23 -3.267 1.550 -2.081 158 HA VAL 23 HA VAL 23 -4.891 -0.771 -2.079 159 HB VAL 23 HB VAL 23 -3.511 -0.046 -0.155 160 HG11 VAL 23 HG11 VAL 23 -4.410 1.654 1.381 161 HG12 VAL 23 HG12 VAL 23 -5.616 2.080 0.167 162 HG13 VAL 23 HG13 VAL 23 -3.902 2.319 -0.170 163 HG21 VAL 23 HG21 VAL 23 -5.270 -1.681 0.137 164 HG22 VAL 23 HG22 VAL 23 -6.442 -0.396 0.428 165 HG23 VAL 23 HG23 VAL 23 -5.123 -0.665 1.569 166 H MET 24 HN MET 24 -5.566 2.682 -2.219 167 HA MET 24 HA MET 24 -7.441 3.833 -2.789 168 HB2 MET 24 HB2 MET 24 -8.557 1.119 -3.519 169 HB3 MET 24 HB1 MET 24 -9.265 2.665 -3.961 170 HG2 MET 24 HG2 MET 24 -7.501 3.171 -5.429 171 HG3 MET 24 HG1 MET 24 -6.487 1.885 -4.776 172 HE1 MET 24 HE1 MET 24 -8.497 -0.540 -4.541 173 HE2 MET 24 HE2 MET 24 -6.876 -0.691 -5.220 174 HE3 MET 24 HE3 MET 24 -8.265 -1.332 -6.099 175 H GLU 25 HN GLU 25 -9.053 0.873 -1.728 176 HA GLU 25 HA GLU 25 -9.958 2.222 0.708 177 HB2 GLU 25 HB2 GLU 25 -12.239 1.387 0.363 178 HB3 GLU 25 HB1 GLU 25 -11.759 2.472 -0.932 179 HG2 GLU 25 HG2 GLU 25 -11.205 0.455 -2.303 180 HG3 GLU 25 HG1 GLU 25 -11.932 -0.528 -1.032 181 H PHE 26 HN PHE 26 -10.356 0.788 2.437 182 HA PHE 26 HA PHE 26 -9.656 -2.003 2.035 183 HD1 PHE 26 HD2 PHE 26 -7.341 1.166 1.663 184 HD2 PHE 26 HD1 PHE 26 -7.908 -0.225 5.644 185 HE1 PHE 26 HE2 PHE 26 -6.738 3.389 2.517 186 HE2 PHE 26 HE1 PHE 26 -7.298 1.994 6.512 187 HZ PHE 26 HZ PHE 26 -6.712 3.809 4.946 188 HB2 PHE 26 HB2 PHE 26 -7.820 -1.763 3.820 189 HB3 PHE 26 HB1 PHE 26 -7.449 -1.224 2.185 190 H ILE 27 HN ILE 27 -10.441 -3.325 3.542 191 HA ILE 27 HA ILE 27 -11.720 -2.107 5.898 192 HB ILE 27 HB ILE 27 -12.294 -4.776 4.577 193 HG12 ILE 27 HG12 ILE 27 -14.635 -3.695 4.420 194 HG13 ILE 27 HG11 ILE 27 -13.809 -2.173 4.726 195 HG21 ILE 27 HG21 ILE 27 -12.479 -4.980 6.984 196 HG22 ILE 27 HG22 ILE 27 -14.081 -5.018 6.245 197 HG23 ILE 27 HG23 ILE 27 -13.513 -3.553 7.045 198 HD11 ILE 27 HD11 ILE 27 -14.202 -2.540 2.351 199 HD12 ILE 27 HD12 ILE 27 -13.257 -4.028 2.422 200 HD13 ILE 27 HD13 ILE 27 -12.479 -2.473 2.718 201 H GLU 28 HN GLU 28 -10.218 -2.113 7.445 202 HA GLU 28 HA GLU 28 -9.212 -4.624 8.430 203 HB2 GLU 28 HB2 GLU 28 -7.553 -4.121 6.690 204 HB3 GLU 28 HB1 GLU 28 -7.299 -2.525 7.380 205 HG2 GLU 28 HG2 GLU 28 -6.444 -3.581 9.436 206 HG3 GLU 28 HG1 GLU 28 -6.630 -5.162 8.672 Start of MODEL 8 1 HA SER 1 HA SER 1 14.508 -2.645 5.576 2 HG SER 1 HG SER 1 12.733 -6.086 6.270 3 H1 SER 1 HT1 SER 1 12.733 -1.846 7.031 4 H2 SER 1 HT2 SER 1 13.874 -2.810 7.833 5 H3 SER 1 HT3 SER 1 12.357 -3.451 7.432 6 HB2 SER 1 HB2 SER 1 14.118 -5.180 4.963 7 HB3 SER 1 HB1 SER 1 15.115 -4.745 6.351 8 H SER 2 HN SER 2 11.203 -3.937 5.855 9 HA SER 2 HA SER 2 10.727 -3.268 3.049 10 HG SER 2 HG SER 2 10.483 -6.065 4.609 11 HB2 SER 2 HB2 SER 2 8.936 -4.605 5.093 12 HB3 SER 2 HB1 SER 2 8.561 -4.400 3.381 13 H ASP 3 HN ASP 3 9.334 -1.642 2.410 14 HA ASP 3 HA ASP 3 9.143 0.487 4.344 15 HB2 ASP 3 HB2 ASP 3 8.322 0.421 1.434 16 HB3 ASP 3 HB1 ASP 3 8.368 1.861 2.445 17 H PHE 4 HN PHE 4 6.617 0.109 1.952 18 HA PHE 4 HA PHE 4 4.680 -0.284 4.133 19 HD1 PHE 4 HD2 PHE 4 3.272 2.025 5.296 20 HD2 PHE 4 HD1 PHE 4 6.298 3.078 2.494 21 HE1 PHE 4 HE2 PHE 4 4.086 3.766 6.834 22 HE2 PHE 4 HE1 PHE 4 7.118 4.818 4.025 23 HZ PHE 4 HZ PHE 4 6.009 5.168 6.198 24 HB2 PHE 4 HB2 PHE 4 4.460 1.683 1.842 25 HB3 PHE 4 HB1 PHE 4 3.156 1.305 2.963 26 H CYS 5 HN CYS 5 4.033 -2.310 3.749 27 HA CYS 5 HA CYS 5 3.612 -3.240 1.029 28 HG CYS 5 HG CYS 5 4.328 -3.902 5.023 29 HB2 CYS 5 HB2 CYS 5 3.054 -5.404 2.227 30 HB3 CYS 5 HB1 CYS 5 4.695 -4.808 2.456 31 H CYS 6 HN CYS 6 1.620 -3.928 0.200 32 HA CYS 6 HA CYS 6 -0.744 -2.816 1.476 33 HB2 CYS 6 HB2 CYS 6 -0.493 -2.677 -1.000 34 HB3 CYS 6 HB1 CYS 6 -0.505 -4.435 -1.082 35 HA PRO 7 HA PRO 7 -1.121 -6.649 3.831 36 HB2 PRO 7 HB2 PRO 7 -3.750 -5.387 4.430 37 HB3 PRO 7 HB1 PRO 7 -2.546 -6.059 5.535 38 HG2 PRO 7 HG2 PRO 7 -2.828 -3.426 5.292 39 HG3 PRO 7 HG1 PRO 7 -1.219 -4.154 5.458 40 HD2 PRO 7 HD2 PRO 7 -2.570 -3.081 3.018 41 HD3 PRO 7 HD1 PRO 7 -0.863 -2.986 3.500 42 H LYS 8 HN LYS 8 -3.569 -5.289 1.720 43 HA LYS 8 HA LYS 8 -5.123 -7.686 1.532 44 HB2 LYS 8 HB2 LYS 8 -5.142 -5.292 -0.314 45 HB3 LYS 8 HB1 LYS 8 -6.410 -6.495 -0.135 46 HG2 LYS 8 HG2 LYS 8 -5.536 -4.543 1.986 47 HG3 LYS 8 HG1 LYS 8 -6.973 -4.395 0.972 48 HD2 LYS 8 HD2 LYS 8 -7.809 -6.521 1.918 49 HD3 LYS 8 HD1 LYS 8 -6.402 -6.570 2.982 50 HE2 LYS 8 HE2 LYS 8 -7.087 -4.465 4.003 51 HE3 LYS 8 HE1 LYS 8 -8.477 -4.383 2.919 52 HZ1 LYS 8 HZ1 LYS 8 -9.212 -5.235 5.000 53 HZ2 LYS 8 HZ2 LYS 8 -7.979 -6.395 5.045 54 HZ3 LYS 8 HZ3 LYS 8 -9.226 -6.523 3.898 55 H CYS 9 HN CYS 9 -2.161 -6.809 0.198 56 HA CYS 9 HA CYS 9 -2.490 -8.685 -2.039 57 HB2 CYS 9 HB2 CYS 9 -1.207 -5.954 -2.281 58 HB3 CYS 9 HB1 CYS 9 -1.323 -7.158 -3.558 59 H GLN 10 HN GLN 10 -0.042 -8.551 -3.168 60 HA GLN 10 HA GLN 10 1.819 -9.205 -0.983 61 HB2 GLN 10 HB2 GLN 10 2.042 -9.788 -3.948 62 HB3 GLN 10 HB1 GLN 10 3.132 -10.359 -2.695 63 HG2 GLN 10 HG2 GLN 10 0.219 -11.083 -2.907 64 HG3 GLN 10 HG1 GLN 10 1.560 -12.082 -3.464 65 HE21 GLN 10 HE21 GLN 10 2.910 -13.052 -1.948 66 HE22 GLN 10 HE22 GLN 10 2.427 -13.261 -0.302 67 H TYR 11 HN TYR 11 1.086 -7.017 -3.470 68 HA TYR 11 HA TYR 11 3.446 -5.811 -4.186 69 HD1 TYR 11 HD2 TYR 11 1.791 -2.256 -3.288 70 HD2 TYR 11 HD1 TYR 11 2.630 -4.462 -6.829 71 HE1 TYR 11 HE2 TYR 11 2.721 -0.232 -4.323 72 HE2 TYR 11 HE1 TYR 11 3.576 -2.446 -7.868 73 HH TYR 11 HH TYR 11 3.335 0.083 -7.587 74 HB2 TYR 11 HB2 TYR 11 1.174 -5.367 -5.109 75 HB3 TYR 11 HB1 TYR 11 0.801 -4.445 -3.658 76 H GLN 12 HN GLN 12 4.895 -4.523 -3.241 77 HA GLN 12 HA GLN 12 4.168 -3.191 -0.712 78 HB2 GLN 12 HB2 GLN 12 6.886 -4.230 -1.541 79 HB3 GLN 12 HB1 GLN 12 6.537 -3.353 -0.057 80 HG2 GLN 12 HG2 GLN 12 5.021 -5.177 0.621 81 HG3 GLN 12 HG1 GLN 12 5.488 -6.064 -0.831 82 HE21 GLN 12 HE21 GLN 12 7.532 -6.964 -0.959 83 HE22 GLN 12 HE22 GLN 12 8.558 -7.133 0.424 84 H ALA 13 HN ALA 13 4.559 -1.039 -0.577 85 HA ALA 13 HA ALA 13 5.737 0.246 -2.953 86 HB1 ALA 13 HB1 ALA 13 4.302 2.156 -2.500 87 HB2 ALA 13 HB2 ALA 13 3.669 1.362 -1.059 88 HB3 ALA 13 HB3 ALA 13 3.335 0.690 -2.655 89 HA PRO 14 HA PRO 14 8.811 1.944 -0.271 90 HB2 PRO 14 HB2 PRO 14 9.647 4.043 -1.721 91 HB3 PRO 14 HB1 PRO 14 9.947 2.376 -2.229 92 HG2 PRO 14 HG2 PRO 14 7.841 4.289 -3.163 93 HG3 PRO 14 HG1 PRO 14 8.854 3.188 -4.116 94 HD2 PRO 14 HD2 PRO 14 6.274 2.631 -3.414 95 HD3 PRO 14 HD1 PRO 14 7.504 1.382 -3.692 96 H ASP 15 HN ASP 15 5.938 3.614 -0.960 97 HA ASP 15 HA ASP 15 6.464 5.541 1.177 98 HB2 ASP 15 HB2 ASP 15 6.969 6.860 -0.725 99 HB3 ASP 15 HB1 ASP 15 5.616 6.206 -1.637 100 H MET 16 HN MET 16 4.585 6.353 2.192 101 HA MET 16 HA MET 16 2.539 4.387 2.425 102 HB2 MET 16 HB2 MET 16 3.279 5.701 4.354 103 HB3 MET 16 HB1 MET 16 2.682 7.171 3.594 104 HG2 MET 16 HG2 MET 16 0.399 6.114 3.604 105 HG3 MET 16 HG1 MET 16 1.083 4.840 4.610 106 HE1 MET 16 HE1 MET 16 1.886 8.702 4.606 107 HE2 MET 16 HE2 MET 16 0.789 9.273 5.863 108 HE3 MET 16 HE3 MET 16 0.142 8.633 4.353 109 H ASP 17 HN ASP 17 2.690 7.604 0.947 110 HA ASP 17 HA ASP 17 -0.121 7.702 0.405 111 HB2 ASP 17 HB2 ASP 17 2.199 9.305 -0.671 112 HB3 ASP 17 HB1 ASP 17 0.533 9.578 -1.171 113 H THR 18 HN THR 18 2.758 6.808 -1.392 114 HA THR 18 HA THR 18 1.574 6.198 -3.850 115 HB THR 18 HB THR 18 3.860 4.725 -2.524 116 HG1 THR 18 HG1 THR 18 4.013 7.124 -2.751 117 HG21 THR 18 HG21 THR 18 3.136 5.078 -5.437 118 HG22 THR 18 HG22 THR 18 3.002 3.585 -4.508 119 HG23 THR 18 HG23 THR 18 4.590 4.282 -4.830 120 H LEU 19 HN LEU 19 2.010 4.229 -0.932 121 HA LEU 19 HA LEU 19 0.738 1.903 -1.896 122 HG LEU 19 HG LEU 19 -0.666 1.035 0.679 123 HB2 LEU 19 HB2 LEU 19 2.153 1.957 0.122 124 HB3 LEU 19 HB1 LEU 19 0.943 2.928 0.938 125 HD11 LEU 19 HD11 LEU 19 0.381 -0.060 -1.224 126 HD12 LEU 19 HD12 LEU 19 0.216 -1.173 0.134 127 HD13 LEU 19 HD13 LEU 19 1.786 -0.459 -0.235 128 HD21 LEU 19 HD21 LEU 19 1.882 0.424 2.172 129 HD22 LEU 19 HD22 LEU 19 0.308 -0.316 2.465 130 HD23 LEU 19 HD23 LEU 19 0.542 1.407 2.764 131 H GLN 20 HN GLN 20 -0.450 4.745 -0.176 132 HA GLN 20 HA GLN 20 -3.087 3.988 0.252 133 HB2 GLN 20 HB2 GLN 20 -2.064 5.988 1.215 134 HB3 GLN 20 HB1 GLN 20 -1.970 6.727 -0.378 135 HG2 GLN 20 HG2 GLN 20 -4.416 6.733 -0.503 136 HG3 GLN 20 HG1 GLN 20 -4.493 6.015 1.105 137 HE21 GLN 20 HE21 GLN 20 -2.100 8.383 0.227 138 HE22 GLN 20 HE22 GLN 20 -2.720 9.665 1.204 139 H ILE 21 HN ILE 21 -1.615 5.523 -2.590 140 HA ILE 21 HA ILE 21 -3.988 5.713 -4.119 141 HB ILE 21 HB ILE 21 -1.136 5.448 -5.098 142 HG12 ILE 21 HG12 ILE 21 -2.813 7.927 -4.637 143 HG13 ILE 21 HG11 ILE 21 -1.531 7.371 -3.568 144 HG21 ILE 21 HG21 ILE 21 -2.769 4.946 -6.842 145 HG22 ILE 21 HG22 ILE 21 -1.958 6.479 -7.159 146 HG23 ILE 21 HG23 ILE 21 -3.600 6.466 -6.514 147 HD11 ILE 21 HD11 ILE 21 0.095 7.676 -5.360 148 HD12 ILE 21 HD12 ILE 21 -0.763 9.174 -4.994 149 HD13 ILE 21 HD13 ILE 21 -1.189 8.239 -6.429 150 H HIS 22 HN HIS 22 -1.542 3.191 -3.781 151 HA HIS 22 HA HIS 22 -2.580 1.428 -5.716 152 HD1 HIS 22 HD1 HIS 22 -0.917 -1.116 -6.404 153 HD2 HIS 22 HD2 HIS 22 -1.802 -1.476 -2.358 154 HE1 HIS 22 HE1 HIS 22 -1.259 -3.581 -5.974 155 HB2 HIS 22 HB2 HIS 22 -0.372 1.029 -4.903 156 HB3 HIS 22 HB1 HIS 22 -0.924 0.963 -3.234 157 H VAL 23 HN VAL 23 -3.149 1.627 -2.199 158 HA VAL 23 HA VAL 23 -4.999 -0.554 -2.234 159 HB VAL 23 HB VAL 23 -4.749 1.528 -0.054 160 HG11 VAL 23 HG11 VAL 23 -6.688 0.064 0.150 161 HG12 VAL 23 HG12 VAL 23 -5.496 -0.312 1.394 162 HG13 VAL 23 HG13 VAL 23 -5.650 -1.352 -0.023 163 HG21 VAL 23 HG21 VAL 23 -3.162 -1.010 -0.437 164 HG22 VAL 23 HG22 VAL 23 -3.125 0.013 1.000 165 HG23 VAL 23 HG23 VAL 23 -2.538 0.636 -0.543 166 H MET 24 HN MET 24 -5.250 2.604 -3.285 167 HA MET 24 HA MET 24 -7.968 3.137 -2.632 168 HB2 MET 24 HB2 MET 24 -6.331 4.883 -3.308 169 HB3 MET 24 HB1 MET 24 -6.334 4.221 -4.936 170 HG2 MET 24 HG2 MET 24 -8.656 4.796 -5.212 171 HG3 MET 24 HG1 MET 24 -8.753 5.340 -3.539 172 HE1 MET 24 HE1 MET 24 -6.139 7.463 -6.703 173 HE2 MET 24 HE2 MET 24 -7.130 6.051 -7.079 174 HE3 MET 24 HE3 MET 24 -5.747 5.895 -5.996 175 H GLU 25 HN GLU 25 -6.500 0.959 -4.775 176 HA GLU 25 HA GLU 25 -8.462 0.669 -6.759 177 HB2 GLU 25 HB2 GLU 25 -6.734 -1.444 -5.468 178 HB3 GLU 25 HB1 GLU 25 -7.646 -1.657 -6.955 179 HG2 GLU 25 HG2 GLU 25 -6.289 -0.056 -8.097 180 HG3 GLU 25 HG1 GLU 25 -5.478 0.402 -6.599 181 H PHE 26 HN PHE 26 -8.387 -0.200 -3.420 182 HA PHE 26 HA PHE 26 -11.065 -1.390 -3.666 183 HD1 PHE 26 HD1 PHE 26 -7.236 -2.484 -3.516 184 HD2 PHE 26 HD2 PHE 26 -10.906 -4.626 -3.519 185 HE1 PHE 26 HE1 PHE 26 -6.299 -4.082 -5.135 186 HE2 PHE 26 HE2 PHE 26 -9.984 -6.230 -5.123 187 HZ PHE 26 HZ PHE 26 -7.647 -5.875 -6.010 188 HB2 PHE 26 HB2 PHE 26 -8.938 -2.257 -1.688 189 HB3 PHE 26 HB1 PHE 26 -10.531 -2.977 -1.907 190 H ILE 27 HN ILE 27 -11.908 -1.506 -1.167 191 HA ILE 27 HA ILE 27 -11.276 1.069 0.076 192 HB ILE 27 HB ILE 27 -13.636 1.445 0.644 193 HG12 ILE 27 HG12 ILE 27 -14.352 -0.970 0.395 194 HG13 ILE 27 HG11 ILE 27 -15.446 0.215 -0.301 195 HG21 ILE 27 HG21 ILE 27 -13.048 1.251 -2.298 196 HG22 ILE 27 HG22 ILE 27 -12.722 2.615 -1.230 197 HG23 ILE 27 HG23 ILE 27 -14.386 2.161 -1.596 198 HD11 ILE 27 HD11 ILE 27 -13.473 -1.481 -1.817 199 HD12 ILE 27 HD12 ILE 27 -14.549 -0.276 -2.527 200 HD13 ILE 27 HD13 ILE 27 -15.221 -1.709 -1.748 201 H GLU 28 HN GLU 28 -11.153 1.073 2.239 202 HA GLU 28 HA GLU 28 -12.365 -1.094 3.742 203 HB2 GLU 28 HB2 GLU 28 -10.287 -1.464 5.067 204 HB3 GLU 28 HB1 GLU 28 -10.163 -1.994 3.398 205 HG2 GLU 28 HG2 GLU 28 -8.899 0.013 2.848 206 HG3 GLU 28 HG1 GLU 28 -9.044 0.567 4.516 Start of MODEL 9 1 HA SER 1 HA SER 1 11.799 -5.640 5.809 2 HG SER 1 HG SER 1 12.926 -5.672 2.458 3 H1 SER 1 HT1 SER 1 10.108 -4.580 3.624 4 H2 SER 1 HT2 SER 1 9.530 -5.372 5.009 5 H3 SER 1 HT3 SER 1 10.508 -6.207 3.907 6 HB2 SER 1 HB2 SER 1 12.474 -3.871 3.446 7 HB3 SER 1 HB1 SER 1 13.597 -4.402 4.696 8 H SER 2 HN SER 2 10.994 -2.552 4.198 9 HA SER 2 HA SER 2 10.086 -1.483 6.757 10 HG SER 2 HG SER 2 12.366 -1.784 7.198 11 HB2 SER 2 HB2 SER 2 12.179 -0.086 5.058 12 HB3 SER 2 HB1 SER 2 11.433 0.562 6.518 13 H ASP 3 HN ASP 3 8.874 -2.367 4.325 14 HA ASP 3 HA ASP 3 8.326 0.013 2.728 15 HB2 ASP 3 HB2 ASP 3 7.315 -2.737 2.082 16 HB3 ASP 3 HB1 ASP 3 7.766 -1.436 0.986 17 H PHE 4 HN PHE 4 6.189 0.575 2.137 18 HA PHE 4 HA PHE 4 4.149 -0.156 4.084 19 HD1 PHE 4 HD2 PHE 4 3.111 2.298 5.326 20 HD2 PHE 4 HD1 PHE 4 6.057 3.092 2.359 21 HE1 PHE 4 HE2 PHE 4 4.167 3.943 6.822 22 HE2 PHE 4 HE1 PHE 4 7.118 4.738 3.850 23 HZ PHE 4 HZ PHE 4 6.133 5.196 6.080 24 HB2 PHE 4 HB2 PHE 4 4.097 1.852 1.815 25 HB3 PHE 4 HB1 PHE 4 2.805 1.611 2.986 26 H CYS 5 HN CYS 5 3.476 -2.180 3.565 27 HA CYS 5 HA CYS 5 2.964 -2.793 0.746 28 HG CYS 5 HG CYS 5 2.312 -4.366 4.372 29 HB2 CYS 5 HB2 CYS 5 2.933 -5.174 1.573 30 HB3 CYS 5 HB1 CYS 5 4.473 -4.340 1.758 31 H CYS 6 HN CYS 6 1.026 -3.619 0.028 32 HA CYS 6 HA CYS 6 -1.328 -3.004 1.566 33 HB2 CYS 6 HB2 CYS 6 -1.256 -2.755 -0.905 34 HB3 CYS 6 HB1 CYS 6 -1.052 -4.493 -1.062 35 HA PRO 7 HA PRO 7 -1.191 -6.792 3.837 36 HB2 PRO 7 HB2 PRO 7 -4.073 -6.373 4.337 37 HB3 PRO 7 HB1 PRO 7 -2.733 -6.458 5.485 38 HG2 PRO 7 HG2 PRO 7 -3.947 -4.137 4.937 39 HG3 PRO 7 HG1 PRO 7 -2.201 -4.225 5.234 40 HD2 PRO 7 HD2 PRO 7 -3.670 -4.001 2.630 41 HD3 PRO 7 HD1 PRO 7 -2.185 -3.178 3.162 42 H LYS 8 HN LYS 8 -3.902 -6.257 1.624 43 HA LYS 8 HA LYS 8 -4.537 -9.062 1.467 44 HB2 LYS 8 HB2 LYS 8 -5.491 -6.778 -0.267 45 HB3 LYS 8 HB1 LYS 8 -6.181 -8.394 -0.220 46 HG2 LYS 8 HG2 LYS 8 -6.751 -8.020 2.164 47 HG3 LYS 8 HG1 LYS 8 -6.190 -6.353 1.990 48 HD2 LYS 8 HD2 LYS 8 -7.852 -5.964 0.250 49 HD3 LYS 8 HD1 LYS 8 -8.396 -7.637 0.376 50 HE2 LYS 8 HE2 LYS 8 -9.007 -7.208 2.739 51 HE3 LYS 8 HE1 LYS 8 -8.564 -5.517 2.512 52 HZ1 LYS 8 HZ1 LYS 8 -10.277 -5.348 0.795 53 HZ2 LYS 8 HZ2 LYS 8 -10.944 -5.837 2.277 54 HZ3 LYS 8 HZ3 LYS 8 -10.701 -6.970 1.042 55 H CYS 9 HN CYS 9 -2.148 -7.178 0.126 56 HA CYS 9 HA CYS 9 -1.938 -8.925 -2.241 57 HB2 CYS 9 HB2 CYS 9 -1.084 -6.028 -2.040 58 HB3 CYS 9 HB1 CYS 9 -0.905 -7.061 -3.451 59 H GLN 10 HN GLN 10 0.408 -8.763 -3.142 60 HA GLN 10 HA GLN 10 2.303 -8.834 -0.893 61 HB2 GLN 10 HB2 GLN 10 2.662 -9.938 -3.689 62 HB3 GLN 10 HB1 GLN 10 3.728 -10.198 -2.312 63 HG2 GLN 10 HG2 GLN 10 1.799 -11.315 -1.162 64 HG3 GLN 10 HG1 GLN 10 0.927 -11.219 -2.687 65 HE21 GLN 10 HE21 GLN 10 1.680 -13.524 -1.160 66 HE22 GLN 10 HE22 GLN 10 2.674 -14.506 -2.189 67 H TYR 11 HN TYR 11 1.090 -6.690 -2.774 68 HA TYR 11 HA TYR 11 3.308 -5.469 -4.086 69 HD1 TYR 11 HD1 TYR 11 2.309 -4.070 -6.552 70 HD2 TYR 11 HD2 TYR 11 1.346 -2.039 -2.941 71 HE1 TYR 11 HE1 TYR 11 2.955 -1.934 -7.587 72 HE2 TYR 11 HE2 TYR 11 1.987 0.099 -3.964 73 HH TYR 11 HH TYR 11 3.455 0.889 -5.818 74 HB2 TYR 11 HB2 TYR 11 0.969 -5.148 -4.823 75 HB3 TYR 11 HB1 TYR 11 0.612 -4.321 -3.312 76 H GLN 12 HN GLN 12 4.829 -4.228 -3.230 77 HA GLN 12 HA GLN 12 4.324 -3.009 -0.588 78 HB2 GLN 12 HB2 GLN 12 6.766 -3.167 -0.198 79 HB3 GLN 12 HB1 GLN 12 6.016 -4.747 -0.403 80 HG2 GLN 12 HG2 GLN 12 6.793 -4.784 -2.736 81 HG3 GLN 12 HG1 GLN 12 7.583 -3.230 -2.477 82 HE21 GLN 12 HE21 GLN 12 9.411 -3.122 -1.199 83 HE22 GLN 12 HE22 GLN 12 10.329 -4.525 -0.781 84 H ALA 13 HN ALA 13 4.785 -0.859 -0.346 85 HA ALA 13 HA ALA 13 5.915 0.520 -2.692 86 HB1 ALA 13 HB1 ALA 13 4.507 2.451 -2.124 87 HB2 ALA 13 HB2 ALA 13 3.797 1.539 -0.791 88 HB3 ALA 13 HB3 ALA 13 3.533 1.019 -2.455 89 HA PRO 14 HA PRO 14 9.080 1.778 0.188 90 HB2 PRO 14 HB2 PRO 14 10.135 3.793 -1.329 91 HB3 PRO 14 HB1 PRO 14 10.481 2.081 -1.596 92 HG2 PRO 14 HG2 PRO 14 8.552 3.870 -3.021 93 HG3 PRO 14 HG1 PRO 14 9.642 2.638 -3.684 94 HD2 PRO 14 HD2 PRO 14 7.003 2.187 -3.318 95 HD3 PRO 14 HD1 PRO 14 8.215 0.904 -3.140 96 H ASP 15 HN ASP 15 6.745 3.953 -1.229 97 HA ASP 15 HA ASP 15 6.971 5.687 1.139 98 HB2 ASP 15 HB2 ASP 15 6.160 7.554 -0.260 99 HB3 ASP 15 HB1 ASP 15 7.692 6.913 -0.842 100 H MET 16 HN MET 16 5.019 6.521 1.988 101 HA MET 16 HA MET 16 2.941 4.565 1.957 102 HB2 MET 16 HB2 MET 16 1.813 6.051 3.592 103 HB3 MET 16 HB1 MET 16 3.469 5.660 4.028 104 HG2 MET 16 HG2 MET 16 4.220 7.828 3.301 105 HG3 MET 16 HG1 MET 16 2.602 8.234 2.727 106 HE1 MET 16 HE1 MET 16 0.547 8.763 4.317 107 HE2 MET 16 HE2 MET 16 0.565 8.443 6.050 108 HE3 MET 16 HE3 MET 16 0.714 7.110 4.906 109 H ASP 17 HN ASP 17 3.415 7.588 0.325 110 HA ASP 17 HA ASP 17 0.734 8.222 -0.242 111 HB2 ASP 17 HB2 ASP 17 3.299 8.842 -1.708 112 HB3 ASP 17 HB1 ASP 17 1.734 9.439 -2.251 113 H THR 18 HN THR 18 3.128 6.344 -2.081 114 HA THR 18 HA THR 18 1.480 5.675 -4.238 115 HB THR 18 HB THR 18 3.756 4.092 -3.030 116 HG1 THR 18 HG1 THR 18 4.554 6.024 -3.720 117 HG21 THR 18 HG21 THR 18 2.444 3.874 -5.747 118 HG22 THR 18 HG22 THR 18 2.417 2.656 -4.471 119 HG23 THR 18 HG23 THR 18 3.934 3.062 -5.274 120 H LEU 19 HN LEU 19 1.960 4.001 -1.129 121 HA LEU 19 HA LEU 19 0.312 1.783 -1.717 122 HG LEU 19 HG LEU 19 -1.014 1.509 1.053 123 HB2 LEU 19 HB2 LEU 19 1.861 1.750 0.165 124 HB3 LEU 19 HB1 LEU 19 0.965 3.040 0.950 125 HD11 LEU 19 HD11 LEU 19 -0.441 -0.002 -0.737 126 HD12 LEU 19 HD12 LEU 19 -0.602 -0.899 0.773 127 HD13 LEU 19 HD13 LEU 19 1.000 -0.534 0.134 128 HD21 LEU 19 HD21 LEU 19 0.403 1.848 2.994 129 HD22 LEU 19 HD22 LEU 19 1.495 0.580 2.440 130 HD23 LEU 19 HD23 LEU 19 -0.155 0.175 2.919 131 H GLN 20 HN GLN 20 -0.339 4.947 -0.319 132 HA GLN 20 HA GLN 20 -3.009 4.464 0.442 133 HB2 GLN 20 HB2 GLN 20 -1.558 6.366 1.199 134 HB3 GLN 20 HB1 GLN 20 -1.802 7.108 -0.377 135 HG2 GLN 20 HG2 GLN 20 -4.172 7.282 0.032 136 HG3 GLN 20 HG1 GLN 20 -3.996 6.425 1.562 137 HE21 GLN 20 HE21 GLN 20 -5.042 9.094 1.020 138 HE22 GLN 20 HE22 GLN 20 -4.077 10.186 1.966 139 H ILE 21 HN ILE 21 -1.562 5.581 -2.576 140 HA ILE 21 HA ILE 21 -4.073 6.022 -3.880 141 HB ILE 21 HB ILE 21 -1.324 5.611 -5.076 142 HG12 ILE 21 HG12 ILE 21 -2.865 8.149 -4.486 143 HG13 ILE 21 HG11 ILE 21 -1.505 7.546 -3.546 144 HG21 ILE 21 HG21 ILE 21 -2.248 6.679 -7.082 145 HG22 ILE 21 HG22 ILE 21 -3.841 6.718 -6.323 146 HG23 ILE 21 HG23 ILE 21 -3.084 5.171 -6.705 147 HD11 ILE 21 HD11 ILE 21 -1.400 8.386 -6.431 148 HD12 ILE 21 HD12 ILE 21 -0.039 7.828 -5.458 149 HD13 ILE 21 HD13 ILE 21 -0.848 9.342 -5.056 150 H HIS 22 HN HIS 22 -1.910 3.311 -3.468 151 HA HIS 22 HA HIS 22 -3.047 1.576 -5.386 152 HD1 HIS 22 HD1 HIS 22 -1.400 -1.008 -6.023 153 HD2 HIS 22 HD2 HIS 22 -2.659 -1.391 -2.071 154 HE1 HIS 22 HE1 HIS 22 -1.925 -3.459 -5.673 155 HB2 HIS 22 HB2 HIS 22 -0.881 1.065 -4.450 156 HB3 HIS 22 HB1 HIS 22 -1.539 1.010 -2.820 157 H VAL 23 HN VAL 23 -3.592 1.803 -1.859 158 HA VAL 23 HA VAL 23 -5.775 -0.072 -2.003 159 HB VAL 23 HB VAL 23 -6.081 0.337 0.397 160 HG11 VAL 23 HG11 VAL 23 -3.205 -0.076 -0.398 161 HG12 VAL 23 HG12 VAL 23 -4.459 -1.312 -0.336 162 HG13 VAL 23 HG13 VAL 23 -3.923 -0.526 1.147 163 HG21 VAL 23 HG21 VAL 23 -5.567 2.696 0.518 164 HG22 VAL 23 HG22 VAL 23 -3.896 2.390 0.048 165 HG23 VAL 23 HG23 VAL 23 -4.495 1.806 1.600 166 H MET 24 HN MET 24 -5.423 3.360 -2.090 167 HA MET 24 HA MET 24 -6.855 5.070 -2.415 168 HB2 MET 24 HB2 MET 24 -7.854 3.473 -4.113 169 HB3 MET 24 HB1 MET 24 -9.053 3.063 -2.894 170 HG2 MET 24 HG2 MET 24 -9.822 5.361 -2.839 171 HG3 MET 24 HG1 MET 24 -8.574 5.824 -3.997 172 HE1 MET 24 HE1 MET 24 -11.715 6.162 -6.238 173 HE2 MET 24 HE2 MET 24 -10.211 6.907 -5.697 174 HE3 MET 24 HE3 MET 24 -11.521 6.635 -4.549 175 H GLU 25 HN GLU 25 -9.527 3.085 -1.232 176 HA GLU 25 HA GLU 25 -9.265 4.138 1.437 177 HB2 GLU 25 HB2 GLU 25 -11.369 5.134 -0.448 178 HB3 GLU 25 HB1 GLU 25 -11.711 5.032 1.272 179 HG2 GLU 25 HG2 GLU 25 -9.793 6.498 1.722 180 HG3 GLU 25 HG1 GLU 25 -9.508 6.630 -0.013 181 H PHE 26 HN PHE 26 -9.369 2.136 2.336 182 HA PHE 26 HA PHE 26 -12.025 0.909 2.296 183 HD1 PHE 26 HD1 PHE 26 -9.221 0.609 -0.201 184 HD2 PHE 26 HD2 PHE 26 -12.491 -1.918 0.777 185 HE1 PHE 26 HE1 PHE 26 -9.755 0.381 -2.591 186 HE2 PHE 26 HE2 PHE 26 -13.029 -2.165 -1.592 187 HZ PHE 26 HZ PHE 26 -11.695 -0.816 -3.303 188 HB2 PHE 26 HB2 PHE 26 -9.418 -0.606 2.009 189 HB3 PHE 26 HB1 PHE 26 -10.954 -1.367 2.415 190 H ILE 27 HN ILE 27 -12.507 1.790 4.252 191 HA ILE 27 HA ILE 27 -10.843 0.915 6.510 192 HB ILE 27 HB ILE 27 -10.594 3.260 6.407 193 HG12 ILE 27 HG12 ILE 27 -12.772 2.628 8.391 194 HG13 ILE 27 HG11 ILE 27 -11.044 2.431 8.651 195 HG21 ILE 27 HG21 ILE 27 -12.423 4.852 6.205 196 HG22 ILE 27 HG22 ILE 27 -13.582 3.528 6.127 197 HG23 ILE 27 HG23 ILE 27 -12.405 3.744 4.834 198 HD11 ILE 27 HD11 ILE 27 -11.928 4.422 9.761 199 HD12 ILE 27 HD12 ILE 27 -12.446 5.058 8.197 200 HD13 ILE 27 HD13 ILE 27 -10.730 4.830 8.534 201 H GLU 28 HN GLU 28 -11.875 -0.818 7.232 202 HA GLU 28 HA GLU 28 -14.506 -0.503 8.383 203 HB2 GLU 28 HB2 GLU 28 -14.941 -1.200 6.006 204 HB3 GLU 28 HB1 GLU 28 -14.034 -2.673 6.324 205 HG2 GLU 28 HG2 GLU 28 -15.662 -3.275 8.063 206 HG3 GLU 28 HG1 GLU 28 -16.577 -1.816 7.689 Start of MODEL 10 1 HA SER 1 HA SER 1 8.869 -4.642 6.011 2 HG SER 1 HG SER 1 9.607 -6.676 6.686 3 H1 SER 1 HT1 SER 1 10.777 -5.572 4.875 4 H2 SER 1 HT2 SER 1 11.660 -4.157 5.177 5 H3 SER 1 HT3 SER 1 10.275 -4.103 4.193 6 HB2 SER 1 HB2 SER 1 11.430 -4.726 7.626 7 HB3 SER 1 HB1 SER 1 9.800 -4.851 8.292 8 H SER 2 HN SER 2 11.540 -2.419 5.620 9 HA SER 2 HA SER 2 10.289 -0.323 7.150 10 HG SER 2 HG SER 2 13.546 -0.851 5.072 11 HB2 SER 2 HB2 SER 2 12.037 1.123 6.087 12 HB3 SER 2 HB1 SER 2 12.705 -0.290 6.904 13 H ASP 3 HN ASP 3 9.836 -1.732 4.158 14 HA ASP 3 HA ASP 3 8.715 0.514 2.757 15 HB2 ASP 3 HB2 ASP 3 7.970 -1.247 1.148 16 HB3 ASP 3 HB1 ASP 3 9.697 -1.312 1.492 17 H PHE 4 HN PHE 4 6.404 0.290 1.926 18 HA PHE 4 HA PHE 4 4.659 -0.595 4.130 19 HD1 PHE 4 HD2 PHE 4 4.180 1.288 5.870 20 HD2 PHE 4 HD1 PHE 4 5.745 3.306 2.466 21 HE1 PHE 4 HE2 PHE 4 5.389 2.838 7.349 22 HE2 PHE 4 HE1 PHE 4 6.959 4.860 3.938 23 HZ PHE 4 HZ PHE 4 6.785 4.627 6.384 24 HB2 PHE 4 HB2 PHE 4 4.159 1.658 2.169 25 HB3 PHE 4 HB1 PHE 4 3.115 1.194 3.507 26 H CYS 5 HN CYS 5 3.803 -2.481 3.512 27 HA CYS 5 HA CYS 5 3.245 -2.918 0.678 28 HG CYS 5 HG CYS 5 2.356 -5.189 4.107 29 HB2 CYS 5 HB2 CYS 5 3.031 -5.327 1.419 30 HB3 CYS 5 HB1 CYS 5 4.628 -4.610 1.606 31 H CYS 6 HN CYS 6 1.256 -3.573 -0.089 32 HA CYS 6 HA CYS 6 -1.064 -2.816 1.403 33 HB2 CYS 6 HB2 CYS 6 -1.021 -2.683 -1.062 34 HB3 CYS 6 HB1 CYS 6 -0.850 -4.431 -1.156 35 HA PRO 7 HA PRO 7 -1.082 -6.638 3.694 36 HB2 PRO 7 HB2 PRO 7 -3.322 -6.154 5.145 37 HB3 PRO 7 HB1 PRO 7 -1.768 -5.391 5.494 38 HG2 PRO 7 HG2 PRO 7 -4.129 -4.288 4.021 39 HG3 PRO 7 HG1 PRO 7 -3.084 -3.498 5.217 40 HD2 PRO 7 HD2 PRO 7 -2.821 -3.103 2.546 41 HD3 PRO 7 HD1 PRO 7 -1.446 -3.041 3.669 42 H LYS 8 HN LYS 8 -3.175 -5.699 1.309 43 HA LYS 8 HA LYS 8 -4.862 -8.095 1.527 44 HB2 LYS 8 HB2 LYS 8 -5.231 -5.636 -0.202 45 HB3 LYS 8 HB1 LYS 8 -6.367 -6.965 -0.034 46 HG2 LYS 8 HG2 LYS 8 -6.902 -6.366 2.180 47 HG3 LYS 8 HG1 LYS 8 -5.526 -5.263 2.287 48 HD2 LYS 8 HD2 LYS 8 -6.532 -3.769 0.692 49 HD3 LYS 8 HD1 LYS 8 -7.846 -4.905 0.392 50 HE2 LYS 8 HE2 LYS 8 -7.310 -3.715 3.101 51 HE3 LYS 8 HE1 LYS 8 -8.370 -2.951 1.918 52 HZ1 LYS 8 HZ1 LYS 8 -9.608 -4.307 3.491 53 HZ2 LYS 8 HZ2 LYS 8 -8.726 -5.685 3.041 54 HZ3 LYS 8 HZ3 LYS 8 -9.750 -4.931 1.919 55 H CYS 9 HN CYS 9 -2.050 -7.130 0.118 56 HA CYS 9 HA CYS 9 -2.411 -8.869 -2.211 57 HB2 CYS 9 HB2 CYS 9 -1.315 -6.053 -2.380 58 HB3 CYS 9 HB1 CYS 9 -1.372 -7.208 -3.705 59 H GLN 10 HN GLN 10 -0.195 -8.968 -3.417 60 HA GLN 10 HA GLN 10 1.953 -9.179 -1.420 61 HB2 GLN 10 HB2 GLN 10 1.714 -10.374 -4.195 62 HB3 GLN 10 HB1 GLN 10 3.093 -10.586 -3.122 63 HG2 GLN 10 HG2 GLN 10 0.275 -11.519 -2.630 64 HG3 GLN 10 HG1 GLN 10 1.665 -12.526 -3.041 65 HE21 GLN 10 HE21 GLN 10 3.504 -11.038 -1.333 66 HE22 GLN 10 HE22 GLN 10 3.100 -11.479 0.293 67 H TYR 11 HN TYR 11 1.547 -6.684 -1.856 68 HA TYR 11 HA TYR 11 3.465 -5.816 -3.909 69 HD1 TYR 11 HD1 TYR 11 2.794 -4.280 -6.321 70 HD2 TYR 11 HD2 TYR 11 1.395 -2.299 -2.828 71 HE1 TYR 11 HE1 TYR 11 3.524 -2.131 -7.256 72 HE2 TYR 11 HE2 TYR 11 2.124 -0.136 -3.752 73 HH TYR 11 HH TYR 11 2.930 0.285 -6.995 74 HB2 TYR 11 HB2 TYR 11 1.224 -5.372 -4.757 75 HB3 TYR 11 HB1 TYR 11 0.780 -4.575 -3.252 76 H GLN 12 HN GLN 12 5.067 -4.690 -3.044 77 HA GLN 12 HA GLN 12 4.570 -3.266 -0.518 78 HB2 GLN 12 HB2 GLN 12 6.997 -3.311 -0.173 79 HB3 GLN 12 HB1 GLN 12 6.349 -4.931 -0.367 80 HG2 GLN 12 HG2 GLN 12 7.166 -5.016 -2.646 81 HG3 GLN 12 HG1 GLN 12 7.737 -3.354 -2.520 82 HE21 GLN 12 HE21 GLN 12 7.991 -5.638 0.102 83 HE22 GLN 12 HE22 GLN 12 9.710 -5.809 0.045 84 H ALA 13 HN ALA 13 4.814 -1.110 -0.406 85 HA ALA 13 HA ALA 13 5.730 0.276 -2.841 86 HB1 ALA 13 HB1 ALA 13 3.349 0.617 -2.400 87 HB2 ALA 13 HB2 ALA 13 4.251 2.122 -2.206 88 HB3 ALA 13 HB3 ALA 13 3.730 1.218 -0.784 89 HA PRO 14 HA PRO 14 8.918 1.906 -0.238 90 HB2 PRO 14 HB2 PRO 14 9.916 3.768 -1.887 91 HB3 PRO 14 HB1 PRO 14 10.092 2.040 -2.223 92 HG2 PRO 14 HG2 PRO 14 8.141 4.004 -3.366 93 HG3 PRO 14 HG1 PRO 14 9.070 2.739 -4.193 94 HD2 PRO 14 HD2 PRO 14 6.446 2.469 -3.450 95 HD3 PRO 14 HD1 PRO 14 7.566 1.103 -3.627 96 H ASP 15 HN ASP 15 6.069 3.469 -0.858 97 HA ASP 15 HA ASP 15 6.675 5.579 1.041 98 HB2 ASP 15 HB2 ASP 15 7.187 6.576 -1.169 99 HB3 ASP 15 HB1 ASP 15 5.547 6.207 -1.691 100 H MET 16 HN MET 16 4.857 6.407 2.066 101 HA MET 16 HA MET 16 2.721 4.517 2.250 102 HB2 MET 16 HB2 MET 16 1.822 6.004 4.004 103 HB3 MET 16 HB1 MET 16 3.507 5.584 4.261 104 HG2 MET 16 HG2 MET 16 4.178 7.766 3.379 105 HG3 MET 16 HG1 MET 16 2.481 8.184 3.148 106 HE1 MET 16 HE1 MET 16 3.659 10.408 6.185 107 HE2 MET 16 HE2 MET 16 2.998 10.420 4.549 108 HE3 MET 16 HE3 MET 16 4.661 9.900 4.826 109 H ASP 17 HN ASP 17 3.055 7.679 0.721 110 HA ASP 17 HA ASP 17 0.229 8.047 0.373 111 HB2 ASP 17 HB2 ASP 17 1.850 9.945 0.336 112 HB3 ASP 17 HB1 ASP 17 2.472 9.338 -1.197 113 H THR 18 HN THR 18 2.874 6.785 -1.560 114 HA THR 18 HA THR 18 1.446 6.162 -3.895 115 HB THR 18 HB THR 18 3.708 4.524 -2.728 116 HG1 THR 18 HG1 THR 18 3.681 7.070 -3.959 117 HG21 THR 18 HG21 THR 18 2.632 3.526 -4.674 118 HG22 THR 18 HG22 THR 18 4.246 4.104 -5.096 119 HG23 THR 18 HG23 THR 18 2.825 5.032 -5.573 120 H LEU 19 HN LEU 19 1.883 4.418 -0.853 121 HA LEU 19 HA LEU 19 0.590 2.031 -1.592 122 HG LEU 19 HG LEU 19 -0.874 1.475 1.074 123 HB2 LEU 19 HB2 LEU 19 1.973 2.233 0.423 124 HB3 LEU 19 HB1 LEU 19 0.794 3.321 1.133 125 HD11 LEU 19 HD11 LEU 19 -0.094 -0.811 0.724 126 HD12 LEU 19 HD12 LEU 19 1.498 -0.201 0.266 127 HD13 LEU 19 HD13 LEU 19 0.090 0.165 -0.734 128 HD21 LEU 19 HD21 LEU 19 0.365 1.968 3.105 129 HD22 LEU 19 HD22 LEU 19 1.671 0.902 2.584 130 HD23 LEU 19 HD23 LEU 19 0.079 0.235 2.952 131 H GLN 20 HN GLN 20 -0.646 5.016 -0.111 132 HA GLN 20 HA GLN 20 -3.291 4.172 0.264 133 HB2 GLN 20 HB2 GLN 20 -2.228 6.943 -0.301 134 HB3 GLN 20 HB1 GLN 20 -3.865 6.595 0.234 135 HG2 GLN 20 HG2 GLN 20 -1.325 6.061 1.759 136 HG3 GLN 20 HG1 GLN 20 -2.515 7.316 2.097 137 HE21 GLN 20 HE21 GLN 20 -1.560 5.183 3.815 138 HE22 GLN 20 HE22 GLN 20 -2.950 4.260 4.268 139 H ILE 21 HN ILE 21 -1.656 5.439 -2.571 140 HA ILE 21 HA ILE 21 -3.973 5.715 -4.191 141 HB ILE 21 HB ILE 21 -1.111 5.221 -5.041 142 HG12 ILE 21 HG12 ILE 21 -2.658 7.807 -4.769 143 HG13 ILE 21 HG11 ILE 21 -1.433 7.239 -3.639 144 HG21 ILE 21 HG21 ILE 21 -1.796 6.181 -7.188 145 HG22 ILE 21 HG22 ILE 21 -3.456 6.298 -6.608 146 HG23 ILE 21 HG23 ILE 21 -2.707 4.717 -6.820 147 HD11 ILE 21 HD11 ILE 21 -0.536 8.925 -5.139 148 HD12 ILE 21 HD12 ILE 21 -0.973 7.935 -6.532 149 HD13 ILE 21 HD13 ILE 21 0.253 7.369 -5.398 150 H HIS 22 HN HIS 22 -1.629 3.101 -3.709 151 HA HIS 22 HA HIS 22 -2.667 1.289 -5.573 152 HD1 HIS 22 HD1 HIS 22 -0.710 -1.283 -6.029 153 HD2 HIS 22 HD2 HIS 22 -2.524 -1.541 -2.290 154 HE1 HIS 22 HE1 HIS 22 -1.264 -3.730 -5.670 155 HB2 HIS 22 HB2 HIS 22 -0.512 0.867 -4.595 156 HB3 HIS 22 HB1 HIS 22 -1.194 0.825 -2.973 157 H VAL 23 HN VAL 23 -3.432 1.742 -2.127 158 HA VAL 23 HA VAL 23 -5.345 -0.352 -2.045 159 HB VAL 23 HB VAL 23 -5.342 2.051 -0.225 160 HG11 VAL 23 HG11 VAL 23 -6.297 0.465 1.379 161 HG12 VAL 23 HG12 VAL 23 -6.225 -0.805 0.156 162 HG13 VAL 23 HG13 VAL 23 -7.287 0.584 -0.076 163 HG21 VAL 23 HG21 VAL 23 -3.737 -0.493 0.076 164 HG22 VAL 23 HG22 VAL 23 -3.828 0.829 1.241 165 HG23 VAL 23 HG23 VAL 23 -3.074 1.089 -0.332 166 H MET 24 HN MET 24 -5.667 3.166 -2.335 167 HA MET 24 HA MET 24 -7.153 4.482 -3.413 168 HB2 MET 24 HB2 MET 24 -6.942 2.888 -5.279 169 HB3 MET 24 HB1 MET 24 -8.244 1.924 -4.599 170 HG2 MET 24 HG2 MET 24 -9.096 3.266 -6.395 171 HG3 MET 24 HG1 MET 24 -9.768 3.834 -4.867 172 HE1 MET 24 HE1 MET 24 -10.545 6.106 -5.939 173 HE2 MET 24 HE2 MET 24 -9.944 5.556 -7.503 174 HE3 MET 24 HE3 MET 24 -9.496 7.151 -6.899 175 H GLU 25 HN GLU 25 -8.764 1.546 -2.214 176 HA GLU 25 HA GLU 25 -10.947 3.258 -1.219 177 HB2 GLU 25 HB2 GLU 25 -11.040 0.355 -2.029 178 HB3 GLU 25 HB1 GLU 25 -12.382 1.302 -1.408 179 HG2 GLU 25 HG2 GLU 25 -12.493 2.625 -3.344 180 HG3 GLU 25 HG1 GLU 25 -10.913 2.073 -3.902 181 H PHE 26 HN PHE 26 -10.995 3.442 0.908 182 HA PHE 26 HA PHE 26 -9.840 1.263 2.522 183 HD1 PHE 26 HD1 PHE 26 -7.538 2.262 1.496 184 HD2 PHE 26 HD2 PHE 26 -9.443 5.912 2.593 185 HE1 PHE 26 HE1 PHE 26 -6.209 3.459 -0.173 186 HE2 PHE 26 HE2 PHE 26 -8.091 7.113 0.932 187 HZ PHE 26 HZ PHE 26 -6.467 5.892 -0.454 188 HB2 PHE 26 HB2 PHE 26 -10.050 3.997 3.674 189 HB3 PHE 26 HB1 PHE 26 -8.783 2.787 3.869 190 H ILE 27 HN ILE 27 -12.547 3.212 1.854 191 HA ILE 27 HA ILE 27 -14.728 3.031 2.423 192 HB ILE 27 HB ILE 27 -13.984 0.803 4.328 193 HG12 ILE 27 HG12 ILE 27 -13.158 0.290 2.074 194 HG13 ILE 27 HG11 ILE 27 -14.528 -0.736 2.483 195 HG21 ILE 27 HG21 ILE 27 -16.578 1.519 2.964 196 HG22 ILE 27 HG22 ILE 27 -16.219 1.668 4.684 197 HG23 ILE 27 HG23 ILE 27 -16.307 0.074 3.937 198 HD11 ILE 27 HD11 ILE 27 -14.638 0.053 0.175 199 HD12 ILE 27 HD12 ILE 27 -14.642 1.722 0.747 200 HD13 ILE 27 HD13 ILE 27 -15.992 0.657 1.132 201 H GLU 28 HN GLU 28 -12.271 3.843 4.477 202 HA GLU 28 HA GLU 28 -14.113 5.510 5.998 203 HB2 GLU 28 HB2 GLU 28 -11.915 3.851 7.257 204 HB3 GLU 28 HB1 GLU 28 -12.737 5.170 8.073 205 HG2 GLU 28 HG2 GLU 28 -14.879 3.923 7.744 206 HG3 GLU 28 HG1 GLU 28 -13.919 2.569 7.148
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