NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
519839 | 2lds | 17681 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H1 ASP 1 -12.726 -7.850 -4.355 2 HA ASP 1 HA ASP 1 -14.848 -6.351 -4.101 3 HB3 ASP 1 HB3 ASP 1 -14.098 -4.635 -2.217 4 H PHE 2 H PHE 2 -11.477 -5.575 -3.228 5 HA PHE 2 HA PHE 2 -11.423 -3.722 -5.519 6 HB3 PHE 2 HB3 PHE 2 -9.419 -2.812 -3.901 7 HD1 PHE 2 HD1 PHE 2 -13.120 -2.655 -3.415 8 HD2 PHE 2 HD2 PHE 2 -9.541 -0.595 -4.448 9 HE1 PHE 2 HE1 PHE 2 -14.404 -0.575 -3.705 10 HE2 PHE 2 HE2 PHE 2 -10.818 1.487 -4.739 11 HZ PHE 2 HZ PHE 2 -13.253 1.499 -4.366 12 HA PRO 3 HA PRO 3 -7.944 -5.833 -7.156 13 HB3 PRO 3 HB3 PRO 3 -7.907 -4.275 -8.844 14 HG3 PRO 3 HG3 PRO 3 -8.354 -2.033 -8.418 15 HD3 PRO 3 HD3 PRO 3 -10.163 -3.004 -7.371 16 H LEU 4 H LEU 4 -6.892 -2.968 -5.305 17 HA LEU 4 HA LEU 4 -5.243 -2.663 -3.769 18 HB3 LEU 4 HB3 LEU 4 -5.303 -5.662 -3.482 19 HG LEU 4 HG LEU 4 -3.462 -4.758 -2.207 20 HD11 LEU 4 HD11 LEU 4 -3.556 -2.647 -1.530 21 HD12 LEU 4 HD12 LEU 4 -4.644 -3.172 -0.248 22 HD13 LEU 4 HD13 LEU 4 -5.301 -2.582 -1.774 23 HD21 LEU 4 HD21 LEU 4 -5.827 -5.929 -0.962 24 HD22 LEU 4 HD22 LEU 4 -4.781 -5.078 0.175 25 HD23 LEU 4 HD23 LEU 4 -4.128 -6.380 -0.820 26 H SER 5 H SER 5 -2.925 -3.077 -3.323 27 HA SER 5 HA SER 5 -1.461 -4.557 -5.341 28 HB3 SER 5 HB3 SER 5 -0.093 -2.169 -5.451 29 HG SER 5 HG SER 5 -0.940 -2.070 -7.554 30 H LYS 6 H LYS 6 1.036 -3.930 -4.968 31 HA LYS 6 HA LYS 6 1.481 -3.946 -2.055 32 HB3 LYS 6 HB3 LYS 6 1.795 -6.194 -2.921 33 HG3 LYS 6 HG3 LYS 6 4.116 -6.123 -4.419 34 HD3 LYS 6 HD3 LYS 6 2.636 -6.883 -6.272 35 HE3 LYS 6 HE3 LYS 6 1.523 -8.236 -3.888 36 HZ1 LYS 6 HZ1 LYS 6 1.513 -9.913 -5.311 37 HZ2 LYS 6 HZ2 LYS 6 3.182 -9.792 -5.557 38 HZ3 LYS 6 HZ3 LYS 6 2.118 -8.890 -6.515 39 H GLU 7 H GLU 7 3.518 -3.110 -1.335 40 HA GLU 7 HA GLU 7 5.208 -1.587 -1.289 41 HB3 GLU 7 HB3 GLU 7 5.744 -1.322 -4.115 42 HG3 GLU 7 HG3 GLU 7 7.168 -2.294 -1.706 43 H TYR 8 H TYR 8 5.975 0.474 -2.881 44 HA TYR 8 HA TYR 8 4.109 2.455 -2.360 45 HB3 TYR 8 HB3 TYR 8 6.484 2.913 -2.787 46 HD1 TYR 8 HD1 TYR 8 7.680 0.954 -3.763 47 HD2 TYR 8 HD2 TYR 8 5.547 3.726 -6.184 48 HE1 TYR 8 HE1 TYR 8 8.888 0.141 -5.745 49 HE2 TYR 8 HE2 TYR 8 6.748 2.921 -8.174 50 HH TYR 8 HH TYR 8 9.370 1.540 -8.305 51 H GLU 9 H GLU 9 2.254 3.020 -3.273 52 HA GLU 9 HA GLU 9 1.752 3.191 -6.011 53 HB3 GLU 9 HB3 GLU 9 -0.075 1.095 -5.431 54 HG3 GLU 9 HG3 GLU 9 2.294 1.245 -7.274 55 H THR 10 H THR 10 -0.188 1.936 -3.292 56 HA THR 10 HA THR 10 -1.435 4.338 -2.620 57 HB THR 10 HB THR 10 -2.490 4.440 -4.743 58 HG1 THR 10 HG1 THR 10 -3.933 4.828 -3.022 59 HG21 THR 10 HG21 THR 10 -3.802 2.570 -5.672 60 HG22 THR 10 HG22 THR 10 -3.277 1.553 -4.331 61 HG23 THR 10 HG23 THR 10 -2.097 2.161 -5.492 62 H CYS 11 H CYS 11 -3.234 4.057 -1.136 63 HA CYS 11 HA CYS 11 -4.064 1.438 -0.341 64 HB3 CYS 11 HB3 CYS 11 -1.876 1.366 0.685 65 H VAL 12 H VAL 12 -5.719 3.301 -1.088 66 HA VAL 12 HA VAL 12 -6.544 5.175 0.863 67 HB VAL 12 HB VAL 12 -8.656 5.302 -0.429 68 HG11 VAL 12 HG11 VAL 12 -7.449 5.815 -2.688 69 HG12 VAL 12 HG12 VAL 12 -7.088 6.777 -1.253 70 HG13 VAL 12 HG13 VAL 12 -5.988 5.493 -1.756 71 HG21 VAL 12 HG21 VAL 12 -9.026 3.957 -2.367 72 HG22 VAL 12 HG22 VAL 12 -7.438 3.205 -2.217 73 HG23 VAL 12 HG23 VAL 12 -8.690 2.867 -1.022 74 H ARG 13 H ARG 13 -9.100 4.978 1.434 75 HA ARG 13 HA ARG 13 -9.287 3.261 3.584 76 HB3 ARG 13 HB3 ARG 13 -11.919 3.637 2.584 77 HG3 ARG 13 HG3 ARG 13 -10.547 4.144 4.929 78 HD3 ARG 13 HD3 ARG 13 -10.367 6.503 3.613 79 HE ARG 13 HE ARG 13 -12.403 7.518 3.682 80 HH11 ARG 13 HH11 ARG 13 -12.025 5.610 6.569 81 HH12 ARG 13 HH12 ARG 13 -13.516 6.144 7.274 82 HH21 ARG 13 HH22 ARG 13 -14.367 8.228 4.599 83 HH22 ARG 13 HH21 ARG 13 -14.847 7.632 6.152 84 HA PRO 14 HA PRO 14 -11.839 0.149 0.918 85 HB3 PRO 14 HB3 PRO 14 -13.102 1.263 -0.646 86 HG3 PRO 14 HG3 PRO 14 -12.316 3.202 -1.661 87 HD3 PRO 14 HD3 PRO 14 -11.938 3.730 0.550 88 H ARG 15 H ARG 15 -8.772 1.386 0.224 89 HA ARG 15 HA ARG 15 -7.933 -1.162 -0.993 90 HB3 ARG 15 HB3 ARG 15 -5.965 0.134 -1.855 91 HG3 ARG 15 HG3 ARG 15 -8.590 1.291 -2.766 92 HD3 ARG 15 HD3 ARG 15 -6.598 0.702 -4.773 93 HE ARG 15 HE ARG 15 -7.438 3.424 -4.325 94 HH11 ARG 15 HH11 ARG 15 -8.269 0.331 -5.688 95 HH12 ARG 15 HH12 ARG 15 -9.410 0.987 -6.814 96 HH21 ARG 15 HH22 ARG 15 -8.938 4.300 -5.803 97 HH22 ARG 15 HH21 ARG 15 -9.788 3.245 -6.880 98 H LYS 16 H LYS 16 -7.981 -1.807 1.366 99 HA LYS 16 HA LYS 16 -5.859 -0.788 3.033 100 HB3 LYS 16 HB3 LYS 16 -7.871 -1.496 4.131 101 HG3 LYS 16 HG3 LYS 16 -7.915 -3.592 2.256 102 HD3 LYS 16 HD3 LYS 16 -7.500 -4.495 5.087 103 HE3 LYS 16 HE3 LYS 16 -9.664 -5.304 3.511 104 HZ1 LYS 16 HZ1 LYS 16 -9.002 -7.755 3.372 105 HZ2 LYS 16 HZ2 LYS 16 -7.404 -7.196 3.357 106 HZ3 LYS 16 HZ3 LYS 16 -8.477 -6.725 2.137 107 H CYS 17 H CYS 17 -3.812 -1.334 2.713 108 HA CYS 17 HA CYS 17 -2.823 -3.278 1.045 109 HB3 CYS 17 HB3 CYS 17 -0.749 -3.171 2.603 110 H GLN 18 H GLN 18 -3.090 -5.402 1.060 111 HA GLN 18 HA GLN 18 -4.048 -6.870 3.261 112 HB3 GLN 18 HB3 GLN 18 -2.926 -8.783 1.673 113 HG3 GLN 18 HG3 GLN 18 -5.479 -7.360 0.967 114 HE21 GLN 18 HE22 GLN 18 -6.960 -8.625 -0.150 115 HE22 GLN 18 HE21 GLN 18 -6.492 -10.053 -1.002 116 HA PRO 19 HA PRO 19 0.454 -8.563 3.729 117 HB3 PRO 19 HB3 PRO 19 1.508 -8.652 1.689 118 HG3 PRO 19 HG3 PRO 19 1.086 -7.055 0.050 119 HD3 PRO 19 HD3 PRO 19 -1.075 -7.640 0.601 120 HA PRO 20 HA PRO 20 1.865 -5.669 6.723 121 HB3 PRO 20 HB3 PRO 20 3.200 -7.324 7.593 122 HG3 PRO 20 HG3 PRO 20 4.323 -8.813 6.204 123 HD3 PRO 20 HD3 PRO 20 2.201 -8.968 5.318 124 H LEU 21 H LEU 21 1.506 -3.947 5.004 125 HA LEU 21 HA LEU 21 4.048 -2.757 4.127 126 HB3 LEU 21 HB3 LEU 21 2.464 -1.308 2.722 127 HG LEU 21 HG LEU 21 2.672 -4.252 2.109 128 HD11 LEU 21 HD11 LEU 21 0.753 -3.308 0.944 129 HD12 LEU 21 HD12 LEU 21 2.066 -3.657 -0.182 130 HD13 LEU 21 HD13 LEU 21 1.760 -1.996 0.328 131 HD21 LEU 21 HD21 LEU 21 4.128 -2.437 0.412 132 HD22 LEU 21 HD22 LEU 21 4.715 -3.800 1.366 133 HD23 LEU 21 HD23 LEU 21 4.570 -2.204 2.104 134 H LYS 22 H LYS 22 3.879 -0.257 4.003 135 HA LYS 22 HA LYS 22 2.437 0.856 6.290 136 HB3 LYS 22 HB3 LYS 22 5.281 1.682 5.986 137 HG3 LYS 22 HG3 LYS 22 3.530 1.207 8.390 138 HD3 LYS 22 HD3 LYS 22 5.331 2.438 9.589 139 HE3 LYS 22 HE3 LYS 22 5.161 -0.212 9.104 140 HZ1 LYS 22 HZ1 LYS 22 6.697 -0.782 7.612 141 HZ2 LYS 22 HZ2 LYS 22 7.836 -0.489 8.828 142 HZ3 LYS 22 HZ3 LYS 22 7.487 0.712 7.691 143 H CYS 23 H CYS 23 1.375 2.583 5.604 144 HA CYS 23 HA CYS 23 2.160 3.913 3.153 145 HB3 CYS 23 HB3 CYS 23 0.055 5.109 3.350 146 H ASN 24 H ASN 24 1.408 6.496 3.517 147 HA ASN 24 HA ASN 24 3.117 7.506 5.686 148 HB3 ASN 24 HB3 ASN 24 4.619 8.005 4.063 149 HD21 ASN 24 HD22 ASN 24 2.598 9.544 1.835 150 HD22 ASN 24 HD21 ASN 24 2.662 8.353 0.584 151 H LYS 25 H LYS 25 0.984 8.711 3.091 152 HA LYS 25 HA LYS 25 -1.034 9.665 4.768 153 HB3 LYS 25 HB3 LYS 25 0.203 12.131 3.844 154 HG3 LYS 25 HG3 LYS 25 -0.369 11.338 6.681 155 HD3 LYS 25 HD3 LYS 25 0.459 13.732 5.360 156 HE3 LYS 25 HE3 LYS 25 -2.364 13.648 6.220 157 HZ1 LYS 25 HZ1 LYS 25 -2.283 15.308 7.659 158 HZ2 LYS 25 HZ2 LYS 25 -1.438 16.281 6.562 159 HZ3 LYS 25 HZ3 LYS 25 -0.592 15.271 7.622 160 H ALA 26 H ALA 26 0.775 10.071 1.790 161 HA ALA 26 HA ALA 26 -1.597 11.040 0.389 162 HB1 ALA 26 HB1 ALA 26 -0.214 11.788 -1.274 163 HB2 ALA 26 HB2 ALA 26 0.880 11.873 0.106 164 HB3 ALA 26 HB3 ALA 26 0.975 10.513 -1.012 165 H GLN 27 H GLN 27 -1.214 8.237 1.448 166 HA GLN 27 HA GLN 27 -1.712 6.108 0.825 167 HB3 GLN 27 HB3 GLN 27 -2.974 5.959 -1.455 168 HG3 GLN 27 HG3 GLN 27 -4.216 5.800 0.575 169 HE21 GLN 27 HE22 GLN 27 -4.136 9.273 -0.168 170 HE22 GLN 27 HE21 GLN 27 -4.081 9.796 1.477 171 H ILE 28 H ILE 28 0.243 5.144 0.578 172 HA ILE 28 HA ILE 28 1.170 4.771 -2.161 173 HB ILE 28 HB ILE 28 2.976 5.748 0.054 174 HG13 ILE 28 HG13 ILE 28 3.388 7.648 -1.405 175 HG21 ILE 28 HG21 ILE 28 3.632 4.715 -2.699 176 HG22 ILE 28 HG22 ILE 28 4.762 5.608 -1.683 177 HG23 ILE 28 HG23 ILE 28 4.144 4.045 -1.151 178 HD11 ILE 28 HD11 ILE 28 2.211 6.003 -3.428 179 HD12 ILE 28 HD12 ILE 28 1.334 7.526 -3.298 180 HD13 ILE 28 HD13 ILE 28 3.074 7.533 -3.588 181 H CYS 29 H CYS 29 1.801 3.989 1.254 182 HA CYS 29 HA CYS 29 2.143 2.003 2.314 183 HB3 CYS 29 HB3 CYS 29 1.608 0.080 0.276 184 H VAL 30 H VAL 30 4.064 1.153 2.752 185 HA VAL 30 HA VAL 30 5.679 -0.181 0.831 186 HB VAL 30 HB VAL 30 7.616 1.616 1.470 187 HG11 VAL 30 HG11 VAL 30 6.027 2.226 -0.957 188 HG12 VAL 30 HG12 VAL 30 7.760 1.945 -0.777 189 HG13 VAL 30 HG13 VAL 30 6.640 0.582 -0.778 190 HG21 VAL 30 HG21 VAL 30 5.246 3.332 0.789 191 HG22 VAL 30 HG22 VAL 30 5.762 3.060 2.453 192 HG23 VAL 30 HG23 VAL 30 6.855 3.834 1.306 193 H ASP 31 H ASP 31 8.054 -0.370 1.860 194 HA ASP 31 HA ASP 31 8.321 -0.253 4.658 195 HB3 ASP 31 HB3 ASP 31 6.795 -1.963 5.015 196 HA PRO 32 HA PRO 32 12.507 -1.047 3.621 197 HB3 PRO 32 HB3 PRO 32 13.040 -0.511 5.790 198 HG3 PRO 32 HG3 PRO 32 11.672 -1.156 7.556 199 HD3 PRO 32 HD3 PRO 32 10.101 -0.203 6.165 200 H LYS 33 H LYS 33 10.452 -3.686 4.504 201 HA LYS 33 HA LYS 33 12.215 -5.842 4.160 202 HB3 LYS 33 HB3 LYS 33 9.921 -6.978 3.426 203 HG3 LYS 33 HG3 LYS 33 11.236 -6.734 5.826 204 HD3 LYS 33 HD3 LYS 33 8.424 -5.702 6.069 205 HE3 LYS 33 HE3 LYS 33 8.847 -6.018 8.571 206 HZ1 LYS 33 HZ1 LYS 33 7.350 -7.413 7.014 207 HZ2 LYS 33 HZ2 LYS 33 7.688 -7.987 8.568 208 HZ3 LYS 33 HZ3 LYS 33 8.517 -8.618 7.236 209 H LYS 34 H LYS 34 10.085 -4.192 1.851 210 HA LYS 34 HA LYS 34 11.829 -4.991 -0.324 211 HB3 LYS 34 HB3 LYS 34 9.124 -5.498 -1.176 212 HG3 LYS 34 HG3 LYS 34 11.711 -6.597 -1.552 213 HD3 LYS 34 HD3 LYS 34 9.623 -8.705 -1.023 214 HE3 LYS 34 HE3 LYS 34 12.442 -9.435 -1.030 215 HZ1 LYS 34 HZ1 LYS 34 10.193 -10.769 -1.319 216 HZ2 LYS 34 HZ2 LYS 34 11.651 -11.310 -1.986 217 HZ3 LYS 34 HZ3 LYS 34 10.527 -10.500 -2.955 218 H GLY 35 H GLY 35 12.240 -3.062 -1.196 219 HA2 GLY 35 HA2 GLY 35 10.984 -1.547 -2.853 220 HA3 GLY 35 HA3 GLY 35 10.033 -1.127 -1.436 221 H TRP 36 H TRP 36 10.566 0.849 -0.799 222 HA TRP 36 HA TRP 36 11.787 2.646 -0.131 223 HB3 TRP 36 HB3 TRP 36 14.253 0.967 0.112 224 HD1 TRP 36 HD1 TRP 36 15.557 3.291 0.418 225 HE1 TRP 36 HE1 TRP 36 15.675 4.941 2.390 226 HE3 TRP 36 HE3 TRP 36 11.521 1.650 3.093 227 HZ2 TRP 36 HZ2 TRP 36 14.247 5.476 4.765 228 HZ3 TRP 36 HZ3 TRP 36 10.965 2.784 5.205 229 HH2 TRP 36 HH2 TRP 36 12.302 4.657 6.022 Start of MODEL 2 1 H1 ASP 1 H1 ASP 1 -11.468 -9.772 0.010 2 HA ASP 1 HA ASP 1 -9.137 -10.651 -0.742 3 HB3 ASP 1 HB3 ASP 1 -11.017 -12.486 -2.237 4 H PHE 2 H PHE 2 -10.169 -8.334 -1.138 5 HA PHE 2 HA PHE 2 -11.282 -7.973 -3.770 6 HB3 PHE 2 HB3 PHE 2 -10.529 -5.468 -2.947 7 HD1 PHE 2 HD2 PHE 2 -12.996 -7.889 -1.529 8 HD2 PHE 2 HD1 PHE 2 -12.334 -4.261 -3.654 9 HE1 PHE 2 HE2 PHE 2 -15.427 -7.560 -1.719 10 HE2 PHE 2 HE1 PHE 2 -14.764 -3.927 -3.846 11 HZ PHE 2 HZ PHE 2 -16.314 -5.578 -2.880 12 HA PRO 3 HA PRO 3 -7.635 -7.335 -6.121 13 HB3 PRO 3 HB3 PRO 3 -8.987 -6.880 -7.922 14 HG3 PRO 3 HG3 PRO 3 -10.955 -5.669 -7.669 15 HD3 PRO 3 HD3 PRO 3 -11.232 -7.229 -5.995 16 H LEU 4 H LEU 4 -5.793 -6.547 -5.330 17 HA LEU 4 HA LEU 4 -5.362 -3.716 -5.128 18 HB3 LEU 4 HB3 LEU 4 -6.468 -4.535 -2.936 19 HG LEU 4 HG LEU 4 -3.631 -5.266 -2.237 20 HD11 LEU 4 HD11 LEU 4 -5.066 -6.201 -0.233 21 HD12 LEU 4 HD12 LEU 4 -6.182 -4.938 -0.750 22 HD13 LEU 4 HD13 LEU 4 -4.534 -4.520 -0.280 23 HD21 LEU 4 HD21 LEU 4 -4.871 -7.546 -1.817 24 HD22 LEU 4 HD22 LEU 4 -4.207 -7.150 -3.401 25 HD23 LEU 4 HD23 LEU 4 -5.932 -6.949 -3.094 26 H SER 5 H SER 5 -3.068 -3.318 -4.190 27 HA SER 5 HA SER 5 -1.276 -5.520 -4.955 28 HB3 SER 5 HB3 SER 5 0.233 -3.668 -5.926 29 HG SER 5 HG SER 5 -2.082 -4.747 -7.041 30 H LYS 6 H LYS 6 1.129 -4.561 -4.447 31 HA LYS 6 HA LYS 6 1.014 -3.566 -1.674 32 HB3 LYS 6 HB3 LYS 6 1.596 -5.972 -1.794 33 HG3 LYS 6 HG3 LYS 6 4.139 -5.096 -3.141 34 HD3 LYS 6 HD3 LYS 6 3.173 -7.559 -1.867 35 HE3 LYS 6 HE3 LYS 6 3.402 -7.670 -4.619 36 HZ1 LYS 6 HZ1 LYS 6 5.659 -9.276 -3.897 37 HZ2 LYS 6 HZ2 LYS 6 5.976 -7.621 -3.741 38 HZ3 LYS 6 HZ3 LYS 6 5.449 -8.246 -5.222 39 H GLU 7 H GLU 7 3.656 -3.197 -1.169 40 HA GLU 7 HA GLU 7 5.268 -1.598 -1.355 41 HB3 GLU 7 HB3 GLU 7 5.551 -1.407 -4.182 42 HG3 GLU 7 HG3 GLU 7 7.344 -1.514 -2.399 43 H TYR 8 H TYR 8 5.875 0.398 -3.037 44 HA TYR 8 HA TYR 8 4.045 2.398 -2.432 45 HB3 TYR 8 HB3 TYR 8 6.397 2.834 -3.002 46 HD1 TYR 8 HD1 TYR 8 7.541 0.874 -4.023 47 HD2 TYR 8 HD2 TYR 8 5.241 3.596 -6.348 48 HE1 TYR 8 HE1 TYR 8 8.622 0.033 -6.066 49 HE2 TYR 8 HE2 TYR 8 6.315 2.761 -8.398 50 HH TYR 8 HH TYR 8 7.466 0.696 -9.163 51 H GLU 9 H GLU 9 2.149 2.965 -3.261 52 HA GLU 9 HA GLU 9 1.516 3.012 -5.993 53 HB3 GLU 9 HB3 GLU 9 0.496 0.616 -4.470 54 HG3 GLU 9 HG3 GLU 9 -0.690 2.022 -6.760 55 H THR 10 H THR 10 -0.524 1.900 -3.307 56 HA THR 10 HA THR 10 -1.536 4.397 -2.551 57 HB THR 10 HB THR 10 -3.921 3.590 -3.706 58 HG1 THR 10 HG1 THR 10 -3.332 3.400 -5.952 59 HG21 THR 10 HG21 THR 10 -2.882 5.528 -5.413 60 HG22 THR 10 HG22 THR 10 -2.058 5.800 -3.878 61 HG23 THR 10 HG23 THR 10 -3.821 5.808 -3.947 62 H CYS 11 H CYS 11 -2.293 4.054 -0.574 63 HA CYS 11 HA CYS 11 -2.874 1.420 0.367 64 HB3 CYS 11 HB3 CYS 11 -3.165 2.426 2.517 65 H VAL 12 H VAL 12 -4.887 4.368 0.418 66 HA VAL 12 HA VAL 12 -7.127 4.685 0.159 67 HB VAL 12 HB VAL 12 -7.441 1.961 -1.044 68 HG11 VAL 12 HG11 VAL 12 -8.966 4.382 -0.881 69 HG12 VAL 12 HG12 VAL 12 -8.649 3.985 -2.571 70 HG13 VAL 12 HG13 VAL 12 -9.438 2.808 -1.520 71 HG21 VAL 12 HG21 VAL 12 -5.856 4.239 -2.135 72 HG22 VAL 12 HG22 VAL 12 -5.559 2.504 -2.244 73 HG23 VAL 12 HG23 VAL 12 -6.809 3.248 -3.240 74 H ARG 13 H ARG 13 -9.144 4.142 1.112 75 HA ARG 13 HA ARG 13 -8.904 2.729 3.570 76 HB3 ARG 13 HB3 ARG 13 -11.626 3.101 3.106 77 HG3 ARG 13 HG3 ARG 13 -9.759 5.142 4.289 78 HD3 ARG 13 HD3 ARG 13 -12.328 4.695 5.559 79 HE ARG 13 HE ARG 13 -11.612 6.795 6.094 80 HH11 ARG 13 HH11 ARG 13 -11.334 6.356 2.652 81 HH12 ARG 13 HH12 ARG 13 -10.903 8.006 2.345 82 HH21 ARG 13 HH22 ARG 13 -11.046 8.970 5.702 83 HH22 ARG 13 HH21 ARG 13 -10.739 9.492 4.081 84 HA PRO 14 HA PRO 14 -11.923 -0.465 1.589 85 HB3 PRO 14 HB3 PRO 14 -13.438 0.592 0.221 86 HG3 PRO 14 HG3 PRO 14 -12.826 2.450 -1.036 87 HD3 PRO 14 HD3 PRO 14 -12.034 3.092 1.032 88 H ARG 15 H ARG 15 -9.300 0.789 -0.378 89 HA ARG 15 HA ARG 15 -8.636 -1.913 -1.297 90 HB3 ARG 15 HB3 ARG 15 -6.772 -0.117 -2.354 91 HG3 ARG 15 HG3 ARG 15 -8.632 -1.947 -3.332 92 HD3 ARG 15 HD3 ARG 15 -10.174 -0.062 -3.725 93 HE ARG 15 HE ARG 15 -9.217 1.874 -4.449 94 HH11 ARG 15 HH11 ARG 15 -7.740 -0.787 -6.140 95 HH12 ARG 15 HH12 ARG 15 -6.783 0.227 -7.167 96 HH21 ARG 15 HH22 ARG 15 -7.960 3.220 -5.795 97 HH22 ARG 15 HH21 ARG 15 -6.907 2.506 -6.970 98 H LYS 16 H LYS 16 -8.259 -1.048 1.473 99 HA LYS 16 HA LYS 16 -5.727 -0.306 2.199 100 HB3 LYS 16 HB3 LYS 16 -6.322 -2.331 4.004 101 HG3 LYS 16 HG3 LYS 16 -7.481 0.443 4.111 102 HD3 LYS 16 HD3 LYS 16 -6.574 -1.469 6.265 103 HE3 LYS 16 HE3 LYS 16 -8.161 0.623 7.281 104 HZ1 LYS 16 HZ1 LYS 16 -5.425 -0.331 7.587 105 HZ2 LYS 16 HZ2 LYS 16 -6.624 -0.088 8.754 106 HZ3 LYS 16 HZ3 LYS 16 -5.750 1.229 8.155 107 H CYS 17 H CYS 17 -3.737 -1.145 2.084 108 HA CYS 17 HA CYS 17 -3.057 -3.235 0.425 109 HB3 CYS 17 HB3 CYS 17 -0.845 -3.170 1.448 110 H GLN 18 H GLN 18 -3.013 -5.391 0.570 111 HA GLN 18 HA GLN 18 -4.239 -6.709 2.762 112 HB3 GLN 18 HB3 GLN 18 -2.816 -8.616 1.248 113 HG3 GLN 18 HG3 GLN 18 -5.035 -9.034 0.171 114 HE21 GLN 18 HE22 GLN 18 -6.534 -8.058 2.962 115 HE22 GLN 18 HE21 GLN 18 -6.266 -9.467 3.926 116 HA PRO 19 HA PRO 19 0.182 -8.410 3.702 117 HB3 PRO 19 HB3 PRO 19 1.390 -8.656 1.763 118 HG3 PRO 19 HG3 PRO 19 1.126 -7.175 -0.011 119 HD3 PRO 19 HD3 PRO 19 -1.082 -7.692 0.406 120 HA PRO 20 HA PRO 20 1.382 -5.325 6.595 121 HB3 PRO 20 HB3 PRO 20 2.567 -6.944 7.714 122 HG3 PRO 20 HG3 PRO 20 3.762 -8.569 6.558 123 HD3 PRO 20 HD3 PRO 20 1.730 -8.733 5.485 124 H LEU 21 H LEU 21 1.313 -3.434 5.338 125 HA LEU 21 HA LEU 21 3.943 -2.500 4.394 126 HB3 LEU 21 HB3 LEU 21 2.558 -1.038 2.814 127 HG LEU 21 HG LEU 21 2.531 -4.009 2.283 128 HD11 LEU 21 HD11 LEU 21 2.125 -3.529 0.025 129 HD12 LEU 21 HD12 LEU 21 2.431 -1.807 0.245 130 HD13 LEU 21 HD13 LEU 21 0.970 -2.534 0.912 131 HD21 LEU 21 HD21 LEU 21 4.711 -3.854 1.902 132 HD22 LEU 21 HD22 LEU 21 4.675 -2.206 2.527 133 HD23 LEU 21 HD23 LEU 21 4.461 -2.499 0.801 134 H LYS 22 H LYS 22 4.052 -0.060 4.291 135 HA LYS 22 HA LYS 22 2.470 1.194 6.426 136 HB3 LYS 22 HB3 LYS 22 4.494 2.321 7.261 137 HG3 LYS 22 HG3 LYS 22 4.114 -0.560 7.417 138 HD3 LYS 22 HD3 LYS 22 6.815 0.470 7.215 139 HE3 LYS 22 HE3 LYS 22 5.917 -0.750 9.809 140 HZ1 LYS 22 HZ1 LYS 22 8.728 -0.567 9.595 141 HZ2 LYS 22 HZ2 LYS 22 8.136 -1.585 8.379 142 HZ3 LYS 22 HZ3 LYS 22 7.779 -1.907 10.000 143 H CYS 23 H CYS 23 1.545 3.012 5.763 144 HA CYS 23 HA CYS 23 2.286 4.175 3.224 145 HB3 CYS 23 HB3 CYS 23 0.314 5.537 3.467 146 H ASN 24 H ASN 24 1.807 6.832 3.507 147 HA ASN 24 HA ASN 24 3.755 7.765 5.502 148 HB3 ASN 24 HB3 ASN 24 5.152 7.953 3.698 149 HD21 ASN 24 HD22 ASN 24 5.587 7.475 1.635 150 HD22 ASN 24 HD21 ASN 24 4.397 7.266 0.400 151 H LYS 25 H LYS 25 1.395 8.889 3.077 152 HA LYS 25 HA LYS 25 -0.262 10.211 4.893 153 HB3 LYS 25 HB3 LYS 25 0.691 12.533 3.628 154 HG3 LYS 25 HG3 LYS 25 1.758 12.339 6.272 155 HD3 LYS 25 HD3 LYS 25 -0.307 13.874 4.797 156 HE3 LYS 25 HE3 LYS 25 -0.531 13.194 7.621 157 HZ1 LYS 25 HZ1 LYS 25 -0.623 15.238 8.560 158 HZ2 LYS 25 HZ2 LYS 25 -1.029 16.026 7.119 159 HZ3 LYS 25 HZ3 LYS 25 0.572 15.568 7.409 160 H ALA 26 H ALA 26 1.100 10.255 1.638 161 HA ALA 26 HA ALA 26 -1.475 11.082 0.528 162 HB1 ALA 26 HB1 ALA 26 -0.051 10.936 -1.656 163 HB2 ALA 26 HB2 ALA 26 0.163 12.289 -0.544 164 HB3 ALA 26 HB3 ALA 26 1.310 10.948 -0.533 165 H GLN 27 H GLN 27 -0.865 8.383 1.729 166 HA GLN 27 HA GLN 27 -1.361 6.197 1.344 167 HB3 GLN 27 HB3 GLN 27 -3.174 5.717 -0.104 168 HG3 GLN 27 HG3 GLN 27 -4.777 7.565 0.179 169 HE21 GLN 27 HE22 GLN 27 -3.044 8.617 2.841 170 HE22 GLN 27 HE21 GLN 27 -3.628 7.477 4.001 171 H ILE 28 H ILE 28 0.625 5.345 0.876 172 HA ILE 28 HA ILE 28 1.168 4.882 -1.971 173 HB ILE 28 HB ILE 28 3.245 5.698 0.065 174 HG13 ILE 28 HG13 ILE 28 3.565 7.656 -1.366 175 HG21 ILE 28 HG21 ILE 28 4.310 4.120 -1.289 176 HG22 ILE 28 HG22 ILE 28 3.468 4.663 -2.740 177 HG23 ILE 28 HG23 ILE 28 4.727 5.668 -2.023 178 HD11 ILE 28 HD11 ILE 28 2.040 6.187 -3.263 179 HD12 ILE 28 HD12 ILE 28 1.196 7.690 -2.889 180 HD13 ILE 28 HD13 ILE 28 2.866 7.733 -3.457 181 H CYS 29 H CYS 29 1.774 3.941 1.380 182 HA CYS 29 HA CYS 29 2.080 1.905 2.351 183 HB3 CYS 29 HB3 CYS 29 1.674 0.037 0.276 184 H VAL 30 H VAL 30 4.073 1.313 2.857 185 HA VAL 30 HA VAL 30 5.762 -0.097 1.060 186 HB VAL 30 HB VAL 30 7.618 1.822 1.559 187 HG11 VAL 30 HG11 VAL 30 6.710 0.579 -0.602 188 HG12 VAL 30 HG12 VAL 30 6.008 2.169 -0.909 189 HG13 VAL 30 HG13 VAL 30 7.752 1.999 -0.706 190 HG21 VAL 30 HG21 VAL 30 6.763 3.990 1.210 191 HG22 VAL 30 HG22 VAL 30 5.173 3.376 0.758 192 HG23 VAL 30 HG23 VAL 30 5.717 3.268 2.432 193 H ASP 31 H ASP 31 8.131 -0.107 2.116 194 HA ASP 31 HA ASP 31 8.394 0.259 4.885 195 HB3 ASP 31 HB3 ASP 31 6.920 -1.432 5.439 196 HA PRO 32 HA PRO 32 12.590 -0.571 3.921 197 HB3 PRO 32 HB3 PRO 32 13.118 0.158 6.036 198 HG3 PRO 32 HG3 PRO 32 11.759 -0.351 7.854 199 HD3 PRO 32 HD3 PRO 32 10.174 0.456 6.387 200 H LYS 33 H LYS 33 10.516 -3.126 4.883 201 HA LYS 33 HA LYS 33 12.282 -5.309 4.832 202 HB3 LYS 33 HB3 LYS 33 9.643 -5.928 3.765 203 HG3 LYS 33 HG3 LYS 33 10.005 -6.686 6.501 204 HD3 LYS 33 HD3 LYS 33 10.190 -8.316 3.967 205 HE3 LYS 33 HE3 LYS 33 10.818 -9.261 6.319 206 HZ1 LYS 33 HZ1 LYS 33 8.806 -10.218 7.387 207 HZ2 LYS 33 HZ2 LYS 33 7.855 -9.196 6.432 208 HZ3 LYS 33 HZ3 LYS 33 8.937 -8.539 7.554 209 H LYS 34 H LYS 34 10.375 -3.787 2.260 210 HA LYS 34 HA LYS 34 12.250 -4.769 0.283 211 HB3 LYS 34 HB3 LYS 34 9.478 -5.309 -0.535 212 HG3 LYS 34 HG3 LYS 34 11.334 -7.528 -0.610 213 HD3 LYS 34 HD3 LYS 34 10.876 -7.018 -3.149 214 HE3 LYS 34 HE3 LYS 34 9.813 -8.738 -1.415 215 HZ1 LYS 34 HZ1 LYS 34 7.364 -8.507 -1.572 216 HZ2 LYS 34 HZ2 LYS 34 7.577 -6.931 -2.148 217 HZ3 LYS 34 HZ3 LYS 34 8.093 -7.338 -0.589 218 H GLY 35 H GLY 35 12.567 -3.266 -1.238 219 HA2 GLY 35 HA2 GLY 35 11.989 -1.601 -2.778 220 HA3 GLY 35 HA3 GLY 35 10.404 -1.486 -2.026 221 H TRP 36 H TRP 36 11.924 0.748 -2.765 222 HA TRP 36 HA TRP 36 12.231 2.004 -0.146 223 HB3 TRP 36 HB3 TRP 36 14.501 1.398 -0.691 224 HD1 TRP 36 HD1 TRP 36 14.030 3.981 -3.537 225 HE1 TRP 36 HE1 TRP 36 15.143 3.040 -5.657 226 HE3 TRP 36 HE3 TRP 36 15.384 -0.621 -1.768 227 HZ2 TRP 36 HZ2 TRP 36 16.426 0.660 -6.473 228 HZ3 TRP 36 HZ3 TRP 36 16.550 -2.170 -3.282 229 HH2 TRP 36 HH2 TRP 36 17.059 -1.541 -5.585 Start of MODEL 3 1 H1 ASP 1 H1 ASP 1 -12.250 -10.218 0.685 2 HA ASP 1 HA ASP 1 -9.855 -10.556 0.702 3 HB3 ASP 1 HB3 ASP 1 -8.935 -12.277 -0.889 4 H PHE 2 H PHE 2 -9.168 -8.769 -0.254 5 HA PHE 2 HA PHE 2 -10.110 -8.121 -2.949 6 HB3 PHE 2 HB3 PHE 2 -8.808 -5.905 -2.290 7 HD1 PHE 2 HD1 PHE 2 -11.173 -6.386 -3.719 8 HD2 PHE 2 HD2 PHE 2 -10.753 -5.479 0.419 9 HE1 PHE 2 HE1 PHE 2 -13.459 -5.476 -3.689 10 HE2 PHE 2 HE2 PHE 2 -13.038 -4.568 0.455 11 HZ PHE 2 HZ PHE 2 -14.395 -4.566 -1.601 12 HA PRO 3 HA PRO 3 -6.278 -8.860 -4.950 13 HB3 PRO 3 HB3 PRO 3 -7.254 -8.107 -6.889 14 HG3 PRO 3 HG3 PRO 3 -8.725 -6.307 -6.870 15 HD3 PRO 3 HD3 PRO 3 -9.637 -7.582 -5.181 16 H LEU 4 H LEU 4 -6.736 -5.682 -3.526 17 HA LEU 4 HA LEU 4 -5.283 -4.127 -2.701 18 HB3 LEU 4 HB3 LEU 4 -5.012 -6.267 -1.259 19 HG LEU 4 HG LEU 4 -2.752 -6.629 -2.999 20 HD11 LEU 4 HD11 LEU 4 -2.183 -5.672 -0.274 21 HD12 LEU 4 HD12 LEU 4 -1.176 -5.655 -1.720 22 HD13 LEU 4 HD13 LEU 4 -1.328 -7.133 -0.770 23 HD21 LEU 4 HD21 LEU 4 -2.613 -8.625 -1.212 24 HD22 LEU 4 HD22 LEU 4 -3.772 -8.593 -2.542 25 HD23 LEU 4 HD23 LEU 4 -4.269 -8.087 -0.927 26 H SER 5 H SER 5 -2.569 -3.940 -2.489 27 HA SER 5 HA SER 5 -1.182 -4.633 -4.871 28 HB3 SER 5 HB3 SER 5 -1.849 -2.981 -6.233 29 HG SER 5 HG SER 5 -3.096 -1.825 -3.960 30 H LYS 6 H LYS 6 0.875 -4.771 -4.294 31 HA LYS 6 HA LYS 6 1.796 -3.600 -1.835 32 HB3 LYS 6 HB3 LYS 6 3.942 -4.730 -2.405 33 HG3 LYS 6 HG3 LYS 6 1.567 -5.960 -1.688 34 HD3 LYS 6 HD3 LYS 6 1.559 -6.814 -4.093 35 HE3 LYS 6 HE3 LYS 6 3.336 -9.003 -3.419 36 HZ1 LYS 6 HZ1 LYS 6 2.371 -7.796 -5.668 37 HZ2 LYS 6 HZ2 LYS 6 3.528 -9.029 -5.618 38 HZ3 LYS 6 HZ3 LYS 6 4.018 -7.412 -5.691 39 H GLU 7 H GLU 7 3.730 -2.283 -1.659 40 HA GLU 7 HA GLU 7 4.987 -0.449 -2.139 41 HB3 GLU 7 HB3 GLU 7 4.825 -0.527 -5.040 42 HG3 GLU 7 HG3 GLU 7 7.071 -1.047 -3.106 43 H TYR 8 H TYR 8 4.909 1.486 -4.041 44 HA TYR 8 HA TYR 8 2.820 3.115 -3.287 45 HB3 TYR 8 HB3 TYR 8 4.833 3.959 -4.389 46 HD1 TYR 8 HD1 TYR 8 6.178 2.089 -5.381 47 HD2 TYR 8 HD2 TYR 8 3.013 3.979 -7.504 48 HE1 TYR 8 HE1 TYR 8 7.061 1.185 -7.491 49 HE2 TYR 8 HE2 TYR 8 3.885 3.079 -9.620 50 HH TYR 8 HH TYR 8 6.949 1.363 -9.761 51 H GLU 9 H GLU 9 0.710 3.012 -3.625 52 HA GLU 9 HA GLU 9 -0.480 2.672 -6.149 53 HB3 GLU 9 HB3 GLU 9 -1.324 0.343 -4.564 54 HG3 GLU 9 HG3 GLU 9 -1.433 1.157 -7.245 55 H THR 10 H THR 10 -0.605 4.316 -3.747 56 HA THR 10 HA THR 10 -2.110 5.322 -2.357 57 HB THR 10 HB THR 10 -4.347 4.422 -4.127 58 HG1 THR 10 HG1 THR 10 -2.347 6.324 -4.852 59 HG21 THR 10 HG21 THR 10 -4.365 6.121 -2.106 60 HG22 THR 10 HG22 THR 10 -5.330 6.414 -3.552 61 HG23 THR 10 HG23 THR 10 -3.786 7.240 -3.339 62 H CYS 11 H CYS 11 -1.923 3.943 -0.575 63 HA CYS 11 HA CYS 11 -3.521 1.567 -0.348 64 HB3 CYS 11 HB3 CYS 11 -1.398 1.645 0.801 65 H VAL 12 H VAL 12 -5.409 3.178 -0.987 66 HA VAL 12 HA VAL 12 -6.553 4.669 1.177 67 HB VAL 12 HB VAL 12 -8.546 4.850 -0.303 68 HG11 VAL 12 HG11 VAL 12 -5.874 5.815 -0.813 69 HG12 VAL 12 HG12 VAL 12 -6.811 5.712 -2.306 70 HG13 VAL 12 HG13 VAL 12 -7.417 6.657 -0.945 71 HG21 VAL 12 HG21 VAL 12 -7.868 2.534 -1.383 72 HG22 VAL 12 HG22 VAL 12 -8.766 3.749 -2.293 73 HG23 VAL 12 HG23 VAL 12 -7.025 3.583 -2.522 74 H ARG 13 H ARG 13 -9.118 4.140 1.400 75 HA ARG 13 HA ARG 13 -9.332 2.030 3.156 76 HB3 ARG 13 HB3 ARG 13 -11.888 2.228 2.144 77 HG3 ARG 13 HG3 ARG 13 -10.524 4.017 4.143 78 HD3 ARG 13 HD3 ARG 13 -13.157 3.919 4.842 79 HE ARG 13 HE ARG 13 -11.454 5.949 3.852 80 HH11 ARG 13 HH11 ARG 13 -14.811 5.218 4.408 81 HH12 ARG 13 HH12 ARG 13 -15.273 6.875 4.611 82 HH21 ARG 13 HH22 ARG 13 -12.050 8.135 4.115 83 HH22 ARG 13 HH21 ARG 13 -13.702 8.534 4.442 84 HA PRO 14 HA PRO 14 -11.206 -0.744 -0.323 85 HB3 PRO 14 HB3 PRO 14 -12.417 0.522 -1.810 86 HG3 PRO 14 HG3 PRO 14 -11.759 2.686 -2.354 87 HD3 PRO 14 HD3 PRO 14 -11.683 2.815 -0.055 88 H ARG 15 H ARG 15 -8.249 0.896 -0.402 89 HA ARG 15 HA ARG 15 -6.993 -1.297 -1.918 90 HB3 ARG 15 HB3 ARG 15 -5.589 1.303 -1.487 91 HG3 ARG 15 HG3 ARG 15 -4.980 -0.967 -2.919 92 HD3 ARG 15 HD3 ARG 15 -6.623 -0.388 -4.633 93 HE ARG 15 HE ARG 15 -5.705 2.254 -4.344 94 HH11 ARG 15 HH11 ARG 15 -6.668 -0.010 -6.808 95 HH12 ARG 15 HH12 ARG 15 -7.213 1.216 -7.905 96 HH21 ARG 15 HH22 ARG 15 -6.420 3.877 -5.779 97 HH22 ARG 15 HH21 ARG 15 -7.071 3.426 -7.318 98 H LYS 16 H LYS 16 -7.675 -1.099 0.978 99 HA LYS 16 HA LYS 16 -5.524 -0.578 2.620 100 HB3 LYS 16 HB3 LYS 16 -7.242 -2.996 3.084 101 HG3 LYS 16 HG3 LYS 16 -6.368 -0.779 4.927 102 HD3 LYS 16 HD3 LYS 16 -7.778 -3.398 5.445 103 HE3 LYS 16 HE3 LYS 16 -6.593 -1.338 7.286 104 HZ1 LYS 16 HZ1 LYS 16 -9.064 -2.345 7.667 105 HZ2 LYS 16 HZ2 LYS 16 -8.032 -1.825 8.903 106 HZ3 LYS 16 HZ3 LYS 16 -8.107 -3.465 8.500 107 H CYS 17 H CYS 17 -3.534 -1.364 2.747 108 HA CYS 17 HA CYS 17 -2.572 -3.428 1.111 109 HB3 CYS 17 HB3 CYS 17 -0.608 -3.328 2.868 110 H GLN 18 H GLN 18 -3.329 -5.448 1.276 111 HA GLN 18 HA GLN 18 -4.390 -6.711 3.482 112 HB3 GLN 18 HB3 GLN 18 -3.250 -8.807 2.156 113 HG3 GLN 18 HG3 GLN 18 -5.271 -8.792 0.675 114 HE21 GLN 18 HE22 GLN 18 -7.612 -8.837 1.790 115 HE22 GLN 18 HE21 GLN 18 -7.609 -9.630 3.325 116 HA PRO 19 HA PRO 19 -0.084 -8.634 4.515 117 HB3 PRO 19 HB3 PRO 19 1.123 -9.006 2.597 118 HG3 PRO 19 HG3 PRO 19 0.964 -7.561 0.780 119 HD3 PRO 19 HD3 PRO 19 -1.273 -7.933 1.189 120 HA PRO 20 HA PRO 20 1.286 -5.549 7.333 121 HB3 PRO 20 HB3 PRO 20 2.385 -7.201 8.492 122 HG3 PRO 20 HG3 PRO 20 3.494 -8.914 7.377 123 HD3 PRO 20 HD3 PRO 20 1.456 -8.997 6.305 124 H LEU 21 H LEU 21 1.257 -3.813 5.756 125 HA LEU 21 HA LEU 21 3.945 -3.014 4.852 126 HB3 LEU 21 HB3 LEU 21 2.431 -1.431 3.374 127 HG LEU 21 HG LEU 21 2.192 -3.218 1.597 128 HD11 LEU 21 HD11 LEU 21 4.325 -1.738 2.385 129 HD12 LEU 21 HD12 LEU 21 4.287 -2.758 0.946 130 HD13 LEU 21 HD13 LEU 21 4.997 -3.369 2.442 131 HD21 LEU 21 HD21 LEU 21 2.021 -5.104 3.221 132 HD22 LEU 21 HD22 LEU 21 3.732 -4.881 3.583 133 HD23 LEU 21 HD23 LEU 21 3.229 -5.345 1.958 134 H LYS 22 H LYS 22 3.868 -0.455 4.461 135 HA LYS 22 HA LYS 22 2.558 0.890 6.695 136 HB3 LYS 22 HB3 LYS 22 5.514 1.261 6.252 137 HG3 LYS 22 HG3 LYS 22 4.308 1.592 8.911 138 HD3 LYS 22 HD3 LYS 22 5.697 3.842 8.370 139 HE3 LYS 22 HE3 LYS 22 7.154 1.296 9.006 140 HZ1 LYS 22 HZ1 LYS 22 7.586 4.110 9.423 141 HZ2 LYS 22 HZ2 LYS 22 8.693 2.830 9.444 142 HZ3 LYS 22 HZ3 LYS 22 7.786 3.188 10.826 143 H CYS 23 H CYS 23 1.612 2.644 5.913 144 HA CYS 23 HA CYS 23 2.438 3.745 3.364 145 HB3 CYS 23 HB3 CYS 23 0.432 5.122 3.535 146 H ASN 24 H ASN 24 1.863 6.399 3.576 147 HA ASN 24 HA ASN 24 3.747 7.408 5.600 148 HB3 ASN 24 HB3 ASN 24 4.435 9.108 3.814 149 HD21 ASN 24 HD22 ASN 24 5.089 6.919 1.593 150 HD22 ASN 24 HD21 ASN 24 6.495 6.170 2.263 151 H LYS 25 H LYS 25 1.818 8.953 3.045 152 HA LYS 25 HA LYS 25 -0.113 10.006 4.875 153 HB3 LYS 25 HB3 LYS 25 1.486 11.587 5.533 154 HG3 LYS 25 HG3 LYS 25 2.591 11.206 2.895 155 HD3 LYS 25 HD3 LYS 25 3.487 13.684 3.014 156 HE3 LYS 25 HE3 LYS 25 0.806 12.957 1.837 157 HZ1 LYS 25 HZ1 LYS 25 2.278 14.752 0.273 158 HZ2 LYS 25 HZ2 LYS 25 2.173 15.395 1.835 159 HZ3 LYS 25 HZ3 LYS 25 0.764 14.987 0.992 160 H ALA 26 H ALA 26 1.431 10.207 1.711 161 HA ALA 26 HA ALA 26 -1.037 11.169 0.490 162 HB1 ALA 26 HB1 ALA 26 1.772 10.816 -0.485 163 HB2 ALA 26 HB2 ALA 26 0.441 11.039 -1.621 164 HB3 ALA 26 HB3 ALA 26 0.790 12.279 -0.417 165 H GLN 27 H GLN 27 -0.536 8.379 1.643 166 HA GLN 27 HA GLN 27 -1.217 6.256 1.193 167 HB3 GLN 27 HB3 GLN 27 -2.897 5.905 -0.483 168 HG3 GLN 27 HG3 GLN 27 -3.097 8.064 1.339 169 HE21 GLN 27 HE22 GLN 27 -5.869 8.691 0.592 170 HE22 GLN 27 HE21 GLN 27 -5.763 9.974 -0.559 171 H ILE 28 H ILE 28 0.750 5.295 0.871 172 HA ILE 28 HA ILE 28 1.454 4.766 -1.924 173 HB ILE 28 HB ILE 28 3.510 5.476 0.170 174 HG13 ILE 28 HG13 ILE 28 3.850 7.545 -1.050 175 HG21 ILE 28 HG21 ILE 28 3.814 5.000 -2.792 176 HG22 ILE 28 HG22 ILE 28 5.103 5.382 -1.651 177 HG23 ILE 28 HG23 ILE 28 4.243 3.848 -1.528 178 HD11 ILE 28 HD11 ILE 28 1.697 7.954 -2.669 179 HD12 ILE 28 HD12 ILE 28 3.332 7.582 -3.215 180 HD13 ILE 28 HD13 ILE 28 2.142 6.291 -3.050 181 H CYS 29 H CYS 29 2.063 3.942 1.476 182 HA CYS 29 HA CYS 29 2.286 1.937 2.530 183 HB3 CYS 29 HB3 CYS 29 1.698 0.097 0.393 184 H VAL 30 H VAL 30 4.129 0.928 2.995 185 HA VAL 30 HA VAL 30 5.744 -0.369 1.028 186 HB VAL 30 HB VAL 30 7.769 1.182 1.891 187 HG11 VAL 30 HG11 VAL 30 7.945 1.886 -0.283 188 HG12 VAL 30 HG12 VAL 30 6.806 0.551 -0.476 189 HG13 VAL 30 HG13 VAL 30 6.219 2.215 -0.432 190 HG21 VAL 30 HG21 VAL 30 7.131 3.514 1.867 191 HG22 VAL 30 HG22 VAL 30 5.444 3.080 1.592 192 HG23 VAL 30 HG23 VAL 30 6.222 2.669 3.120 193 H ASP 31 H ASP 31 7.981 -0.937 2.112 194 HA ASP 31 HA ASP 31 8.288 -1.029 4.873 195 HB3 ASP 31 HB3 ASP 31 7.677 -3.762 4.592 196 HA PRO 32 HA PRO 32 12.172 -2.699 3.712 197 HB3 PRO 32 HB3 PRO 32 12.851 -2.380 5.884 198 HG3 PRO 32 HG3 PRO 32 11.406 -2.777 7.662 199 HD3 PRO 32 HD3 PRO 32 10.060 -1.447 6.346 200 H LYS 33 H LYS 33 9.826 -5.018 4.968 201 HA LYS 33 HA LYS 33 11.064 -7.400 4.274 202 HB3 LYS 33 HB3 LYS 33 8.426 -7.944 3.784 203 HG3 LYS 33 HG3 LYS 33 9.084 -7.594 6.639 204 HD3 LYS 33 HD3 LYS 33 8.371 -10.088 5.118 205 HE3 LYS 33 HE3 LYS 33 7.406 -10.775 7.232 206 HZ1 LYS 33 HZ1 LYS 33 10.106 -10.430 6.810 207 HZ2 LYS 33 HZ2 LYS 33 9.377 -11.472 7.926 208 HZ3 LYS 33 HZ3 LYS 33 9.845 -9.917 8.402 209 H LYS 34 H LYS 34 8.747 -5.516 2.327 210 HA LYS 34 HA LYS 34 10.093 -6.407 -0.096 211 HB3 LYS 34 HB3 LYS 34 7.106 -6.662 0.005 212 HG3 LYS 34 HG3 LYS 34 8.899 -6.957 -2.043 213 HD3 LYS 34 HD3 LYS 34 8.438 -9.592 -0.707 214 HE3 LYS 34 HE3 LYS 34 9.298 -9.697 -3.511 215 HZ1 LYS 34 HZ1 LYS 34 7.787 -11.623 -3.472 216 HZ2 LYS 34 HZ2 LYS 34 7.375 -11.255 -1.873 217 HZ3 LYS 34 HZ3 LYS 34 8.962 -11.693 -2.258 218 H GLY 35 H GLY 35 10.678 -4.378 -0.697 219 HA2 GLY 35 HA2 GLY 35 8.944 -2.739 -2.088 220 HA3 GLY 35 HA3 GLY 35 8.973 -2.107 -0.449 221 H TRP 36 H TRP 36 9.785 -0.371 -2.221 222 HA TRP 36 HA TRP 36 11.490 0.962 -2.924 223 HB3 TRP 36 HB3 TRP 36 13.609 0.708 -1.346 224 HD1 TRP 36 HD1 TRP 36 11.550 1.277 1.488 225 HE1 TRP 36 HE1 TRP 36 10.776 3.723 1.683 226 HE3 TRP 36 HE3 TRP 36 12.562 2.833 -3.276 227 HZ2 TRP 36 HZ2 TRP 36 10.614 6.011 0.037 228 HZ3 TRP 36 HZ3 TRP 36 12.067 5.165 -3.885 229 HH2 TRP 36 HH2 TRP 36 11.112 6.720 -2.262 Start of MODEL 4 1 H1 ASP 1 H1 ASP 1 -7.884 -12.116 1.548 2 HA ASP 1 HA ASP 1 -5.733 -12.686 0.253 3 HB3 ASP 1 HB3 ASP 1 -6.336 -12.840 -2.246 4 H PHE 2 H PHE 2 -8.505 -11.138 -1.375 5 HA PHE 2 HA PHE 2 -8.788 -9.028 -2.186 6 HB3 PHE 2 HB3 PHE 2 -8.461 -7.255 -0.630 7 HD1 PHE 2 HD2 PHE 2 -10.761 -8.656 -0.700 8 HD2 PHE 2 HD1 PHE 2 -7.699 -9.032 2.232 9 HE1 PHE 2 HE2 PHE 2 -12.403 -9.560 0.894 10 HE2 PHE 2 HE1 PHE 2 -9.335 -9.938 3.830 11 HZ PHE 2 HZ PHE 2 -11.691 -10.202 3.163 12 HA PRO 3 HA PRO 3 -4.525 -8.943 -4.016 13 HB3 PRO 3 HB3 PRO 3 -5.099 -10.517 -5.588 14 HG3 PRO 3 HG3 PRO 3 -7.320 -10.866 -6.181 15 HD3 PRO 3 HD3 PRO 3 -7.502 -10.966 -3.886 16 H LEU 4 H LEU 4 -4.760 -6.710 -3.106 17 HA LEU 4 HA LEU 4 -5.698 -4.755 -5.082 18 HB3 LEU 4 HB3 LEU 4 -6.563 -4.560 -2.791 19 HG LEU 4 HG LEU 4 -3.853 -4.860 -1.956 20 HD11 LEU 4 HD11 LEU 4 -3.262 -2.938 -0.935 21 HD12 LEU 4 HD12 LEU 4 -4.928 -2.486 -0.578 22 HD13 LEU 4 HD13 LEU 4 -4.270 -2.216 -2.191 23 HD21 LEU 4 HD21 LEU 4 -4.826 -5.270 0.127 24 HD22 LEU 4 HD22 LEU 4 -6.063 -5.766 -1.029 25 HD23 LEU 4 HD23 LEU 4 -6.200 -4.214 -0.203 26 H SER 5 H SER 5 -4.223 -2.565 -4.476 27 HA SER 5 HA SER 5 -1.932 -2.832 -5.988 28 HB3 SER 5 HB3 SER 5 -1.282 -0.713 -4.385 29 HG SER 5 HG SER 5 -3.277 -0.087 -6.144 30 H LYS 6 H LYS 6 0.343 -2.306 -5.182 31 HA LYS 6 HA LYS 6 0.920 -3.887 -2.761 32 HB3 LYS 6 HB3 LYS 6 3.013 -4.617 -3.862 33 HG3 LYS 6 HG3 LYS 6 0.615 -5.228 -5.579 34 HD3 LYS 6 HD3 LYS 6 3.111 -5.910 -6.167 35 HE3 LYS 6 HE3 LYS 6 2.410 -8.409 -4.774 36 HZ1 LYS 6 HZ1 LYS 6 4.758 -8.579 -4.568 37 HZ2 LYS 6 HZ2 LYS 6 4.986 -6.952 -4.969 38 HZ3 LYS 6 HZ3 LYS 6 4.436 -8.042 -6.139 39 H GLU 7 H GLU 7 3.540 -3.457 -2.414 40 HA GLU 7 HA GLU 7 3.731 -1.037 -1.130 41 HB3 GLU 7 HB3 GLU 7 5.967 -2.636 -2.386 42 HG3 GLU 7 HG3 GLU 7 5.998 -0.317 -0.532 43 H TYR 8 H TYR 8 4.327 1.012 -1.640 44 HA TYR 8 HA TYR 8 4.734 2.864 -2.897 45 HB3 TYR 8 HB3 TYR 8 5.990 1.147 -5.020 46 HD1 TYR 8 HD1 TYR 8 7.420 3.710 -2.762 47 HD2 TYR 8 HD2 TYR 8 6.046 2.822 -6.690 48 HE1 TYR 8 HE1 TYR 8 8.359 5.837 -3.566 49 HE2 TYR 8 HE2 TYR 8 6.982 4.946 -7.504 50 HH TYR 8 HH TYR 8 7.606 7.409 -5.915 51 H GLU 9 H GLU 9 2.355 2.781 -3.176 52 HA GLU 9 HA GLU 9 1.659 3.244 -5.882 53 HB3 GLU 9 HB3 GLU 9 -0.231 1.244 -5.307 54 HG3 GLU 9 HG3 GLU 9 1.359 1.967 -7.443 55 H THR 10 H THR 10 -0.233 1.856 -3.207 56 HA THR 10 HA THR 10 -1.247 4.315 -2.263 57 HB THR 10 HB THR 10 -3.679 3.318 -3.217 58 HG1 THR 10 HG1 THR 10 -3.255 3.362 -5.522 59 HG21 THR 10 HG21 THR 10 -2.027 5.715 -3.483 60 HG22 THR 10 HG22 THR 10 -3.763 5.562 -3.220 61 HG23 THR 10 HG23 THR 10 -3.105 5.448 -4.852 62 H CYS 11 H CYS 11 -3.495 3.820 -1.073 63 HA CYS 11 HA CYS 11 -4.065 1.238 -0.176 64 HB3 CYS 11 HB3 CYS 11 -1.935 1.125 0.877 65 H VAL 12 H VAL 12 -5.995 2.602 -0.730 66 HA VAL 12 HA VAL 12 -6.814 4.540 1.258 67 HB VAL 12 HB VAL 12 -8.937 4.619 -0.066 68 HG11 VAL 12 HG11 VAL 12 -6.489 4.978 -1.783 69 HG12 VAL 12 HG12 VAL 12 -8.009 5.870 -1.866 70 HG13 VAL 12 HG13 VAL 12 -6.937 6.079 -0.481 71 HG21 VAL 12 HG21 VAL 12 -8.332 2.167 -0.936 72 HG22 VAL 12 HG22 VAL 12 -9.362 3.275 -1.845 73 HG23 VAL 12 HG23 VAL 12 -7.658 3.107 -2.267 74 H ARG 13 H ARG 13 -9.356 4.218 1.790 75 HA ARG 13 HA ARG 13 -9.477 2.265 3.769 76 HB3 ARG 13 HB3 ARG 13 -12.131 2.779 3.003 77 HG3 ARG 13 HG3 ARG 13 -10.416 4.296 4.957 78 HD3 ARG 13 HD3 ARG 13 -13.145 4.038 5.728 79 HE ARG 13 HE ARG 13 -11.223 6.091 5.652 80 HH11 ARG 13 HH11 ARG 13 -14.671 5.618 5.533 81 HH12 ARG 13 HH12 ARG 13 -15.037 7.166 6.223 82 HH21 ARG 13 HH22 ARG 13 -11.694 8.130 6.560 83 HH22 ARG 13 HH21 ARG 13 -13.344 8.593 6.806 84 HA PRO 14 HA PRO 14 -12.191 -0.429 0.822 85 HB3 PRO 14 HB3 PRO 14 -13.481 0.901 -0.537 86 HG3 PRO 14 HG3 PRO 14 -12.687 2.940 -1.324 87 HD3 PRO 14 HD3 PRO 14 -12.219 3.172 0.921 88 H ARG 15 H ARG 15 -9.119 0.820 0.196 89 HA ARG 15 HA ARG 15 -8.312 -1.708 -1.054 90 HB3 ARG 15 HB3 ARG 15 -6.866 0.723 -1.941 91 HG3 ARG 15 HG3 ARG 15 -7.396 -1.970 -2.928 92 HD3 ARG 15 HD3 ARG 15 -6.988 -1.007 -5.329 93 HE ARG 15 HE ARG 15 -9.766 -0.704 -4.833 94 HH11 ARG 15 HH11 ARG 15 -7.178 -3.031 -4.752 95 HH12 ARG 15 HH12 ARG 15 -8.218 -4.393 -5.008 96 HH21 ARG 15 HH22 ARG 15 -11.147 -2.489 -5.170 97 HH22 ARG 15 HH21 ARG 15 -10.477 -4.083 -5.246 98 H LYS 16 H LYS 16 -8.080 -1.328 1.601 99 HA LYS 16 HA LYS 16 -5.672 -0.100 2.444 100 HB3 LYS 16 HB3 LYS 16 -6.575 -2.369 4.064 101 HG3 LYS 16 HG3 LYS 16 -6.478 0.591 4.619 102 HD3 LYS 16 HD3 LYS 16 -6.350 -1.462 6.756 103 HE3 LYS 16 HE3 LYS 16 -6.507 1.302 6.625 104 HZ1 LYS 16 HZ1 LYS 16 -8.785 1.463 6.286 105 HZ2 LYS 16 HZ2 LYS 16 -8.640 1.593 7.967 106 HZ3 LYS 16 HZ3 LYS 16 -9.141 0.135 7.271 107 H CYS 17 H CYS 17 -3.630 -0.854 2.631 108 HA CYS 17 HA CYS 17 -2.660 -2.848 0.999 109 HB3 CYS 17 HB3 CYS 17 -0.774 -2.838 2.951 110 H GLN 18 H GLN 18 -3.116 -4.942 1.003 111 HA GLN 18 HA GLN 18 -4.197 -6.336 3.205 112 HB3 GLN 18 HB3 GLN 18 -3.116 -7.141 0.531 113 HG3 GLN 18 HG3 GLN 18 -4.255 -9.435 1.332 114 HE21 GLN 18 HE22 GLN 18 -2.791 -9.284 -0.616 115 HE22 GLN 18 HE21 GLN 18 -1.167 -9.831 -0.407 116 HA PRO 19 HA PRO 19 0.192 -8.335 3.620 117 HB3 PRO 19 HB3 PRO 19 1.264 -8.379 1.589 118 HG3 PRO 19 HG3 PRO 19 0.946 -6.686 0.027 119 HD3 PRO 19 HD3 PRO 19 -1.249 -7.184 0.526 120 HA PRO 20 HA PRO 20 1.693 -5.663 6.773 121 HB3 PRO 20 HB3 PRO 20 2.896 -7.437 7.599 122 HG3 PRO 20 HG3 PRO 20 3.955 -8.937 6.172 123 HD3 PRO 20 HD3 PRO 20 1.850 -8.916 5.233 124 H LEU 21 H LEU 21 1.489 -3.850 5.126 125 HA LEU 21 HA LEU 21 4.135 -2.773 4.416 126 HB3 LEU 21 HB3 LEU 21 2.575 -1.200 2.999 127 HG LEU 21 HG LEU 21 2.473 -2.858 1.102 128 HD11 LEU 21 HD11 LEU 21 5.141 -3.148 1.313 129 HD12 LEU 21 HD12 LEU 21 4.866 -1.886 2.514 130 HD13 LEU 21 HD13 LEU 21 4.350 -1.643 0.845 131 HD21 LEU 21 HD21 LEU 21 2.338 -4.835 2.696 132 HD22 LEU 21 HD22 LEU 21 4.076 -4.632 2.921 133 HD23 LEU 21 HD23 LEU 21 3.430 -4.994 1.321 134 H LYS 22 H LYS 22 3.893 -0.208 4.222 135 HA LYS 22 HA LYS 22 2.441 0.853 6.525 136 HB3 LYS 22 HB3 LYS 22 5.319 1.619 6.159 137 HG3 LYS 22 HG3 LYS 22 3.249 2.050 8.172 138 HD3 LYS 22 HD3 LYS 22 5.306 2.174 9.869 139 HE3 LYS 22 HE3 LYS 22 4.117 -0.534 9.573 140 HZ1 LYS 22 HZ1 LYS 22 3.878 1.221 11.916 141 HZ2 LYS 22 HZ2 LYS 22 5.374 0.505 11.576 142 HZ3 LYS 22 HZ3 LYS 22 4.014 -0.463 11.846 143 H CYS 23 H CYS 23 1.235 2.413 5.676 144 HA CYS 23 HA CYS 23 1.969 3.799 3.279 145 HB3 CYS 23 HB3 CYS 23 -0.128 5.030 3.601 146 H ASN 24 H ASN 24 1.354 6.366 3.518 147 HA ASN 24 HA ASN 24 3.007 7.444 5.695 148 HB3 ASN 24 HB3 ASN 24 3.898 9.111 3.978 149 HD21 ASN 24 HD22 ASN 24 5.152 7.382 1.871 150 HD22 ASN 24 HD21 ASN 24 6.345 6.465 2.720 151 H LYS 25 H LYS 25 1.386 8.895 2.883 152 HA LYS 25 HA LYS 25 -0.760 9.964 4.448 153 HB3 LYS 25 HB3 LYS 25 1.331 11.885 3.407 154 HG3 LYS 25 HG3 LYS 25 -0.540 12.978 5.297 155 HD3 LYS 25 HD3 LYS 25 1.061 14.042 3.527 156 HE3 LYS 25 HE3 LYS 25 -1.270 13.161 1.931 157 HZ1 LYS 25 HZ1 LYS 25 -1.805 15.304 1.509 158 HZ2 LYS 25 HZ2 LYS 25 -0.514 15.179 0.421 159 HZ3 LYS 25 HZ3 LYS 25 -0.281 15.905 1.931 160 H ALA 26 H ALA 26 1.126 10.133 1.468 161 HA ALA 26 HA ALA 26 -1.243 10.931 -0.042 162 HB1 ALA 26 HB1 ALA 26 0.805 12.108 -0.555 163 HB2 ALA 26 HB2 ALA 26 1.625 10.586 -0.906 164 HB3 ALA 26 HB3 ALA 26 0.312 11.141 -1.944 165 H GLN 27 H GLN 27 -0.722 8.202 1.207 166 HA GLN 27 HA GLN 27 -1.161 6.026 0.716 167 HB3 GLN 27 HB3 GLN 27 -2.612 5.541 -1.156 168 HG3 GLN 27 HG3 GLN 27 -4.456 6.886 -0.716 169 HE21 GLN 27 HE22 GLN 27 -3.594 8.808 1.699 170 HE22 GLN 27 HE21 GLN 27 -3.641 7.707 3.030 171 H ILE 28 H ILE 28 0.952 5.309 0.615 172 HA ILE 28 HA ILE 28 1.942 4.781 -2.096 173 HB ILE 28 HB ILE 28 3.756 5.643 0.155 174 HG13 ILE 28 HG13 ILE 28 3.985 7.776 -0.988 175 HG21 ILE 28 HG21 ILE 28 5.407 5.862 -1.689 176 HG22 ILE 28 HG22 ILE 28 4.856 4.210 -1.424 177 HG23 ILE 28 HG23 ILE 28 4.223 5.142 -2.780 178 HD11 ILE 28 HD11 ILE 28 1.760 7.837 -2.706 179 HD12 ILE 28 HD12 ILE 28 3.461 8.054 -3.113 180 HD13 ILE 28 HD13 ILE 28 2.737 6.446 -3.174 181 H CYS 29 H CYS 29 2.232 4.037 1.359 182 HA CYS 29 HA CYS 29 2.524 2.070 2.465 183 HB3 CYS 29 HB3 CYS 29 2.346 0.050 0.537 184 H VAL 30 H VAL 30 4.394 1.266 3.154 185 HA VAL 30 HA VAL 30 6.335 0.118 1.387 186 HB VAL 30 HB VAL 30 8.064 1.866 2.550 187 HG11 VAL 30 HG11 VAL 30 6.990 1.355 -0.068 188 HG12 VAL 30 HG12 VAL 30 7.382 3.065 0.117 189 HG13 VAL 30 HG13 VAL 30 8.619 1.840 0.398 190 HG21 VAL 30 HG21 VAL 30 6.081 3.172 3.387 191 HG22 VAL 30 HG22 VAL 30 7.239 4.091 2.424 192 HG23 VAL 30 HG23 VAL 30 5.720 3.557 1.705 193 H ASP 31 H ASP 31 8.504 -0.164 2.774 194 HA ASP 31 HA ASP 31 8.329 -0.349 5.568 195 HB3 ASP 31 HB3 ASP 31 6.800 -2.079 5.553 196 HA PRO 32 HA PRO 32 12.629 -1.088 5.122 197 HB3 PRO 32 HB3 PRO 32 12.813 -0.806 7.394 198 HG3 PRO 32 HG3 PRO 32 11.188 -1.628 8.841 199 HD3 PRO 32 HD3 PRO 32 9.851 -0.504 7.338 200 H LYS 33 H LYS 33 10.499 -3.815 5.460 201 HA LYS 33 HA LYS 33 12.266 -5.941 5.154 202 HB3 LYS 33 HB3 LYS 33 9.738 -6.230 3.683 203 HG3 LYS 33 HG3 LYS 33 11.247 -7.688 5.769 204 HD3 LYS 33 HD3 LYS 33 9.175 -9.146 6.071 205 HE3 LYS 33 HE3 LYS 33 8.180 -7.128 7.618 206 HZ1 LYS 33 HZ1 LYS 33 8.897 -8.587 9.099 207 HZ2 LYS 33 HZ2 LYS 33 10.486 -8.047 8.886 208 HZ3 LYS 33 HZ3 LYS 33 9.895 -9.326 7.951 209 H LYS 34 H LYS 34 11.045 -3.663 2.813 210 HA LYS 34 HA LYS 34 12.668 -4.994 0.745 211 HB3 LYS 34 HB3 LYS 34 10.163 -3.398 0.205 212 HG3 LYS 34 HG3 LYS 34 12.022 -3.961 -1.587 213 HD3 LYS 34 HD3 LYS 34 10.785 -6.077 -2.741 214 HE3 LYS 34 HE3 LYS 34 13.284 -5.577 -1.376 215 HZ1 LYS 34 HZ1 LYS 34 13.765 -7.534 -0.452 216 HZ2 LYS 34 HZ2 LYS 34 12.993 -8.425 -1.665 217 HZ3 LYS 34 HZ3 LYS 34 12.094 -7.788 -0.382 218 H GLY 35 H GLY 35 14.300 -3.793 0.036 219 HA2 GLY 35 HA2 GLY 35 14.599 -1.065 0.852 220 HA3 GLY 35 HA3 GLY 35 15.699 -1.970 -0.177 221 H TRP 36 H TRP 36 12.749 -0.057 -0.119 222 HA TRP 36 HA TRP 36 11.723 1.216 -1.699 223 HB3 TRP 36 HB3 TRP 36 14.140 1.097 -3.459 224 HD1 TRP 36 HD1 TRP 36 12.720 2.277 -5.361 225 HE1 TRP 36 HE1 TRP 36 11.767 4.656 -5.603 226 HE3 TRP 36 HE3 TRP 36 13.227 3.852 -0.524 227 HZ2 TRP 36 HZ2 TRP 36 11.295 6.904 -3.962 228 HZ3 TRP 36 HZ3 TRP 36 12.501 6.130 0.058 229 HH2 TRP 36 HH2 TRP 36 11.556 7.622 -1.627 Start of MODEL 5 1 H1 ASP 1 H1 ASP 1 -13.491 -4.747 -0.251 2 HA ASP 1 HA ASP 1 -11.632 -3.364 0.754 3 HB3 ASP 1 HB3 ASP 1 -9.992 -4.725 2.071 4 H PHE 2 H PHE 2 -11.528 -6.776 -0.244 5 HA PHE 2 HA PHE 2 -10.489 -7.819 -1.978 6 HB3 PHE 2 HB3 PHE 2 -10.143 -6.630 -4.014 7 HD1 PHE 2 HD2 PHE 2 -12.419 -7.833 -3.852 8 HD2 PHE 2 HD1 PHE 2 -11.845 -3.711 -2.959 9 HE1 PHE 2 HE2 PHE 2 -14.822 -7.431 -4.187 10 HE2 PHE 2 HE1 PHE 2 -14.249 -3.302 -3.291 11 HZ PHE 2 HZ PHE 2 -15.741 -5.162 -3.907 12 HA PRO 3 HA PRO 3 -6.204 -7.816 -1.030 13 HB3 PRO 3 HB3 PRO 3 -6.107 -9.885 -2.025 14 HG3 PRO 3 HG3 PRO 3 -7.368 -10.365 -3.919 15 HD3 PRO 3 HD3 PRO 3 -9.008 -9.475 -2.566 16 H LEU 4 H LEU 4 -3.996 -7.323 -2.133 17 HA LEU 4 HA LEU 4 -3.852 -5.516 -4.284 18 HB3 LEU 4 HB3 LEU 4 -4.077 -4.349 -1.536 19 HG LEU 4 HG LEU 4 -1.993 -3.387 -2.361 20 HD11 LEU 4 HD11 LEU 4 -1.671 -3.103 -4.534 21 HD12 LEU 4 HD12 LEU 4 -2.871 -1.812 -4.523 22 HD13 LEU 4 HD13 LEU 4 -3.363 -3.470 -4.866 23 HD21 LEU 4 HD21 LEU 4 -3.752 -2.032 -1.137 24 HD22 LEU 4 HD22 LEU 4 -4.178 -1.353 -2.707 25 HD23 LEU 4 HD23 LEU 4 -2.556 -1.118 -2.057 26 H SER 5 H SER 5 -1.765 -5.204 -4.914 27 HA SER 5 HA SER 5 0.234 -6.865 -3.879 28 HB3 SER 5 HB3 SER 5 1.423 -4.649 -5.264 29 HG SER 5 HG SER 5 1.421 -6.453 -6.934 30 H LYS 6 H LYS 6 2.550 -5.517 -3.615 31 HA LYS 6 HA LYS 6 2.112 -3.892 -1.197 32 HB3 LYS 6 HB3 LYS 6 3.232 -6.088 -0.837 33 HG3 LYS 6 HG3 LYS 6 5.768 -5.067 -1.951 34 HD3 LYS 6 HD3 LYS 6 4.447 -7.752 -1.612 35 HE3 LYS 6 HE3 LYS 6 6.366 -7.034 -3.564 36 HZ1 LYS 6 HZ1 LYS 6 8.334 -7.732 -2.841 37 HZ2 LYS 6 HZ2 LYS 6 7.684 -9.111 -2.107 38 HZ3 LYS 6 HZ3 LYS 6 7.709 -7.640 -1.272 39 H GLU 7 H GLU 7 4.612 -2.858 -0.837 40 HA GLU 7 HA GLU 7 5.981 -1.146 -1.444 41 HB3 GLU 7 HB3 GLU 7 5.960 -1.059 -4.228 42 HG3 GLU 7 HG3 GLU 7 7.940 -1.122 -2.695 43 H TYR 8 H TYR 8 6.006 0.834 -3.146 44 HA TYR 8 HA TYR 8 3.916 2.498 -2.446 45 HB3 TYR 8 HB3 TYR 8 6.053 3.323 -3.313 46 HD1 TYR 8 HD2 TYR 8 7.430 1.511 -4.337 47 HD2 TYR 8 HD1 TYR 8 4.463 3.610 -6.550 48 HE1 TYR 8 HE2 TYR 8 8.446 0.725 -6.435 49 HE2 TYR 8 HE1 TYR 8 5.471 2.829 -8.654 50 HH TYR 8 HH TYR 8 7.187 0.454 -9.099 51 H GLU 9 H GLU 9 1.857 2.611 -3.025 52 HA GLU 9 HA GLU 9 0.977 2.234 -5.715 53 HB3 GLU 9 HB3 GLU 9 0.301 0.119 -3.667 54 HG3 GLU 9 HG3 GLU 9 -1.221 1.010 -5.978 55 H THR 10 H THR 10 -0.696 1.499 -2.673 56 HA THR 10 HA THR 10 -1.810 3.992 -2.172 57 HB THR 10 HB THR 10 -2.979 4.019 -4.217 58 HG1 THR 10 HG1 THR 10 -4.891 4.362 -3.350 59 HG21 THR 10 HG21 THR 10 -2.966 1.998 -5.249 60 HG22 THR 10 HG22 THR 10 -4.586 1.889 -4.561 61 HG23 THR 10 HG23 THR 10 -3.229 1.110 -3.748 62 H CYS 11 H CYS 11 -2.825 3.950 -0.245 63 HA CYS 11 HA CYS 11 -3.851 1.374 0.735 64 HB3 CYS 11 HB3 CYS 11 -1.747 1.515 1.804 65 H VAL 12 H VAL 12 -5.760 2.743 -0.159 66 HA VAL 12 HA VAL 12 -6.706 4.802 1.643 67 HB VAL 12 HB VAL 12 -8.466 3.595 -0.442 68 HG11 VAL 12 HG11 VAL 12 -9.664 5.379 0.120 69 HG12 VAL 12 HG12 VAL 12 -8.366 5.974 1.156 70 HG13 VAL 12 HG13 VAL 12 -8.395 6.399 -0.555 71 HG21 VAL 12 HG21 VAL 12 -5.929 5.083 -0.950 72 HG22 VAL 12 HG22 VAL 12 -6.630 3.723 -1.825 73 HG23 VAL 12 HG23 VAL 12 -7.312 5.338 -2.013 74 H ARG 13 H ARG 13 -9.036 4.646 2.403 75 HA ARG 13 HA ARG 13 -9.350 2.755 4.339 76 HB3 ARG 13 HB3 ARG 13 -11.968 3.268 3.492 77 HG3 ARG 13 HG3 ARG 13 -11.024 3.499 5.799 78 HD3 ARG 13 HD3 ARG 13 -10.537 6.298 5.693 79 HE ARG 13 HE ARG 13 -8.291 4.626 6.267 80 HH11 ARG 13 HH11 ARG 13 -11.390 5.690 7.442 81 HH12 ARG 13 HH12 ARG 13 -11.003 5.402 9.107 82 HH21 ARG 13 HH22 ARG 13 -7.769 4.244 8.454 83 HH22 ARG 13 HH21 ARG 13 -8.943 4.581 9.681 84 HA PRO 14 HA PRO 14 -12.025 -0.036 1.446 85 HB3 PRO 14 HB3 PRO 14 -13.238 1.245 -0.026 86 HG3 PRO 14 HG3 PRO 14 -12.372 3.222 -0.890 87 HD3 PRO 14 HD3 PRO 14 -11.975 3.564 1.355 88 H ARG 15 H ARG 15 -9.329 1.378 -0.413 89 HA ARG 15 HA ARG 15 -8.434 -1.281 -1.191 90 HB3 ARG 15 HB3 ARG 15 -6.547 0.507 -2.122 91 HG3 ARG 15 HG3 ARG 15 -8.869 -0.870 -3.274 92 HD3 ARG 15 HD3 ARG 15 -7.822 0.621 -5.404 93 HE ARG 15 HE ARG 15 -10.422 1.415 -4.505 94 HH11 ARG 15 HH11 ARG 15 -8.586 -1.178 -5.930 95 HH12 ARG 15 HH12 ARG 15 -9.957 -1.894 -6.711 96 HH21 ARG 15 HH22 ARG 15 -12.235 0.481 -5.529 97 HH22 ARG 15 HH21 ARG 15 -12.032 -0.948 -6.482 98 H LYS 16 H LYS 16 -7.467 -2.306 0.472 99 HA LYS 16 HA LYS 16 -5.255 -0.903 1.823 100 HB3 LYS 16 HB3 LYS 16 -5.871 -3.020 3.467 101 HG3 LYS 16 HG3 LYS 16 -7.439 -1.057 4.530 102 HD3 LYS 16 HD3 LYS 16 -5.190 -2.283 5.243 103 HE3 LYS 16 HE3 LYS 16 -4.195 0.523 4.938 104 HZ1 LYS 16 HZ1 LYS 16 -2.046 -0.748 4.964 105 HZ2 LYS 16 HZ2 LYS 16 -2.941 -2.125 5.371 106 HZ3 LYS 16 HZ3 LYS 16 -2.928 -0.788 6.406 107 H CYS 17 H CYS 17 -3.288 -1.712 1.517 108 HA CYS 17 HA CYS 17 -2.678 -3.739 -0.249 109 HB3 CYS 17 HB3 CYS 17 -0.447 -3.822 1.092 110 H GLN 18 H GLN 18 -2.757 -5.886 -0.191 111 HA GLN 18 HA GLN 18 -3.946 -7.354 1.817 112 HB3 GLN 18 HB3 GLN 18 -2.048 -9.032 0.493 113 HG3 GLN 18 HG3 GLN 18 -4.274 -9.489 -0.890 114 HE21 GLN 18 HE22 GLN 18 -3.809 -11.576 -0.694 115 HE22 GLN 18 HE21 GLN 18 -3.825 -12.470 0.784 116 HA PRO 19 HA PRO 19 0.395 -8.672 3.467 117 HB3 PRO 19 HB3 PRO 19 1.913 -8.805 1.747 118 HG3 PRO 19 HG3 PRO 19 1.812 -7.343 -0.058 119 HD3 PRO 19 HD3 PRO 19 -0.382 -8.045 0.006 120 HA PRO 20 HA PRO 20 0.865 -5.513 6.488 121 HB3 PRO 20 HB3 PRO 20 2.005 -7.027 7.787 122 HG3 PRO 20 HG3 PRO 20 3.503 -8.532 6.839 123 HD3 PRO 20 HD3 PRO 20 1.682 -8.869 5.467 124 H LEU 21 H LEU 21 0.818 -3.691 5.068 125 HA LEU 21 HA LEU 21 3.468 -2.524 4.524 126 HB3 LEU 21 HB3 LEU 21 1.966 -1.082 2.902 127 HG LEU 21 HG LEU 21 2.190 -2.798 1.059 128 HD11 LEU 21 HD11 LEU 21 4.513 -1.894 2.729 129 HD12 LEU 21 HD12 LEU 21 3.895 -1.200 1.230 130 HD13 LEU 21 HD13 LEU 21 4.733 -2.752 1.204 131 HD21 LEU 21 HD21 LEU 21 3.843 -4.381 2.977 132 HD22 LEU 21 HD22 LEU 21 3.147 -4.862 1.429 133 HD23 LEU 21 HD23 LEU 21 2.111 -4.690 2.847 134 H LYS 22 H LYS 22 3.137 0.011 4.229 135 HA LYS 22 HA LYS 22 1.374 1.069 6.305 136 HB3 LYS 22 HB3 LYS 22 4.232 1.970 6.274 137 HG3 LYS 22 HG3 LYS 22 3.051 1.690 8.862 138 HD3 LYS 22 HD3 LYS 22 3.365 4.384 7.757 139 HE3 LYS 22 HE3 LYS 22 4.303 2.796 10.100 140 HZ1 LYS 22 HZ1 LYS 22 6.313 3.839 9.597 141 HZ2 LYS 22 HZ2 LYS 22 5.587 4.874 10.721 142 HZ3 LYS 22 HZ3 LYS 22 5.567 5.264 9.075 143 H CYS 23 H CYS 23 1.180 3.423 6.230 144 HA CYS 23 HA CYS 23 1.479 4.395 3.478 145 HB3 CYS 23 HB3 CYS 23 -0.250 6.013 4.020 146 H ASN 24 H ASN 24 1.553 6.992 3.561 147 HA ASN 24 HA ASN 24 3.656 7.792 5.449 148 HB3 ASN 24 HB3 ASN 24 5.061 7.531 3.664 149 HD21 ASN 24 HD22 ASN 24 3.490 9.505 1.426 150 HD22 ASN 24 HD21 ASN 24 3.021 8.280 0.302 151 H LYS 25 H LYS 25 2.069 9.359 2.678 152 HA LYS 25 HA LYS 25 0.271 10.931 4.122 153 HB3 LYS 25 HB3 LYS 25 2.033 12.083 5.180 154 HG3 LYS 25 HG3 LYS 25 3.497 11.575 2.739 155 HD3 LYS 25 HD3 LYS 25 4.049 14.247 3.984 156 HE3 LYS 25 HE3 LYS 25 4.648 13.962 1.195 157 HZ1 LYS 25 HZ1 LYS 25 6.985 14.198 2.211 158 HZ2 LYS 25 HZ2 LYS 25 6.167 14.448 3.671 159 HZ3 LYS 25 HZ3 LYS 25 5.900 15.487 2.364 160 H ALA 26 H ALA 26 0.488 9.503 1.640 161 HA ALA 26 HA ALA 26 -0.758 11.412 -0.079 162 HB1 ALA 26 HB1 ALA 26 2.010 10.453 -0.753 163 HB2 ALA 26 HB2 ALA 26 0.885 11.044 -1.977 164 HB3 ALA 26 HB3 ALA 26 1.411 12.110 -0.676 165 H GLN 27 H GLN 27 -1.190 8.758 1.156 166 HA GLN 27 HA GLN 27 -2.152 6.759 0.654 167 HB3 GLN 27 HB3 GLN 27 -3.586 6.664 -1.248 168 HG3 GLN 27 HG3 GLN 27 -3.394 9.578 -0.525 169 HE21 GLN 27 HE22 GLN 27 -6.305 9.047 0.171 170 HE22 GLN 27 HE21 GLN 27 -7.123 9.189 -1.344 171 H ILE 28 H ILE 28 0.291 6.213 0.692 172 HA ILE 28 HA ILE 28 0.821 4.620 -1.702 173 HB ILE 28 HB ILE 28 3.079 6.142 -0.438 174 HG13 ILE 28 HG13 ILE 28 1.462 7.823 -1.179 175 HG21 ILE 28 HG21 ILE 28 4.297 5.010 -1.905 176 HG22 ILE 28 HG22 ILE 28 2.846 4.169 -2.447 177 HG23 ILE 28 HG23 ILE 28 3.342 5.668 -3.234 178 HD11 ILE 28 HD11 ILE 28 4.071 7.789 -1.965 179 HD12 ILE 28 HD12 ILE 28 3.224 8.025 -3.493 180 HD13 ILE 28 HD13 ILE 28 2.962 9.147 -2.158 181 H CYS 29 H CYS 29 1.395 2.608 -1.201 182 HA CYS 29 HA CYS 29 1.694 1.832 1.540 183 HB3 CYS 29 HB3 CYS 29 2.394 -0.380 0.058 184 H VAL 30 H VAL 30 3.497 1.180 2.625 185 HA VAL 30 HA VAL 30 6.019 0.782 1.304 186 HB VAL 30 HB VAL 30 6.970 2.638 3.003 187 HG11 VAL 30 HG11 VAL 30 5.977 3.477 0.298 188 HG12 VAL 30 HG12 VAL 30 7.470 3.935 1.121 189 HG13 VAL 30 HG13 VAL 30 7.278 2.301 0.484 190 HG21 VAL 30 HG21 VAL 30 4.707 3.327 3.693 191 HG22 VAL 30 HG22 VAL 30 5.603 4.639 2.928 192 HG23 VAL 30 HG23 VAL 30 4.353 3.781 2.026 193 H ASP 31 H ASP 31 7.817 0.693 3.118 194 HA ASP 31 HA ASP 31 7.183 0.105 5.763 195 HB3 ASP 31 HB3 ASP 31 7.742 -2.555 5.011 196 HA PRO 32 HA PRO 32 11.556 -0.006 6.074 197 HB3 PRO 32 HB3 PRO 32 11.297 0.044 8.355 198 HG3 PRO 32 HG3 PRO 32 9.585 -1.139 9.395 199 HD3 PRO 32 HD3 PRO 32 8.378 -0.041 7.766 200 H LYS 33 H LYS 33 10.917 -1.603 4.008 201 HA LYS 33 HA LYS 33 12.836 -3.776 4.286 202 HB3 LYS 33 HB3 LYS 33 10.810 -4.927 2.748 203 HG3 LYS 33 HG3 LYS 33 11.479 -5.379 5.649 204 HD3 LYS 33 HD3 LYS 33 9.231 -6.282 4.551 205 HE3 LYS 33 HE3 LYS 33 10.926 -8.657 4.031 206 HZ1 LYS 33 HZ1 LYS 33 8.268 -7.894 3.643 207 HZ2 LYS 33 HZ2 LYS 33 8.991 -9.379 3.277 208 HZ3 LYS 33 HZ3 LYS 33 8.944 -8.151 2.114 209 H LYS 34 H LYS 34 10.569 -2.130 2.099 210 HA LYS 34 HA LYS 34 12.645 -1.521 0.237 211 HB3 LYS 34 HB3 LYS 34 10.589 -3.128 -1.134 212 HG3 LYS 34 HG3 LYS 34 12.858 -4.153 -2.007 213 HD3 LYS 34 HD3 LYS 34 12.441 -1.362 -2.920 214 HE3 LYS 34 HE3 LYS 34 12.248 -2.570 -5.109 215 HZ1 LYS 34 HZ1 LYS 34 14.684 -3.538 -4.811 216 HZ2 LYS 34 HZ2 LYS 34 14.611 -2.598 -3.406 217 HZ3 LYS 34 HZ3 LYS 34 14.375 -1.879 -4.918 218 H GLY 35 H GLY 35 12.076 0.535 -0.098 219 HA2 GLY 35 HA2 GLY 35 9.475 1.071 -1.298 220 HA3 GLY 35 HA3 GLY 35 9.804 1.883 0.226 221 H TRP 36 H TRP 36 11.423 3.479 0.318 222 HA TRP 36 HA TRP 36 11.744 4.926 -2.146 223 HB3 TRP 36 HB3 TRP 36 12.935 5.539 0.566 224 HD1 TRP 36 HD1 TRP 36 11.804 7.194 -2.763 225 HE1 TRP 36 HE1 TRP 36 13.222 9.314 -3.109 226 HE3 TRP 36 HE3 TRP 36 14.503 7.083 1.577 227 HZ2 TRP 36 HZ2 TRP 36 15.220 10.749 -1.725 228 HZ3 TRP 36 HZ3 TRP 36 16.148 8.866 1.989 229 HH2 TRP 36 HH2 TRP 36 16.498 10.659 0.370 Start of MODEL 6 1 H1 ASP 1 H1 ASP 1 -10.967 -8.659 -1.097 2 HA ASP 1 HA ASP 1 -13.572 -8.497 -1.684 3 HB3 ASP 1 HB3 ASP 1 -13.871 -5.904 -0.951 4 H PHE 2 H PHE 2 -11.181 -5.867 -1.347 5 HA PHE 2 HA PHE 2 -11.384 -5.431 -4.248 6 HB3 PHE 2 HB3 PHE 2 -10.079 -3.242 -3.444 7 HD1 PHE 2 HD2 PHE 2 -13.475 -4.559 -2.635 8 HD2 PHE 2 HD1 PHE 2 -11.156 -1.497 -4.469 9 HE1 PHE 2 HE2 PHE 2 -15.537 -3.489 -3.447 10 HE2 PHE 2 HE1 PHE 2 -13.214 -0.422 -5.284 11 HZ PHE 2 HZ PHE 2 -15.408 -1.419 -4.774 12 HA PRO 3 HA PRO 3 -7.238 -6.654 -4.988 13 HB3 PRO 3 HB3 PRO 3 -7.563 -6.090 -7.191 14 HG3 PRO 3 HG3 PRO 3 -8.802 -4.212 -7.778 15 HD3 PRO 3 HD3 PRO 3 -10.263 -5.205 -6.297 16 H LEU 4 H LEU 4 -4.923 -5.740 -5.170 17 HA LEU 4 HA LEU 4 -4.402 -3.316 -3.702 18 HB3 LEU 4 HB3 LEU 4 -4.667 -4.537 -1.763 19 HG LEU 4 HG LEU 4 -3.542 -6.797 -1.388 20 HD11 LEU 4 HD11 LEU 4 -6.062 -6.160 -1.907 21 HD12 LEU 4 HD12 LEU 4 -5.534 -7.835 -1.745 22 HD13 LEU 4 HD13 LEU 4 -5.745 -7.128 -3.348 23 HD21 LEU 4 HD21 LEU 4 -2.273 -6.605 -3.593 24 HD22 LEU 4 HD22 LEU 4 -3.792 -7.051 -4.370 25 HD23 LEU 4 HD23 LEU 4 -3.028 -8.157 -3.227 26 H SER 5 H SER 5 -1.852 -3.395 -3.138 27 HA SER 5 HA SER 5 -0.290 -4.765 -5.138 28 HB3 SER 5 HB3 SER 5 0.638 -2.614 -6.076 29 HG SER 5 HG SER 5 -1.193 -3.930 -6.998 30 H LYS 6 H LYS 6 1.674 -5.177 -4.355 31 HA LYS 6 HA LYS 6 2.410 -4.352 -1.748 32 HB3 LYS 6 HB3 LYS 6 3.132 -6.497 -2.612 33 HG3 LYS 6 HG3 LYS 6 5.316 -5.880 -4.257 34 HD3 LYS 6 HD3 LYS 6 3.765 -7.037 -5.989 35 HE3 LYS 6 HE3 LYS 6 4.219 -8.566 -3.444 36 HZ1 LYS 6 HZ1 LYS 6 3.322 -9.441 -5.767 37 HZ2 LYS 6 HZ2 LYS 6 4.306 -10.380 -4.761 38 HZ3 LYS 6 HZ3 LYS 6 4.981 -9.556 -6.074 39 H GLU 7 H GLU 7 4.225 -3.098 -1.091 40 HA GLU 7 HA GLU 7 5.505 -1.218 -1.082 41 HB3 GLU 7 HB3 GLU 7 6.131 -1.042 -3.896 42 HG3 GLU 7 HG3 GLU 7 7.689 -1.804 -1.447 43 H TYR 8 H TYR 8 5.925 0.842 -2.803 44 HA TYR 8 HA TYR 8 3.714 2.459 -2.495 45 HB3 TYR 8 HB3 TYR 8 5.927 3.357 -2.974 46 HD1 TYR 8 HD1 TYR 8 7.584 1.646 -3.644 47 HD2 TYR 8 HD2 TYR 8 4.958 3.437 -6.472 48 HE1 TYR 8 HE1 TYR 8 9.020 0.849 -5.474 49 HE2 TYR 8 HE2 TYR 8 6.387 2.642 -8.310 50 HH TYR 8 HH TYR 8 9.221 1.939 -8.263 51 H GLU 9 H GLU 9 1.797 2.595 -3.448 52 HA GLU 9 HA GLU 9 1.353 2.284 -6.216 53 HB3 GLU 9 HB3 GLU 9 -0.294 0.194 -5.486 54 HG3 GLU 9 HG3 GLU 9 1.920 -1.121 -6.421 55 H THR 10 H THR 10 -0.422 1.484 -3.224 56 HA THR 10 HA THR 10 -1.955 3.822 -3.148 57 HB THR 10 HB THR 10 -4.126 2.219 -3.770 58 HG1 THR 10 HG1 THR 10 -2.263 0.948 -4.863 59 HG21 THR 10 HG21 THR 10 -4.511 4.256 -4.619 60 HG22 THR 10 HG22 THR 10 -3.672 3.690 -6.063 61 HG23 THR 10 HG23 THR 10 -2.790 4.583 -4.824 62 H CYS 11 H CYS 11 -2.274 3.913 -1.029 63 HA CYS 11 HA CYS 11 -3.049 1.449 0.388 64 HB3 CYS 11 HB3 CYS 11 -0.849 2.522 1.020 65 H VAL 12 H VAL 12 -4.782 3.408 -1.022 66 HA VAL 12 HA VAL 12 -6.120 5.165 0.622 67 HB VAL 12 HB VAL 12 -6.496 4.599 -1.888 68 HG11 VAL 12 HG11 VAL 12 -8.657 2.895 -0.658 69 HG12 VAL 12 HG12 VAL 12 -8.370 3.178 -2.375 70 HG13 VAL 12 HG13 VAL 12 -7.202 2.259 -1.424 71 HG21 VAL 12 HG21 VAL 12 -9.141 5.179 -1.090 72 HG22 VAL 12 HG22 VAL 12 -8.067 5.912 0.101 73 HG23 VAL 12 HG23 VAL 12 -7.890 6.306 -1.610 74 H ARG 13 H ARG 13 -8.107 5.010 1.801 75 HA ARG 13 HA ARG 13 -8.186 3.080 3.759 76 HB3 ARG 13 HB3 ARG 13 -10.854 3.868 3.431 77 HG3 ARG 13 HG3 ARG 13 -9.615 5.856 4.964 78 HD3 ARG 13 HD3 ARG 13 -11.702 4.449 5.371 79 HE ARG 13 HE ARG 13 -11.251 2.241 5.716 80 HH11 ARG 13 HH11 ARG 13 -8.835 4.139 7.353 81 HH12 ARG 13 HH12 ARG 13 -8.089 2.773 8.112 82 HH21 ARG 13 HH22 ARG 13 -10.277 0.434 6.709 83 HH22 ARG 13 HH21 ARG 13 -8.909 0.666 7.745 84 HA PRO 14 HA PRO 14 -11.621 0.660 1.392 85 HB3 PRO 14 HB3 PRO 14 -13.011 2.111 0.277 86 HG3 PRO 14 HG3 PRO 14 -12.190 4.066 -0.676 87 HD3 PRO 14 HD3 PRO 14 -11.289 4.247 1.437 88 H ARG 15 H ARG 15 -9.397 -0.435 1.521 89 HA ARG 15 HA ARG 15 -9.009 -2.025 -0.733 90 HB3 ARG 15 HB3 ARG 15 -6.525 -0.467 -0.544 91 HG3 ARG 15 HG3 ARG 15 -8.093 -1.860 -2.604 92 HD3 ARG 15 HD3 ARG 15 -6.433 -0.455 -4.208 93 HE ARG 15 HE ARG 15 -9.253 -0.383 -3.784 94 HH11 ARG 15 HH11 ARG 15 -6.629 1.143 -5.488 95 HH12 ARG 15 HH12 ARG 15 -7.630 1.716 -6.781 96 HH21 ARG 15 HH22 ARG 15 -10.581 0.366 -5.480 97 HH22 ARG 15 HH21 ARG 15 -9.878 1.274 -6.776 98 H LYS 16 H LYS 16 -6.726 -0.484 1.537 99 HA LYS 16 HA LYS 16 -5.373 -1.342 3.152 100 HB3 LYS 16 HB3 LYS 16 -6.570 -3.838 3.761 101 HG3 LYS 16 HG3 LYS 16 -7.568 -2.506 5.693 102 HD3 LYS 16 HD3 LYS 16 -4.694 -2.866 5.040 103 HE3 LYS 16 HE3 LYS 16 -5.640 -1.433 7.522 104 HZ1 LYS 16 HZ1 LYS 16 -3.382 -1.367 8.146 105 HZ2 LYS 16 HZ2 LYS 16 -2.858 -1.972 6.657 106 HZ3 LYS 16 HZ3 LYS 16 -3.694 -2.977 7.730 107 H CYS 17 H CYS 17 -3.490 -1.844 2.179 108 HA CYS 17 HA CYS 17 -2.994 -3.731 0.240 109 HB3 CYS 17 HB3 CYS 17 -0.621 -3.775 1.294 110 H GLN 18 H GLN 18 -2.820 -5.886 0.158 111 HA GLN 18 HA GLN 18 -3.789 -7.563 2.115 112 HB3 GLN 18 HB3 GLN 18 -2.055 -9.210 0.792 113 HG3 GLN 18 HG3 GLN 18 -3.925 -9.294 -1.014 114 HE21 GLN 18 HE22 GLN 18 -5.198 -11.066 -0.776 115 HE22 GLN 18 HE21 GLN 18 -5.335 -11.962 0.695 116 HA PRO 19 HA PRO 19 0.706 -8.590 3.542 117 HB3 PRO 19 HB3 PRO 19 2.161 -8.514 1.766 118 HG3 PRO 19 HG3 PRO 19 1.873 -6.978 0.044 119 HD3 PRO 19 HD3 PRO 19 -0.254 -7.859 0.149 120 HA PRO 20 HA PRO 20 1.047 -5.555 6.706 121 HB3 PRO 20 HB3 PRO 20 2.368 -7.026 7.876 122 HG3 PRO 20 HG3 PRO 20 3.946 -8.346 6.790 123 HD3 PRO 20 HD3 PRO 20 2.100 -8.772 5.476 124 H LEU 21 H LEU 21 0.833 -3.862 4.957 125 HA LEU 21 HA LEU 21 3.331 -2.347 4.607 126 HB3 LEU 21 HB3 LEU 21 1.743 -1.102 2.911 127 HG LEU 21 HG LEU 21 2.217 -2.832 1.107 128 HD11 LEU 21 HD11 LEU 21 4.134 -1.283 2.721 129 HD12 LEU 21 HD12 LEU 21 3.791 -1.224 0.992 130 HD13 LEU 21 HD13 LEU 21 4.830 -2.492 1.642 131 HD21 LEU 21 HD21 LEU 21 2.305 -4.739 2.742 132 HD22 LEU 21 HD22 LEU 21 3.863 -4.110 3.280 133 HD23 LEU 21 HD23 LEU 21 3.659 -4.651 1.614 134 H LYS 22 H LYS 22 2.647 0.135 4.221 135 HA LYS 22 HA LYS 22 0.598 1.090 5.989 136 HB3 LYS 22 HB3 LYS 22 3.183 2.173 6.868 137 HG3 LYS 22 HG3 LYS 22 0.617 1.345 8.103 138 HD3 LYS 22 HD3 LYS 22 2.955 0.483 9.271 139 HE3 LYS 22 HE3 LYS 22 2.737 2.120 11.375 140 HZ1 LYS 22 HZ1 LYS 22 4.472 3.091 9.224 141 HZ2 LYS 22 HZ2 LYS 22 4.713 1.517 9.794 142 HZ3 LYS 22 HZ3 LYS 22 4.825 2.829 10.857 143 H CYS 23 H CYS 23 0.218 3.318 5.778 144 HA CYS 23 HA CYS 23 1.002 4.426 3.274 145 HB3 CYS 23 HB3 CYS 23 -0.268 6.444 4.093 146 H ASN 24 H ASN 24 1.505 7.010 3.514 147 HA ASN 24 HA ASN 24 3.854 7.250 5.268 148 HB3 ASN 24 HB3 ASN 24 4.869 6.854 3.190 149 HD21 ASN 24 HD22 ASN 24 4.125 9.712 1.668 150 HD22 ASN 24 HD21 ASN 24 3.109 9.094 0.414 151 H LYS 25 H LYS 25 1.823 9.153 3.035 152 HA LYS 25 HA LYS 25 0.795 10.893 4.947 153 HB3 LYS 25 HB3 LYS 25 2.701 12.586 3.516 154 HG3 LYS 25 HG3 LYS 25 1.564 12.357 6.223 155 HD3 LYS 25 HD3 LYS 25 4.377 13.202 5.691 156 HE3 LYS 25 HE3 LYS 25 2.458 14.508 7.600 157 HZ1 LYS 25 HZ1 LYS 25 5.417 14.681 7.727 158 HZ2 LYS 25 HZ2 LYS 25 4.482 13.751 8.786 159 HZ3 LYS 25 HZ3 LYS 25 4.305 15.432 8.756 160 H ALA 26 H ALA 26 0.035 9.528 2.545 161 HA ALA 26 HA ALA 26 -1.423 11.636 1.277 162 HB1 ALA 26 HB1 ALA 26 0.829 10.322 -0.219 163 HB2 ALA 26 HB2 ALA 26 -0.534 11.086 -1.037 164 HB3 ALA 26 HB3 ALA 26 0.518 12.043 0.007 165 H GLN 27 H GLN 27 -0.262 8.570 -0.085 166 HA GLN 27 HA GLN 27 -2.431 6.971 0.647 167 HB3 GLN 27 HB3 GLN 27 -3.123 7.159 -2.067 168 HG3 GLN 27 HG3 GLN 27 -4.718 8.569 0.017 169 HE21 GLN 27 HE22 GLN 27 -6.594 9.086 -0.827 170 HE22 GLN 27 HE21 GLN 27 -7.352 8.325 -2.181 171 H ILE 28 H ILE 28 0.405 6.818 0.252 172 HA ILE 28 HA ILE 28 0.554 4.756 -1.849 173 HB ILE 28 HB ILE 28 2.923 6.229 -0.717 174 HG13 ILE 28 HG13 ILE 28 2.854 7.648 -2.736 175 HG21 ILE 28 HG21 ILE 28 3.697 4.322 -1.774 176 HG22 ILE 28 HG22 ILE 28 2.445 4.377 -3.015 177 HG23 ILE 28 HG23 ILE 28 3.783 5.525 -3.060 178 HD11 ILE 28 HD11 ILE 28 0.161 7.515 -3.481 179 HD12 ILE 28 HD12 ILE 28 1.576 7.138 -4.463 180 HD13 ILE 28 HD13 ILE 28 0.773 5.862 -3.547 181 H CYS 29 H CYS 29 1.087 2.736 -1.280 182 HA CYS 29 HA CYS 29 1.309 2.077 1.502 183 HB3 CYS 29 HB3 CYS 29 1.940 -0.192 -0.056 184 H VAL 30 H VAL 30 3.074 1.497 2.651 185 HA VAL 30 HA VAL 30 5.539 0.695 1.478 186 HB VAL 30 HB VAL 30 6.624 2.844 2.742 187 HG11 VAL 30 HG11 VAL 30 6.281 1.907 0.052 188 HG12 VAL 30 HG12 VAL 30 6.273 3.672 0.084 189 HG13 VAL 30 HG13 VAL 30 7.635 2.782 0.765 190 HG21 VAL 30 HG21 VAL 30 4.311 3.793 3.004 191 HG22 VAL 30 HG22 VAL 30 5.460 4.841 2.173 192 HG23 VAL 30 HG23 VAL 30 4.252 3.949 1.249 193 H ASP 31 H ASP 31 7.358 0.973 3.301 194 HA ASP 31 HA ASP 31 6.596 0.982 6.002 195 HB3 ASP 31 HB3 ASP 31 5.449 -1.018 5.886 196 HA PRO 32 HA PRO 32 10.946 1.104 6.538 197 HB3 PRO 32 HB3 PRO 32 10.561 1.601 8.749 198 HG3 PRO 32 HG3 PRO 32 8.831 0.586 9.922 199 HD3 PRO 32 HD3 PRO 32 7.682 1.287 8.050 200 H LYS 33 H LYS 33 9.316 -1.945 6.676 201 HA LYS 33 HA LYS 33 11.508 -3.671 7.005 202 HB3 LYS 33 HB3 LYS 33 9.824 -5.122 5.432 203 HG3 LYS 33 HG3 LYS 33 9.346 -4.502 8.341 204 HD3 LYS 33 HD3 LYS 33 7.538 -5.732 6.982 205 HE3 LYS 33 HE3 LYS 33 9.502 -7.181 5.954 206 HZ1 LYS 33 HZ1 LYS 33 10.337 -8.219 7.862 207 HZ2 LYS 33 HZ2 LYS 33 9.385 -9.403 7.119 208 HZ3 LYS 33 HZ3 LYS 33 8.798 -8.571 8.469 209 H LYS 34 H LYS 34 9.973 -2.404 4.062 210 HA LYS 34 HA LYS 34 12.380 -2.249 2.620 211 HB3 LYS 34 HB3 LYS 34 10.672 -4.676 2.066 212 HG3 LYS 34 HG3 LYS 34 12.689 -3.316 0.334 213 HD3 LYS 34 HD3 LYS 34 11.993 -6.168 -0.164 214 HE3 LYS 34 HE3 LYS 34 13.363 -4.429 -1.618 215 HZ1 LYS 34 HZ1 LYS 34 15.054 -4.771 0.557 216 HZ2 LYS 34 HZ2 LYS 34 15.390 -3.973 -0.896 217 HZ3 LYS 34 HZ3 LYS 34 15.758 -5.615 -0.730 218 H GLY 35 H GLY 35 11.441 -0.219 2.185 219 HA2 GLY 35 HA2 GLY 35 9.338 -0.326 0.114 220 HA3 GLY 35 HA3 GLY 35 9.294 0.872 1.399 221 H TRP 36 H TRP 36 9.170 2.148 -0.748 222 HA TRP 36 HA TRP 36 11.864 2.700 -1.775 223 HB3 TRP 36 HB3 TRP 36 9.399 3.934 -2.938 224 HD1 TRP 36 HD1 TRP 36 11.956 1.653 -4.677 225 HE1 TRP 36 HE1 TRP 36 13.265 3.058 -6.391 226 HE3 TRP 36 HE3 TRP 36 10.112 6.278 -3.512 227 HZ2 TRP 36 HZ2 TRP 36 13.487 5.768 -7.149 228 HZ3 TRP 36 HZ3 TRP 36 10.926 8.224 -4.778 229 HH2 TRP 36 HH2 TRP 36 12.578 7.974 -6.558 Start of MODEL 7 1 H1 ASP 1 H1 ASP 1 -10.576 -3.753 -6.709 2 HA ASP 1 HA ASP 1 -12.184 -2.380 -8.150 3 HB3 ASP 1 HB3 ASP 1 -13.124 -0.460 -6.700 4 H PHE 2 H PHE 2 -10.434 -1.236 -5.260 5 HA PHE 2 HA PHE 2 -9.093 0.790 -6.862 6 HB3 PHE 2 HB3 PHE 2 -8.000 1.168 -4.469 7 HD1 PHE 2 HD2 PHE 2 -11.702 1.099 -4.604 8 HD2 PHE 2 HD1 PHE 2 -8.167 3.439 -4.981 9 HE1 PHE 2 HE2 PHE 2 -13.068 3.143 -4.701 10 HE2 PHE 2 HE1 PHE 2 -9.528 5.486 -5.079 11 HZ PHE 2 HZ PHE 2 -11.983 5.340 -4.941 12 HA PRO 3 HA PRO 3 -5.276 -1.300 -7.410 13 HB3 PRO 3 HB3 PRO 3 -4.492 0.598 -8.441 14 HG3 PRO 3 HG3 PRO 3 -5.056 2.712 -7.650 15 HD3 PRO 3 HD3 PRO 3 -7.150 1.755 -7.757 16 H LEU 4 H LEU 4 -4.771 -2.804 -5.919 17 HA LEU 4 HA LEU 4 -4.040 -1.989 -3.215 18 HB3 LEU 4 HB3 LEU 4 -4.649 -4.627 -4.508 19 HG LEU 4 HG LEU 4 -2.966 -4.322 -2.204 20 HD11 LEU 4 HD11 LEU 4 -5.765 -4.997 -1.668 21 HD12 LEU 4 HD12 LEU 4 -4.492 -4.465 -0.571 22 HD13 LEU 4 HD13 LEU 4 -4.598 -6.161 -1.041 23 HD21 LEU 4 HD21 LEU 4 -2.302 -6.332 -2.900 24 HD22 LEU 4 HD22 LEU 4 -3.422 -6.126 -4.246 25 HD23 LEU 4 HD23 LEU 4 -3.934 -6.994 -2.798 26 H SER 5 H SER 5 -2.710 -4.608 -5.204 27 HA SER 5 HA SER 5 -0.565 -5.335 -5.479 28 HB3 SER 5 HB3 SER 5 0.536 -2.593 -5.605 29 HG SER 5 HG SER 5 0.381 -4.326 -7.781 30 H LYS 6 H LYS 6 1.900 -4.350 -4.810 31 HA LYS 6 HA LYS 6 1.765 -4.138 -1.874 32 HB3 LYS 6 HB3 LYS 6 2.569 -6.313 -2.292 33 HG3 LYS 6 HG3 LYS 6 4.337 -5.112 -4.409 34 HD3 LYS 6 HD3 LYS 6 4.641 -7.847 -4.509 35 HE3 LYS 6 HE3 LYS 6 6.484 -5.963 -3.052 36 HZ1 LYS 6 HZ1 LYS 6 6.779 -8.567 -4.347 37 HZ2 LYS 6 HZ2 LYS 6 7.546 -7.952 -2.970 38 HZ3 LYS 6 HZ3 LYS 6 8.053 -7.466 -4.509 39 H GLU 7 H GLU 7 3.868 -3.287 -0.929 40 HA GLU 7 HA GLU 7 5.207 -1.465 -0.645 41 HB3 GLU 7 HB3 GLU 7 6.117 -1.295 -3.412 42 HG3 GLU 7 HG3 GLU 7 7.455 -2.082 -0.837 43 H TYR 8 H TYR 8 6.006 0.596 -2.289 44 HA TYR 8 HA TYR 8 4.001 2.448 -2.078 45 HB3 TYR 8 HB3 TYR 8 6.318 3.073 -2.499 46 HD1 TYR 8 HD1 TYR 8 7.677 1.064 -3.154 47 HD2 TYR 8 HD2 TYR 8 5.544 3.393 -6.006 48 HE1 TYR 8 HE1 TYR 8 9.049 0.105 -4.955 49 HE2 TYR 8 HE2 TYR 8 6.909 2.439 -7.815 50 HH TYR 8 HH TYR 8 8.589 1.089 -8.339 51 H GLU 9 H GLU 9 2.071 2.606 -2.987 52 HA GLU 9 HA GLU 9 1.678 2.420 -5.801 53 HB3 GLU 9 HB3 GLU 9 0.570 0.202 -4.075 54 HG3 GLU 9 HG3 GLU 9 -1.192 0.628 -5.538 55 H THR 10 H THR 10 -0.521 1.534 -3.159 56 HA THR 10 HA THR 10 -1.671 4.051 -2.759 57 HB THR 10 HB THR 10 -3.927 3.034 -4.004 58 HG1 THR 10 HG1 THR 10 -2.926 1.601 -5.316 59 HG21 THR 10 HG21 THR 10 -3.933 5.041 -5.067 60 HG22 THR 10 HG22 THR 10 -2.249 4.902 -5.572 61 HG23 THR 10 HG23 THR 10 -2.638 5.385 -3.921 62 H CYS 11 H CYS 11 -2.494 3.854 -0.791 63 HA CYS 11 HA CYS 11 -3.873 1.349 -0.084 64 HB3 CYS 11 HB3 CYS 11 -1.828 1.328 1.130 65 H VAL 12 H VAL 12 -5.884 2.279 -0.640 66 HA VAL 12 HA VAL 12 -6.766 4.695 0.677 67 HB VAL 12 HB VAL 12 -8.692 2.876 -0.687 68 HG11 VAL 12 HG11 VAL 12 -8.603 5.575 0.185 69 HG12 VAL 12 HG12 VAL 12 -8.771 5.572 -1.571 70 HG13 VAL 12 HG13 VAL 12 -9.939 4.707 -0.571 71 HG21 VAL 12 HG21 VAL 12 -7.884 4.151 -2.843 72 HG22 VAL 12 HG22 VAL 12 -6.347 4.183 -1.976 73 HG23 VAL 12 HG23 VAL 12 -7.122 2.641 -2.342 74 H ARG 13 H ARG 13 -8.891 4.683 1.854 75 HA ARG 13 HA ARG 13 -8.749 3.281 4.213 76 HB3 ARG 13 HB3 ARG 13 -11.509 3.717 3.659 77 HG3 ARG 13 HG3 ARG 13 -10.173 5.933 4.969 78 HD3 ARG 13 HD3 ARG 13 -12.581 5.147 5.161 79 HE ARG 13 HE ARG 13 -12.711 2.952 5.813 80 HH11 ARG 13 HH11 ARG 13 -10.444 4.632 7.852 81 HH12 ARG 13 HH12 ARG 13 -10.274 3.319 8.968 82 HH21 ARG 13 HH22 ARG 13 -12.496 1.215 7.275 83 HH22 ARG 13 HH21 ARG 13 -11.442 1.375 8.639 84 HA PRO 14 HA PRO 14 -11.920 0.032 2.569 85 HB3 PRO 14 HB3 PRO 14 -13.414 1.012 1.125 86 HG3 PRO 14 HG3 PRO 14 -12.756 2.731 -0.297 87 HD3 PRO 14 HD3 PRO 14 -11.923 3.527 1.700 88 H ARG 15 H ARG 15 -9.702 0.910 -0.087 89 HA ARG 15 HA ARG 15 -9.094 -1.620 -0.998 90 HB3 ARG 15 HB3 ARG 15 -7.261 0.777 -0.810 91 HG3 ARG 15 HG3 ARG 15 -6.068 -1.359 -1.314 92 HD3 ARG 15 HD3 ARG 15 -6.426 -2.072 -3.768 93 HE ARG 15 HE ARG 15 -7.365 -3.218 -1.518 94 HH11 ARG 15 HH11 ARG 15 -8.725 -2.787 -4.694 95 HH12 ARG 15 HH12 ARG 15 -9.680 -4.230 -4.624 96 HH21 ARG 15 HH22 ARG 15 -8.618 -5.121 -1.414 97 HH22 ARG 15 HH21 ARG 15 -9.619 -5.557 -2.757 98 H LYS 16 H LYS 16 -6.708 0.179 0.916 99 HA LYS 16 HA LYS 16 -5.264 -0.459 2.554 100 HB3 LYS 16 HB3 LYS 16 -6.839 -2.892 3.229 101 HG3 LYS 16 HG3 LYS 16 -5.747 -0.616 4.870 102 HD3 LYS 16 HD3 LYS 16 -7.889 -1.935 5.635 103 HE3 LYS 16 HE3 LYS 16 -6.312 -3.762 7.138 104 HZ1 LYS 16 HZ1 LYS 16 -8.614 -4.116 6.765 105 HZ2 LYS 16 HZ2 LYS 16 -7.795 -5.387 6.004 106 HZ3 LYS 16 HZ3 LYS 16 -8.421 -4.114 5.084 107 H CYS 17 H CYS 17 -3.358 -1.224 1.944 108 HA CYS 17 HA CYS 17 -2.828 -3.086 0.008 109 HB3 CYS 17 HB3 CYS 17 -0.631 -3.436 1.453 110 H GLN 18 H GLN 18 -2.443 -5.276 -0.082 111 HA GLN 18 HA GLN 18 -3.877 -6.900 1.753 112 HB3 GLN 18 HB3 GLN 18 -2.078 -8.476 0.189 113 HG3 GLN 18 HG3 GLN 18 -4.559 -8.391 -1.104 114 HE21 GLN 18 HE22 GLN 18 -5.655 -10.175 1.139 115 HE22 GLN 18 HE21 GLN 18 -4.799 -11.660 0.921 116 HA PRO 19 HA PRO 19 0.471 -8.514 3.095 117 HB3 PRO 19 HB3 PRO 19 1.930 -8.495 1.320 118 HG3 PRO 19 HG3 PRO 19 1.818 -6.836 -0.306 119 HD3 PRO 19 HD3 PRO 19 -0.393 -7.481 -0.245 120 HA PRO 20 HA PRO 20 1.129 -5.729 6.433 121 HB3 PRO 20 HB3 PRO 20 2.257 -7.412 7.517 122 HG3 PRO 20 HG3 PRO 20 3.678 -8.843 6.358 123 HD3 PRO 20 HD3 PRO 20 1.807 -8.971 5.018 124 H LEU 21 H LEU 21 1.113 -3.874 4.903 125 HA LEU 21 HA LEU 21 3.779 -2.637 4.677 126 HB3 LEU 21 HB3 LEU 21 2.464 -1.190 2.926 127 HG LEU 21 HG LEU 21 2.878 -2.843 1.082 128 HD11 LEU 21 HD11 LEU 21 5.373 -2.903 1.506 129 HD12 LEU 21 HD12 LEU 21 5.031 -2.149 3.062 130 HD13 LEU 21 HD13 LEU 21 4.607 -1.316 1.567 131 HD21 LEU 21 HD21 LEU 21 4.158 -4.567 3.172 132 HD22 LEU 21 HD22 LEU 21 3.768 -4.952 1.496 133 HD23 LEU 21 HD23 LEU 21 2.479 -4.812 2.692 134 H LYS 22 H LYS 22 3.363 -0.091 4.357 135 HA LYS 22 HA LYS 22 1.404 0.847 6.317 136 HB3 LYS 22 HB3 LYS 22 3.318 2.384 7.193 137 HG3 LYS 22 HG3 LYS 22 3.346 -0.540 7.917 138 HD3 LYS 22 HD3 LYS 22 4.727 1.815 8.962 139 HE3 LYS 22 HE3 LYS 22 2.854 0.259 10.675 140 HZ1 LYS 22 HZ1 LYS 22 5.520 1.223 11.556 141 HZ2 LYS 22 HZ2 LYS 22 4.941 -0.365 11.617 142 HZ3 LYS 22 HZ3 LYS 22 4.259 0.821 12.610 143 H CYS 23 H CYS 23 0.771 2.999 6.055 144 HA CYS 23 HA CYS 23 1.321 4.082 3.407 145 HB3 CYS 23 HB3 CYS 23 -0.566 5.591 3.867 146 H ASN 24 H ASN 24 0.991 6.731 3.653 147 HA ASN 24 HA ASN 24 2.884 7.689 5.668 148 HB3 ASN 24 HB3 ASN 24 4.541 7.879 4.174 149 HD21 ASN 24 HD22 ASN 24 5.279 6.397 2.856 150 HD22 ASN 24 HD21 ASN 24 4.471 5.768 1.464 151 H LYS 25 H LYS 25 1.500 9.149 2.738 152 HA LYS 25 HA LYS 25 -0.487 10.623 4.164 153 HB3 LYS 25 HB3 LYS 25 1.430 11.933 4.869 154 HG3 LYS 25 HG3 LYS 25 2.043 12.831 2.109 155 HD3 LYS 25 HD3 LYS 25 3.544 12.546 4.704 156 HE3 LYS 25 HE3 LYS 25 4.552 13.126 1.937 157 HZ1 LYS 25 HZ1 LYS 25 5.797 13.945 4.505 158 HZ2 LYS 25 HZ2 LYS 25 5.300 14.965 3.250 159 HZ3 LYS 25 HZ3 LYS 25 6.604 13.913 3.018 160 H ALA 26 H ALA 26 1.484 10.294 1.261 161 HA ALA 26 HA ALA 26 -0.611 11.450 -0.398 162 HB1 ALA 26 HB1 ALA 26 1.188 10.642 -2.196 163 HB2 ALA 26 HB2 ALA 26 1.342 12.157 -1.307 164 HB3 ALA 26 HB3 ALA 26 2.234 10.730 -0.779 165 H GLN 27 H GLN 27 -0.743 8.772 1.081 166 HA GLN 27 HA GLN 27 -1.762 6.766 0.740 167 HB3 GLN 27 HB3 GLN 27 -3.217 6.486 -1.111 168 HG3 GLN 27 HG3 GLN 27 -3.265 8.882 0.300 169 HE21 GLN 27 HE22 GLN 27 -4.847 8.783 -2.828 170 HE22 GLN 27 HE21 GLN 27 -4.317 10.341 -3.357 171 H ILE 28 H ILE 28 0.764 6.405 0.767 172 HA ILE 28 HA ILE 28 1.348 4.672 -1.536 173 HB ILE 28 HB ILE 28 3.533 6.200 -0.156 174 HG13 ILE 28 HG13 ILE 28 3.443 7.876 -1.929 175 HG21 ILE 28 HG21 ILE 28 4.285 5.817 -2.732 176 HG22 ILE 28 HG22 ILE 28 4.659 4.715 -1.408 177 HG23 ILE 28 HG23 ILE 28 3.276 4.397 -2.456 178 HD11 ILE 28 HD11 ILE 28 1.417 6.096 -3.060 179 HD12 ILE 28 HD12 ILE 28 0.985 7.805 -3.061 180 HD13 ILE 28 HD13 ILE 28 2.471 7.270 -3.846 181 H CYS 29 H CYS 29 1.844 2.657 -0.975 182 HA CYS 29 HA CYS 29 2.050 1.940 1.801 183 HB3 CYS 29 HB3 CYS 29 2.678 -0.325 0.318 184 H VAL 30 H VAL 30 3.807 1.080 2.878 185 HA VAL 30 HA VAL 30 6.306 0.548 1.617 186 HB VAL 30 HB VAL 30 7.349 2.452 3.221 187 HG11 VAL 30 HG11 VAL 30 7.024 2.003 0.437 188 HG12 VAL 30 HG12 VAL 30 6.822 3.730 0.742 189 HG13 VAL 30 HG13 VAL 30 8.292 2.907 1.265 190 HG21 VAL 30 HG21 VAL 30 6.117 4.513 3.006 191 HG22 VAL 30 HG22 VAL 30 4.856 3.703 2.075 192 HG23 VAL 30 HG23 VAL 30 5.088 3.306 3.777 193 H ASP 31 H ASP 31 8.094 0.451 3.435 194 HA ASP 31 HA ASP 31 7.432 0.074 6.111 195 HB3 ASP 31 HB3 ASP 31 7.805 -2.658 5.544 196 HA PRO 32 HA PRO 32 11.787 -0.320 6.435 197 HB3 PRO 32 HB3 PRO 32 11.539 -0.129 8.711 198 HG3 PRO 32 HG3 PRO 32 9.754 -1.136 9.811 199 HD3 PRO 32 HD3 PRO 32 8.618 -0.050 8.125 200 H LYS 33 H LYS 33 9.971 -3.341 6.695 201 HA LYS 33 HA LYS 33 12.247 -4.997 6.119 202 HB3 LYS 33 HB3 LYS 33 9.740 -6.313 5.604 203 HG3 LYS 33 HG3 LYS 33 11.769 -6.519 7.813 204 HD3 LYS 33 HD3 LYS 33 9.521 -8.445 7.259 205 HE3 LYS 33 HE3 LYS 33 11.657 -9.235 8.353 206 HZ1 LYS 33 HZ1 LYS 33 11.117 -7.014 10.017 207 HZ2 LYS 33 HZ2 LYS 33 12.467 -8.033 10.009 208 HZ3 LYS 33 HZ3 LYS 33 11.114 -8.430 10.941 209 H LYS 34 H LYS 34 9.689 -3.478 4.296 210 HA LYS 34 HA LYS 34 11.063 -4.074 1.826 211 HB3 LYS 34 HB3 LYS 34 8.268 -5.101 2.343 212 HG3 LYS 34 HG3 LYS 34 9.652 -4.500 -0.185 213 HD3 LYS 34 HD3 LYS 34 7.967 -6.567 -0.905 214 HE3 LYS 34 HE3 LYS 34 10.819 -5.977 -0.951 215 HZ1 LYS 34 HZ1 LYS 34 10.300 -8.769 -1.578 216 HZ2 LYS 34 HZ2 LYS 34 10.426 -8.390 0.065 217 HZ3 LYS 34 HZ3 LYS 34 11.704 -8.035 -0.985 218 H GLY 35 H GLY 35 11.296 -1.899 1.470 219 HA2 GLY 35 HA2 GLY 35 8.894 -0.514 0.580 220 HA3 GLY 35 HA3 GLY 35 9.758 0.233 1.915 221 H TRP 36 H TRP 36 11.547 1.428 1.511 222 HA TRP 36 HA TRP 36 12.296 1.723 -1.316 223 HB3 TRP 36 HB3 TRP 36 13.067 3.695 0.805 224 HD1 TRP 36 HD1 TRP 36 11.122 4.249 -2.474 225 HE1 TRP 36 HE1 TRP 36 12.568 5.697 -4.035 226 HE3 TRP 36 HE3 TRP 36 15.400 4.428 0.318 227 HZ2 TRP 36 HZ2 TRP 36 15.178 6.773 -4.077 228 HZ3 TRP 36 HZ3 TRP 36 17.326 5.687 -0.553 229 HH2 TRP 36 HH2 TRP 36 17.215 6.834 -2.706 Start of MODEL 8 1 H1 ASP 1 H1 ASP 1 -13.569 -4.943 -4.666 2 HA ASP 1 HA ASP 1 -15.233 -4.727 -2.510 3 HB3 ASP 1 HB3 ASP 1 -14.137 -7.532 -2.489 4 H PHE 2 H PHE 2 -13.586 -3.183 -2.167 5 HA PHE 2 HA PHE 2 -11.652 -2.347 -1.302 6 HB3 PHE 2 HB3 PHE 2 -10.816 -3.428 0.694 7 HD1 PHE 2 HD2 PHE 2 -12.841 -1.438 0.337 8 HD2 PHE 2 HD1 PHE 2 -13.234 -5.432 1.758 9 HE1 PHE 2 HE2 PHE 2 -14.860 -0.792 1.586 10 HE2 PHE 2 HE1 PHE 2 -15.254 -4.791 3.009 11 HZ PHE 2 HZ PHE 2 -16.069 -2.469 2.925 12 HA PRO 3 HA PRO 3 -9.062 -4.912 -4.180 13 HB3 PRO 3 HB3 PRO 3 -9.788 -3.728 -6.009 14 HG3 PRO 3 HG3 PRO 3 -10.657 -1.582 -5.782 15 HD3 PRO 3 HD3 PRO 3 -11.889 -2.682 -4.174 16 H LEU 4 H LEU 4 -7.495 -5.302 -2.614 17 HA LEU 4 HA LEU 4 -5.930 -3.410 -1.304 18 HB3 LEU 4 HB3 LEU 4 -6.163 -5.976 -0.975 19 HG LEU 4 HG LEU 4 -3.545 -6.009 -2.459 20 HD11 LEU 4 HD11 LEU 4 -3.253 -7.869 -1.287 21 HD12 LEU 4 HD12 LEU 4 -4.630 -8.564 -2.140 22 HD13 LEU 4 HD13 LEU 4 -4.871 -7.750 -0.594 23 HD21 LEU 4 HD21 LEU 4 -4.966 -5.885 -4.259 24 HD22 LEU 4 HD22 LEU 4 -6.307 -6.634 -3.393 25 HD23 LEU 4 HD23 LEU 4 -4.962 -7.624 -3.960 26 H SER 5 H SER 5 -3.377 -3.543 -1.625 27 HA SER 5 HA SER 5 -2.498 -3.550 -4.356 28 HB3 SER 5 HB3 SER 5 -1.770 -1.106 -4.256 29 HG SER 5 HG SER 5 -3.446 -0.843 -5.478 30 H LYS 6 H LYS 6 -0.381 -3.993 -4.442 31 HA LYS 6 HA LYS 6 1.076 -4.555 -2.097 32 HB3 LYS 6 HB3 LYS 6 3.011 -4.848 -3.652 33 HG3 LYS 6 HG3 LYS 6 1.196 -6.245 -5.322 34 HD3 LYS 6 HD3 LYS 6 2.031 -8.193 -3.965 35 HE3 LYS 6 HE3 LYS 6 4.260 -6.345 -4.780 36 HZ1 LYS 6 HZ1 LYS 6 4.428 -8.828 -3.888 37 HZ2 LYS 6 HZ2 LYS 6 5.482 -8.204 -5.056 38 HZ3 LYS 6 HZ3 LYS 6 4.166 -9.156 -5.526 39 H GLU 7 H GLU 7 3.572 -3.632 -2.266 40 HA GLU 7 HA GLU 7 3.549 -1.178 -1.032 41 HB3 GLU 7 HB3 GLU 7 5.782 -2.319 -2.721 42 HG3 GLU 7 HG3 GLU 7 5.655 -0.034 -0.866 43 H TYR 8 H TYR 8 4.029 0.946 -1.675 44 HA TYR 8 HA TYR 8 3.920 2.795 -2.994 45 HB3 TYR 8 HB3 TYR 8 4.844 2.704 -5.210 46 HD1 TYR 8 HD2 TYR 8 6.103 3.071 -2.622 47 HD2 TYR 8 HD1 TYR 8 6.666 -0.037 -5.473 48 HE1 TYR 8 HE2 TYR 8 8.370 2.687 -1.749 49 HE2 TYR 8 HE1 TYR 8 8.934 -0.429 -4.607 50 HH TYR 8 HH TYR 8 10.469 0.172 -3.127 51 H GLU 9 H GLU 9 3.009 3.229 -5.561 52 HA GLU 9 HA GLU 9 1.134 3.406 -6.845 53 HB3 GLU 9 HB3 GLU 9 -0.566 1.355 -5.850 54 HG3 GLU 9 HG3 GLU 9 1.248 1.361 -8.252 55 H THR 10 H THR 10 -0.333 1.987 -3.939 56 HA THR 10 HA THR 10 -1.132 4.401 -2.743 57 HB THR 10 HB THR 10 -2.537 4.545 -4.814 58 HG1 THR 10 HG1 THR 10 -4.444 5.058 -3.607 59 HG21 THR 10 HG21 THR 10 -4.049 2.965 -5.412 60 HG22 THR 10 HG22 THR 10 -4.420 2.535 -3.742 61 HG23 THR 10 HG23 THR 10 -2.967 1.902 -4.514 62 H CYS 11 H CYS 11 -3.165 3.948 -1.258 63 HA CYS 11 HA CYS 11 -3.675 1.275 -0.472 64 HB3 CYS 11 HB3 CYS 11 -1.362 1.404 0.348 65 H VAL 12 H VAL 12 -5.267 3.477 -1.037 66 HA VAL 12 HA VAL 12 -6.102 4.954 1.203 67 HB VAL 12 HB VAL 12 -8.220 5.309 -0.063 68 HG11 VAL 12 HG11 VAL 12 -6.667 6.928 -0.565 69 HG12 VAL 12 HG12 VAL 12 -5.526 5.773 -1.256 70 HG13 VAL 12 HG13 VAL 12 -6.966 6.242 -2.162 71 HG21 VAL 12 HG21 VAL 12 -8.229 3.037 -1.111 72 HG22 VAL 12 HG22 VAL 12 -8.533 4.362 -2.234 73 HG23 VAL 12 HG23 VAL 12 -6.948 3.591 -2.188 74 H ARG 13 H ARG 13 -8.673 4.707 1.709 75 HA ARG 13 HA ARG 13 -8.921 2.687 3.556 76 HB3 ARG 13 HB3 ARG 13 -11.533 3.111 2.735 77 HG3 ARG 13 HG3 ARG 13 -10.515 3.410 5.030 78 HD3 ARG 13 HD3 ARG 13 -9.240 5.567 3.720 79 HE ARG 13 HE ARG 13 -11.415 6.509 5.357 80 HH11 ARG 13 HH11 ARG 13 -8.214 7.168 4.158 81 HH12 ARG 13 HH12 ARG 13 -8.348 8.883 4.366 82 HH21 ARG 13 HH22 ARG 13 -11.605 8.765 5.635 83 HH22 ARG 13 HH21 ARG 13 -10.277 9.790 5.206 84 HA PRO 14 HA PRO 14 -11.372 -0.015 0.395 85 HB3 PRO 14 HB3 PRO 14 -12.601 1.308 -1.025 86 HG3 PRO 14 HG3 PRO 14 -11.804 3.378 -1.725 87 HD3 PRO 14 HD3 PRO 14 -11.491 3.581 0.548 88 H ARG 15 H ARG 15 -8.300 1.338 -0.049 89 HA ARG 15 HA ARG 15 -7.407 -0.994 -1.611 90 HB3 ARG 15 HB3 ARG 15 -5.675 1.411 -1.313 91 HG3 ARG 15 HG3 ARG 15 -5.461 -0.869 -2.794 92 HD3 ARG 15 HD3 ARG 15 -7.279 -0.163 -4.282 93 HE ARG 15 HE ARG 15 -6.373 2.374 -4.102 94 HH11 ARG 15 HH11 ARG 15 -6.757 0.165 -6.764 95 HH12 ARG 15 HH12 ARG 15 -7.053 1.413 -7.928 96 HH21 ARG 15 HH22 ARG 15 -6.761 4.028 -5.625 97 HH22 ARG 15 HH21 ARG 15 -7.055 3.610 -7.279 98 H LYS 16 H LYS 16 -7.844 -1.116 1.191 99 HA LYS 16 HA LYS 16 -5.717 -0.666 2.860 100 HB3 LYS 16 HB3 LYS 16 -7.650 -1.519 3.870 101 HG3 LYS 16 HG3 LYS 16 -7.578 -3.578 1.736 102 HD3 LYS 16 HD3 LYS 16 -9.462 -4.584 3.420 103 HE3 LYS 16 HE3 LYS 16 -7.277 -6.093 4.082 104 HZ1 LYS 16 HZ1 LYS 16 -9.253 -6.897 2.954 105 HZ2 LYS 16 HZ2 LYS 16 -7.860 -7.427 2.154 106 HZ3 LYS 16 HZ3 LYS 16 -8.769 -6.153 1.514 107 H CYS 17 H CYS 17 -3.771 -1.587 3.282 108 HA CYS 17 HA CYS 17 -2.626 -3.253 1.236 109 HB3 CYS 17 HB3 CYS 17 -0.704 -3.137 3.149 110 H GLN 18 H GLN 18 -3.086 -5.356 1.213 111 HA GLN 18 HA GLN 18 -3.960 -6.876 3.391 112 HB3 GLN 18 HB3 GLN 18 -2.975 -7.466 0.653 113 HG3 GLN 18 HG3 GLN 18 -3.003 -9.481 2.857 114 HE21 GLN 18 HE22 GLN 18 -1.866 -11.237 0.662 115 HE22 GLN 18 HE21 GLN 18 -3.261 -11.959 -0.058 116 HA PRO 19 HA PRO 19 0.546 -8.592 3.743 117 HB3 PRO 19 HB3 PRO 19 1.577 -8.604 1.689 118 HG3 PRO 19 HG3 PRO 19 1.134 -6.951 0.116 119 HD3 PRO 19 HD3 PRO 19 -1.019 -7.560 0.668 120 HA PRO 20 HA PRO 20 1.984 -5.805 6.825 121 HB3 PRO 20 HB3 PRO 20 3.327 -7.490 7.623 122 HG3 PRO 20 HG3 PRO 20 4.436 -8.928 6.171 123 HD3 PRO 20 HD3 PRO 20 2.306 -9.052 5.301 124 H LEU 21 H LEU 21 1.616 -3.968 5.301 125 HA LEU 21 HA LEU 21 4.160 -2.740 4.463 126 HB3 LEU 21 HB3 LEU 21 2.488 -1.285 3.069 127 HG LEU 21 HG LEU 21 2.391 -2.985 1.203 128 HD11 LEU 21 HD11 LEU 21 4.177 -1.583 0.966 129 HD12 LEU 21 HD12 LEU 21 5.022 -3.115 1.183 130 HD13 LEU 21 HD13 LEU 21 4.857 -1.998 2.539 131 HD21 LEU 21 HD21 LEU 21 2.391 -4.946 2.789 132 HD22 LEU 21 HD22 LEU 21 4.109 -4.637 3.041 133 HD23 LEU 21 HD23 LEU 21 3.516 -5.057 1.433 134 H LYS 22 H LYS 22 3.636 -0.180 4.220 135 HA LYS 22 HA LYS 22 2.144 0.822 6.498 136 HB3 LYS 22 HB3 LYS 22 4.421 2.199 6.963 137 HG3 LYS 22 HG3 LYS 22 4.238 -0.503 8.212 138 HD3 LYS 22 HD3 LYS 22 4.727 2.291 9.246 139 HE3 LYS 22 HE3 LYS 22 3.977 -0.167 10.601 140 HZ1 LYS 22 HZ1 LYS 22 6.637 0.933 11.062 141 HZ2 LYS 22 HZ2 LYS 22 6.057 -0.638 11.305 142 HZ3 LYS 22 HZ3 LYS 22 5.715 0.573 12.435 143 H CYS 23 H CYS 23 1.052 2.508 5.760 144 HA CYS 23 HA CYS 23 1.793 3.839 3.330 145 HB3 CYS 23 HB3 CYS 23 -0.236 5.192 3.725 146 H ASN 24 H ASN 24 1.250 6.441 3.609 147 HA ASN 24 HA ASN 24 3.065 7.433 5.700 148 HB3 ASN 24 HB3 ASN 24 4.555 8.039 4.146 149 HD21 ASN 24 HD22 ASN 24 5.395 6.722 2.719 150 HD22 ASN 24 HD21 ASN 24 4.610 6.098 1.312 151 H LYS 25 H LYS 25 1.256 8.979 3.058 152 HA LYS 25 HA LYS 25 -0.709 10.077 4.844 153 HB3 LYS 25 HB3 LYS 25 0.964 11.659 5.401 154 HG3 LYS 25 HG3 LYS 25 1.510 12.023 2.462 155 HD3 LYS 25 HD3 LYS 25 2.404 13.460 4.929 156 HE3 LYS 25 HE3 LYS 25 4.319 12.409 3.407 157 HZ1 LYS 25 HZ1 LYS 25 4.199 15.025 2.127 158 HZ2 LYS 25 HZ2 LYS 25 3.178 13.829 1.504 159 HZ3 LYS 25 HZ3 LYS 25 4.849 13.571 1.558 160 H ALA 26 H ALA 26 0.842 10.240 1.669 161 HA ALA 26 HA ALA 26 -1.676 11.040 0.430 162 HB1 ALA 26 HB1 ALA 26 -0.163 10.966 -1.675 163 HB2 ALA 26 HB2 ALA 26 0.049 12.267 -0.502 164 HB3 ALA 26 HB3 ALA 26 1.159 10.896 -0.509 165 H GLN 27 H GLN 27 -1.024 8.307 1.614 166 HA GLN 27 HA GLN 27 -1.524 6.132 1.176 167 HB3 GLN 27 HB3 GLN 27 -3.251 5.662 -0.368 168 HG3 GLN 27 HG3 GLN 27 -3.540 7.829 1.328 169 HE21 GLN 27 HE22 GLN 27 -4.444 9.814 1.284 170 HE22 GLN 27 HE21 GLN 27 -4.828 10.676 -0.163 171 H ILE 28 H ILE 28 0.470 5.267 0.813 172 HA ILE 28 HA ILE 28 1.160 4.775 -1.986 173 HB ILE 28 HB ILE 28 3.210 5.699 0.027 174 HG13 ILE 28 HG13 ILE 28 3.320 7.776 -1.184 175 HG21 ILE 28 HG21 ILE 28 4.683 5.799 -1.969 176 HG22 ILE 28 HG22 ILE 28 4.153 4.168 -1.562 177 HG23 ILE 28 HG23 ILE 28 3.401 5.030 -2.904 178 HD11 ILE 28 HD11 ILE 28 1.812 6.339 -3.216 179 HD12 ILE 28 HD12 ILE 28 1.165 7.940 -2.856 180 HD13 ILE 28 HD13 ILE 28 2.847 7.760 -3.357 181 H CYS 29 H CYS 29 1.772 4.044 1.420 182 HA CYS 29 HA CYS 29 2.161 2.078 2.499 183 HB3 CYS 29 HB3 CYS 29 1.900 0.118 0.458 184 H VAL 30 H VAL 30 4.069 1.248 3.059 185 HA VAL 30 HA VAL 30 5.949 0.307 1.073 186 HB VAL 30 HB VAL 30 7.718 1.823 2.429 187 HG11 VAL 30 HG11 VAL 30 6.542 1.787 -0.164 188 HG12 VAL 30 HG12 VAL 30 6.800 3.466 0.316 189 HG13 VAL 30 HG13 VAL 30 8.151 2.331 0.313 190 HG21 VAL 30 HG21 VAL 30 5.948 2.965 3.696 191 HG22 VAL 30 HG22 VAL 30 6.856 4.082 2.677 192 HG23 VAL 30 HG23 VAL 30 5.251 3.544 2.184 193 H ASP 31 H ASP 31 8.111 -0.267 2.312 194 HA ASP 31 HA ASP 31 8.066 -0.861 5.044 195 HB3 ASP 31 HB3 ASP 31 7.700 -3.434 3.599 196 HA PRO 32 HA PRO 32 12.085 -1.306 2.785 197 HB3 PRO 32 HB3 PRO 32 12.544 0.930 3.054 198 HG3 PRO 32 HG3 PRO 32 11.539 2.165 4.748 199 HD3 PRO 32 HD3 PRO 32 9.678 1.160 3.833 200 H LYS 33 H LYS 33 10.846 -2.012 5.859 201 HA LYS 33 HA LYS 33 13.188 -2.944 7.155 202 HB3 LYS 33 HB3 LYS 33 11.000 -4.429 8.120 203 HG3 LYS 33 HG3 LYS 33 12.661 -2.210 9.033 204 HD3 LYS 33 HD3 LYS 33 10.255 -1.344 9.230 205 HE3 LYS 33 HE3 LYS 33 10.066 -3.844 10.681 206 HZ1 LYS 33 HZ1 LYS 33 9.955 -3.046 12.740 207 HZ2 LYS 33 HZ2 LYS 33 8.496 -2.319 12.290 208 HZ3 LYS 33 HZ3 LYS 33 9.936 -1.435 12.225 209 H LYS 34 H LYS 34 11.143 -4.273 4.720 210 HA LYS 34 HA LYS 34 12.899 -6.444 4.234 211 HB3 LYS 34 HB3 LYS 34 10.185 -7.317 5.200 212 HG3 LYS 34 HG3 LYS 34 12.034 -8.728 3.836 213 HD3 LYS 34 HD3 LYS 34 12.477 -9.706 6.615 214 HE3 LYS 34 HE3 LYS 34 14.426 -9.663 4.340 215 HZ1 LYS 34 HZ1 LYS 34 14.017 -11.901 6.187 216 HZ2 LYS 34 HZ2 LYS 34 14.792 -10.515 6.771 217 HZ3 LYS 34 HZ3 LYS 34 15.440 -11.355 5.453 218 H GLY 35 H GLY 35 11.679 -4.296 2.781 219 HA2 GLY 35 HA2 GLY 35 10.665 -5.830 0.545 220 HA3 GLY 35 HA3 GLY 35 9.499 -4.721 1.251 221 H TRP 36 H TRP 36 9.415 -2.764 0.385 222 HA TRP 36 HA TRP 36 9.916 -0.967 -0.922 223 HB3 TRP 36 HB3 TRP 36 12.652 -1.438 0.283 224 HD1 TRP 36 HD1 TRP 36 13.778 -0.495 -2.051 225 HE1 TRP 36 HE1 TRP 36 14.138 1.932 -2.830 226 HE3 TRP 36 HE3 TRP 36 10.448 1.853 1.038 227 HZ2 TRP 36 HZ2 TRP 36 13.143 4.501 -2.215 228 HZ3 TRP 36 HZ3 TRP 36 10.213 4.296 0.880 229 HH2 TRP 36 HH2 TRP 36 11.534 5.591 -0.714 Start of MODEL 9 1 H1 ASP 1 H1 ASP 1 -9.862 -11.818 3.455 2 HA ASP 1 HA ASP 1 -9.208 -13.664 1.323 3 HB3 ASP 1 HB3 ASP 1 -11.522 -14.182 0.750 4 H PHE 2 H PHE 2 -8.794 -10.835 1.963 5 HA PHE 2 HA PHE 2 -10.194 -9.639 -0.337 6 HB3 PHE 2 HB3 PHE 2 -10.225 -7.529 0.764 7 HD1 PHE 2 HD1 PHE 2 -12.444 -9.036 0.597 8 HD2 PHE 2 HD2 PHE 2 -10.036 -8.524 4.069 9 HE1 PHE 2 HE1 PHE 2 -14.365 -9.636 2.014 10 HE2 PHE 2 HE2 PHE 2 -11.952 -9.123 5.491 11 HZ PHE 2 HZ PHE 2 -14.119 -9.681 4.465 12 HA PRO 3 HA PRO 3 -5.646 -9.729 -1.242 13 HB3 PRO 3 HB3 PRO 3 -5.859 -11.669 -2.454 14 HG3 PRO 3 HG3 PRO 3 -7.902 -12.291 -3.373 15 HD3 PRO 3 HD3 PRO 3 -8.559 -11.845 -1.208 16 H LEU 4 H LEU 4 -4.473 -8.222 -2.411 17 HA LEU 4 HA LEU 4 -5.662 -6.565 -4.418 18 HB3 LEU 4 HB3 LEU 4 -6.648 -5.563 -2.421 19 HG LEU 4 HG LEU 4 -3.894 -5.569 -1.380 20 HD11 LEU 4 HD11 LEU 4 -5.673 -3.177 -0.931 21 HD12 LEU 4 HD12 LEU 4 -4.214 -3.180 -1.922 22 HD13 LEU 4 HD13 LEU 4 -4.103 -3.486 -0.189 23 HD21 LEU 4 HD21 LEU 4 -6.583 -5.288 -0.043 24 HD22 LEU 4 HD22 LEU 4 -5.050 -5.685 0.732 25 HD23 LEU 4 HD23 LEU 4 -5.788 -6.823 -0.396 26 H SER 5 H SER 5 -4.034 -4.416 -4.447 27 HA SER 5 HA SER 5 -1.518 -5.585 -5.207 28 HB3 SER 5 HB3 SER 5 -0.987 -3.452 -6.141 29 HG SER 5 HG SER 5 -3.369 -2.901 -6.888 30 H LYS 6 H LYS 6 0.350 -3.688 -4.643 31 HA LYS 6 HA LYS 6 0.378 -2.939 -1.887 32 HB3 LYS 6 HB3 LYS 6 0.781 -5.425 -1.788 33 HG3 LYS 6 HG3 LYS 6 3.580 -4.946 -2.661 34 HD3 LYS 6 HD3 LYS 6 1.821 -7.369 -2.973 35 HE3 LYS 6 HE3 LYS 6 4.561 -7.898 -2.395 36 HZ1 LYS 6 HZ1 LYS 6 3.636 -8.263 -5.109 37 HZ2 LYS 6 HZ2 LYS 6 2.638 -8.959 -3.932 38 HZ3 LYS 6 HZ3 LYS 6 4.271 -9.391 -4.019 39 H GLU 7 H GLU 7 3.111 -2.834 -1.447 40 HA GLU 7 HA GLU 7 4.993 -1.641 -1.922 41 HB3 GLU 7 HB3 GLU 7 4.437 -1.246 -4.784 42 HG3 GLU 7 HG3 GLU 7 6.675 -2.829 -3.585 43 H TYR 8 H TYR 8 5.333 0.384 -3.927 44 HA TYR 8 HA TYR 8 4.441 2.633 -2.606 45 HB3 TYR 8 HB3 TYR 8 6.211 2.766 -4.246 46 HD1 TYR 8 HD1 TYR 8 3.506 3.367 -6.657 47 HD2 TYR 8 HD2 TYR 8 6.748 0.829 -5.581 48 HE1 TYR 8 HE1 TYR 8 3.406 2.309 -8.875 49 HE2 TYR 8 HE2 TYR 8 6.658 -0.235 -7.796 50 HH TYR 8 HH TYR 8 4.330 0.837 -10.257 51 H GLU 9 H GLU 9 2.691 0.544 -4.692 52 HA GLU 9 HA GLU 9 0.768 2.067 -5.866 53 HB3 GLU 9 HB3 GLU 9 0.162 -0.487 -4.371 54 HG3 GLU 9 HG3 GLU 9 -1.554 1.053 -5.818 55 H THR 10 H THR 10 -1.073 3.131 -5.289 56 HA THR 10 HA THR 10 -1.278 4.391 -2.859 57 HB THR 10 HB THR 10 -3.551 4.997 -3.437 58 HG1 THR 10 HG1 THR 10 -3.435 3.142 -5.587 59 HG21 THR 10 HG21 THR 10 -3.037 6.231 -5.286 60 HG22 THR 10 HG22 THR 10 -2.326 4.862 -6.140 61 HG23 THR 10 HG23 THR 10 -1.413 5.681 -4.872 62 H CYS 11 H CYS 11 -2.414 4.077 -0.963 63 HA CYS 11 HA CYS 11 -3.646 1.428 -0.595 64 HB3 CYS 11 HB3 CYS 11 -1.463 1.369 0.455 65 H VAL 12 H VAL 12 -5.274 3.422 -1.258 66 HA VAL 12 HA VAL 12 -6.205 5.125 0.747 67 HB VAL 12 HB VAL 12 -8.349 5.160 -0.507 68 HG11 VAL 12 HG11 VAL 12 -7.376 6.000 -2.643 69 HG12 VAL 12 HG12 VAL 12 -6.611 6.660 -1.195 70 HG13 VAL 12 HG13 VAL 12 -5.810 5.385 -2.115 71 HG21 VAL 12 HG21 VAL 12 -8.601 3.857 -2.532 72 HG22 VAL 12 HG22 VAL 12 -7.025 3.107 -2.276 73 HG23 VAL 12 HG23 VAL 12 -8.349 2.780 -1.159 74 H ARG 13 H ARG 13 -8.738 4.804 1.360 75 HA ARG 13 HA ARG 13 -8.791 3.015 3.475 76 HB3 ARG 13 HB3 ARG 13 -11.464 3.336 2.719 77 HG3 ARG 13 HG3 ARG 13 -9.682 4.940 4.521 78 HD3 ARG 13 HD3 ARG 13 -11.689 6.226 3.526 79 HE ARG 13 HE ARG 13 -13.637 5.057 3.810 80 HH11 ARG 13 HH11 ARG 13 -11.778 4.915 6.749 81 HH12 ARG 13 HH12 ARG 13 -13.045 4.174 7.669 82 HH21 ARG 13 HH22 ARG 13 -15.313 4.081 5.010 83 HH22 ARG 13 HH21 ARG 13 -15.055 3.699 6.678 84 HA PRO 14 HA PRO 14 -11.386 -0.032 0.768 85 HB3 PRO 14 HB3 PRO 14 -12.695 1.121 -0.726 86 HG3 PRO 14 HG3 PRO 14 -11.955 3.103 -1.690 87 HD3 PRO 14 HD3 PRO 14 -11.532 3.558 0.530 88 H ARG 15 H ARG 15 -8.347 1.263 0.059 89 HA ARG 15 HA ARG 15 -7.517 -1.188 -1.346 90 HB3 ARG 15 HB3 ARG 15 -5.918 1.358 -1.216 91 HG3 ARG 15 HG3 ARG 15 -4.764 -0.649 -2.044 92 HD3 ARG 15 HD3 ARG 15 -7.229 -1.061 -3.404 93 HE ARG 15 HE ARG 15 -5.352 -0.064 -5.211 94 HH11 ARG 15 HH11 ARG 15 -7.352 -2.880 -4.777 95 HH12 ARG 15 HH12 ARG 15 -7.498 -3.199 -6.473 96 HH21 ARG 15 HH22 ARG 15 -5.536 -0.473 -7.448 97 HH22 ARG 15 HH21 ARG 15 -6.464 -1.830 -7.991 98 H LYS 16 H LYS 16 -7.893 -1.221 1.436 99 HA LYS 16 HA LYS 16 -5.717 -0.682 3.041 100 HB3 LYS 16 HB3 LYS 16 -6.972 -3.280 3.595 101 HG3 LYS 16 HG3 LYS 16 -7.652 -2.091 5.688 102 HD3 LYS 16 HD3 LYS 16 -5.150 -3.038 4.903 103 HE3 LYS 16 HE3 LYS 16 -4.362 -0.696 4.832 104 HZ1 LYS 16 HZ1 LYS 16 -5.918 -0.329 7.030 105 HZ2 LYS 16 HZ2 LYS 16 -4.754 0.754 6.454 106 HZ3 LYS 16 HZ3 LYS 16 -4.354 -0.346 7.675 107 H CYS 17 H CYS 17 -3.661 -1.238 2.832 108 HA CYS 17 HA CYS 17 -2.605 -3.069 1.062 109 HB3 CYS 17 HB3 CYS 17 -0.767 -3.057 3.135 110 H GLN 18 H GLN 18 -2.924 -5.183 0.938 111 HA GLN 18 HA GLN 18 -3.960 -6.780 2.999 112 HB3 GLN 18 HB3 GLN 18 -2.483 -8.388 1.143 113 HG3 GLN 18 HG3 GLN 18 -5.000 -8.548 0.236 114 HE21 GLN 18 HE22 GLN 18 -5.696 -9.422 3.285 115 HE22 GLN 18 HE21 GLN 18 -5.023 -11.014 3.310 116 HA PRO 19 HA PRO 19 0.505 -8.523 3.595 117 HB3 PRO 19 HB3 PRO 19 1.649 -8.529 1.602 118 HG3 PRO 19 HG3 PRO 19 1.315 -6.857 0.022 119 HD3 PRO 19 HD3 PRO 19 -0.874 -7.443 0.447 120 HA PRO 20 HA PRO 20 1.799 -5.782 6.780 121 HB3 PRO 20 HB3 PRO 20 3.070 -7.492 7.638 122 HG3 PRO 20 HG3 PRO 20 4.242 -8.934 6.239 123 HD3 PRO 20 HD3 PRO 20 2.163 -9.021 5.246 124 H LEU 21 H LEU 21 1.543 -3.944 5.212 125 HA LEU 21 HA LEU 21 4.148 -2.737 4.556 126 HB3 LEU 21 HB3 LEU 21 2.581 -1.259 3.064 127 HG LEU 21 HG LEU 21 2.599 -2.941 1.185 128 HD11 LEU 21 HD11 LEU 21 4.654 -2.217 0.717 129 HD12 LEU 21 HD12 LEU 21 5.350 -3.025 2.121 130 HD13 LEU 21 HD13 LEU 21 4.615 -1.431 2.295 131 HD21 LEU 21 HD21 LEU 21 4.270 -4.649 2.984 132 HD22 LEU 21 HD22 LEU 21 3.502 -5.055 1.449 133 HD23 LEU 21 HD23 LEU 21 2.522 -4.876 2.904 134 H LYS 22 H LYS 22 3.661 -0.170 4.286 135 HA LYS 22 HA LYS 22 2.051 0.831 6.485 136 HB3 LYS 22 HB3 LYS 22 4.030 2.137 7.380 137 HG3 LYS 22 HG3 LYS 22 4.316 -0.850 7.635 138 HD3 LYS 22 HD3 LYS 22 5.650 1.396 8.853 139 HE3 LYS 22 HE3 LYS 22 4.715 -0.517 10.922 140 HZ1 LYS 22 HZ1 LYS 22 4.774 2.233 11.611 141 HZ2 LYS 22 HZ2 LYS 22 6.225 1.788 10.863 142 HZ3 LYS 22 HZ3 LYS 22 5.692 0.956 12.235 143 H CYS 23 H CYS 23 1.023 2.565 5.764 144 HA CYS 23 HA CYS 23 1.823 3.869 3.337 145 HB3 CYS 23 HB3 CYS 23 -0.182 5.263 3.695 146 H ASN 24 H ASN 24 1.309 6.489 3.622 147 HA ASN 24 HA ASN 24 3.143 7.441 5.715 148 HB3 ASN 24 HB3 ASN 24 4.531 7.507 3.822 149 HD21 ASN 24 HD22 ASN 24 3.223 10.006 2.137 150 HD22 ASN 24 HD21 ASN 24 2.629 9.145 0.762 151 H LYS 25 H LYS 25 0.952 8.638 3.165 152 HA LYS 25 HA LYS 25 -0.892 9.832 4.880 153 HB3 LYS 25 HB3 LYS 25 1.340 11.641 3.973 154 HG3 LYS 25 HG3 LYS 25 -0.387 13.265 5.332 155 HD3 LYS 25 HD3 LYS 25 -1.002 13.863 2.763 156 HE3 LYS 25 HE3 LYS 25 0.155 15.352 4.282 157 HZ1 LYS 25 HZ1 LYS 25 2.387 13.457 3.928 158 HZ2 LYS 25 HZ2 LYS 25 1.762 14.107 5.359 159 HZ3 LYS 25 HZ3 LYS 25 2.686 15.074 4.323 160 H ALA 26 H ALA 26 0.807 10.135 1.799 161 HA ALA 26 HA ALA 26 -1.626 11.056 0.480 162 HB1 ALA 26 HB1 ALA 26 -0.317 11.763 -1.259 163 HB2 ALA 26 HB2 ALA 26 0.840 11.874 0.069 164 HB3 ALA 26 HB3 ALA 26 0.880 10.488 -1.022 165 H GLN 27 H GLN 27 -1.044 8.242 1.572 166 HA GLN 27 HA GLN 27 -1.624 6.111 1.027 167 HB3 GLN 27 HB3 GLN 27 -3.285 5.758 -0.610 168 HG3 GLN 27 HG3 GLN 27 -3.605 7.856 1.137 169 HE21 GLN 27 HE22 GLN 27 -3.861 9.963 1.070 170 HE22 GLN 27 HE21 GLN 27 -4.270 10.898 -0.325 171 H ILE 28 H ILE 28 0.525 5.447 0.783 172 HA ILE 28 HA ILE 28 1.293 4.928 -2.004 173 HB ILE 28 HB ILE 28 3.344 5.653 0.073 174 HG13 ILE 28 HG13 ILE 28 3.417 7.903 -0.842 175 HG21 ILE 28 HG21 ILE 28 3.373 5.442 -2.931 176 HG22 ILE 28 HG22 ILE 28 4.693 6.124 -1.982 177 HG23 ILE 28 HG23 ILE 28 4.236 4.433 -1.772 178 HD11 ILE 28 HD11 ILE 28 1.109 8.351 -2.212 179 HD12 ILE 28 HD12 ILE 28 2.710 8.200 -2.934 180 HD13 ILE 28 HD13 ILE 28 1.635 6.803 -2.872 181 H CYS 29 H CYS 29 1.794 4.129 1.410 182 HA CYS 29 HA CYS 29 2.131 2.139 2.464 183 HB3 CYS 29 HB3 CYS 29 1.880 0.276 0.286 184 H VAL 30 H VAL 30 4.009 1.255 3.049 185 HA VAL 30 HA VAL 30 5.887 0.182 1.185 186 HB VAL 30 HB VAL 30 7.685 1.881 2.253 187 HG11 VAL 30 HG11 VAL 30 7.023 1.239 -0.192 188 HG12 VAL 30 HG12 VAL 30 6.213 2.806 -0.172 189 HG13 VAL 30 HG13 VAL 30 7.949 2.706 0.122 190 HG21 VAL 30 HG21 VAL 30 5.810 3.145 3.354 191 HG22 VAL 30 HG22 VAL 30 6.876 4.115 2.337 192 HG23 VAL 30 HG23 VAL 30 5.288 3.631 1.741 193 H ASP 31 H ASP 31 8.076 -0.220 2.430 194 HA ASP 31 HA ASP 31 8.171 -0.378 5.204 195 HB3 ASP 31 HB3 ASP 31 7.842 -3.144 4.799 196 HA PRO 32 HA PRO 32 12.274 -1.648 4.317 197 HB3 PRO 32 HB3 PRO 32 12.747 -1.345 6.545 198 HG3 PRO 32 HG3 PRO 32 11.211 -1.932 8.189 199 HD3 PRO 32 HD3 PRO 32 9.854 -0.685 6.804 200 H LYS 33 H LYS 33 9.869 -4.069 4.932 201 HA LYS 33 HA LYS 33 11.458 -6.356 4.357 202 HB3 LYS 33 HB3 LYS 33 8.736 -6.848 3.680 203 HG3 LYS 33 HG3 LYS 33 10.690 -7.884 5.435 204 HD3 LYS 33 HD3 LYS 33 8.078 -7.878 6.860 205 HE3 LYS 33 HE3 LYS 33 10.294 -9.207 7.360 206 HZ1 LYS 33 HZ1 LYS 33 11.985 -7.986 8.057 207 HZ2 LYS 33 HZ2 LYS 33 11.051 -7.396 9.339 208 HZ3 LYS 33 HZ3 LYS 33 11.091 -6.563 7.868 209 H LYS 34 H LYS 34 9.195 -4.425 2.413 210 HA LYS 34 HA LYS 34 10.672 -5.043 0.015 211 HB3 LYS 34 HB3 LYS 34 7.852 -5.635 -0.451 212 HG3 LYS 34 HG3 LYS 34 10.217 -6.217 -1.701 213 HD3 LYS 34 HD3 LYS 34 9.408 -8.494 0.011 214 HE3 LYS 34 HE3 LYS 34 9.882 -8.699 -2.921 215 HZ1 LYS 34 HZ1 LYS 34 11.039 -10.647 -2.822 216 HZ2 LYS 34 HZ2 LYS 34 10.539 -11.016 -1.249 217 HZ3 LYS 34 HZ3 LYS 34 11.734 -9.847 -1.503 218 H GLY 35 H GLY 35 10.954 -2.946 -0.518 219 HA2 GLY 35 HA2 GLY 35 8.936 -1.497 -1.783 220 HA3 GLY 35 HA3 GLY 35 9.034 -0.906 -0.131 221 H TRP 36 H TRP 36 9.807 1.117 -0.613 222 HA TRP 36 HA TRP 36 11.908 1.650 -2.415 223 HB3 TRP 36 HB3 TRP 36 11.649 3.520 -0.160 224 HD1 TRP 36 HD1 TRP 36 13.668 3.667 -2.524 225 HE1 TRP 36 HE1 TRP 36 13.519 5.552 -4.271 226 HE3 TRP 36 HE3 TRP 36 8.774 4.994 -1.870 227 HZ2 TRP 36 HZ2 TRP 36 11.583 7.360 -5.244 228 HZ3 TRP 36 HZ3 TRP 36 7.852 6.811 -3.248 229 HH2 TRP 36 HH2 TRP 36 9.228 7.969 -4.899 Start of MODEL 10 1 H1 ASP 1 H1 ASP 1 -14.172 -5.640 -2.995 2 HA ASP 1 HA ASP 1 -13.073 -7.298 -4.901 3 HB3 ASP 1 HB3 ASP 1 -14.331 -6.197 -6.945 4 H PHE 2 H PHE 2 -11.328 -6.020 -4.185 5 HA PHE 2 HA PHE 2 -11.234 -3.334 -5.394 6 HB3 PHE 2 HB3 PHE 2 -11.182 -2.909 -3.088 7 HD1 PHE 2 HD1 PHE 2 -8.141 -5.035 -3.207 8 HD2 PHE 2 HD2 PHE 2 -11.920 -4.307 -1.387 9 HE1 PHE 2 HE1 PHE 2 -7.652 -6.751 -1.512 10 HE2 PHE 2 HE2 PHE 2 -11.436 -6.021 0.311 11 HZ PHE 2 HZ PHE 2 -9.300 -7.245 0.250 12 HA PRO 3 HA PRO 3 -7.682 -4.541 -7.669 13 HB3 PRO 3 HB3 PRO 3 -7.698 -2.441 -8.600 14 HG3 PRO 3 HG3 PRO 3 -8.248 -0.570 -7.334 15 HD3 PRO 3 HD3 PRO 3 -10.023 -1.944 -6.805 16 H LEU 4 H LEU 4 -6.834 -2.665 -4.757 17 HA LEU 4 HA LEU 4 -5.195 -2.914 -3.202 18 HB3 LEU 4 HB3 LEU 4 -5.579 -5.735 -4.136 19 HG LEU 4 HG LEU 4 -3.315 -4.845 -2.579 20 HD11 LEU 4 HD11 LEU 4 -4.653 -7.092 -1.207 21 HD12 LEU 4 HD12 LEU 4 -5.285 -5.478 -0.881 22 HD13 LEU 4 HD13 LEU 4 -3.587 -5.839 -0.569 23 HD21 LEU 4 HD21 LEU 4 -2.768 -6.422 -4.128 24 HD22 LEU 4 HD22 LEU 4 -4.294 -7.288 -3.951 25 HD23 LEU 4 HD23 LEU 4 -3.028 -7.477 -2.738 26 H SER 5 H SER 5 -3.471 -1.760 -3.845 27 HA SER 5 HA SER 5 -1.704 -2.833 -5.910 28 HB3 SER 5 HB3 SER 5 -0.622 -0.607 -5.828 29 HG SER 5 HG SER 5 -3.405 -0.174 -5.912 30 H LYS 6 H LYS 6 0.373 -3.456 -5.558 31 HA LYS 6 HA LYS 6 1.144 -3.860 -2.770 32 HB3 LYS 6 HB3 LYS 6 1.251 -5.823 -4.164 33 HG3 LYS 6 HG3 LYS 6 3.472 -5.183 -5.855 34 HD3 LYS 6 HD3 LYS 6 1.342 -6.896 -5.854 35 HE3 LYS 6 HE3 LYS 6 0.757 -4.599 -7.658 36 HZ1 LYS 6 HZ1 LYS 6 -0.032 -5.826 -9.349 37 HZ2 LYS 6 HZ2 LYS 6 -0.514 -7.110 -8.359 38 HZ3 LYS 6 HZ3 LYS 6 1.104 -6.965 -8.829 39 H GLU 7 H GLU 7 3.215 -3.292 -1.975 40 HA GLU 7 HA GLU 7 4.895 -1.803 -1.591 41 HB3 GLU 7 HB3 GLU 7 5.670 -1.292 -4.329 42 HG3 GLU 7 HG3 GLU 7 6.916 -3.037 -2.217 43 H TYR 8 H TYR 8 5.914 0.351 -2.902 44 HA TYR 8 HA TYR 8 4.193 2.410 -2.284 45 HB3 TYR 8 HB3 TYR 8 6.595 2.735 -2.616 46 HD1 TYR 8 HD1 TYR 8 7.648 0.737 -3.703 47 HD2 TYR 8 HD2 TYR 8 5.879 3.878 -5.963 48 HE1 TYR 8 HE1 TYR 8 8.866 -0.023 -5.700 49 HE2 TYR 8 HE2 TYR 8 7.091 3.126 -7.967 50 HH TYR 8 HH TYR 8 9.655 1.332 -7.999 51 H GLU 9 H GLU 9 2.356 3.089 -3.146 52 HA GLU 9 HA GLU 9 1.955 3.557 -5.888 53 HB3 GLU 9 HB3 GLU 9 0.616 1.071 -4.807 54 HG3 GLU 9 HG3 GLU 9 -0.027 2.780 -7.106 55 H THR 10 H THR 10 -0.314 2.193 -3.516 56 HA THR 10 HA THR 10 -1.302 4.631 -2.541 57 HB THR 10 HB THR 10 -3.634 4.012 -3.900 58 HG1 THR 10 HG1 THR 10 -2.778 2.856 -5.530 59 HG21 THR 10 HG21 THR 10 -3.469 6.239 -3.904 60 HG22 THR 10 HG22 THR 10 -2.462 6.085 -5.343 61 HG23 THR 10 HG23 THR 10 -1.714 6.175 -3.749 62 H CYS 11 H CYS 11 -2.549 4.262 -0.792 63 HA CYS 11 HA CYS 11 -3.793 1.612 -0.507 64 HB3 CYS 11 HB3 CYS 11 -1.854 1.407 0.824 65 H VAL 12 H VAL 12 -5.841 2.422 -0.920 66 HA VAL 12 HA VAL 12 -6.847 4.615 0.714 67 HB VAL 12 HB VAL 12 -8.623 3.113 -1.145 68 HG11 VAL 12 HG11 VAL 12 -8.627 5.595 0.247 69 HG12 VAL 12 HG12 VAL 12 -8.687 5.923 -1.486 70 HG13 VAL 12 HG13 VAL 12 -9.901 4.881 -0.741 71 HG21 VAL 12 HG21 VAL 12 -6.214 4.671 -1.956 72 HG22 VAL 12 HG22 VAL 12 -6.905 3.212 -2.667 73 HG23 VAL 12 HG23 VAL 12 -7.674 4.776 -2.938 74 H ARG 13 H ARG 13 -9.095 4.331 1.642 75 HA ARG 13 HA ARG 13 -9.106 2.496 3.688 76 HB3 ARG 13 HB3 ARG 13 -11.816 2.918 3.079 77 HG3 ARG 13 HG3 ARG 13 -9.901 3.827 5.045 78 HD3 ARG 13 HD3 ARG 13 -11.591 5.725 5.688 79 HE ARG 13 HE ARG 13 -9.849 6.743 3.653 80 HH11 ARG 13 HH11 ARG 13 -9.984 5.345 6.839 81 HH12 ARG 13 HH12 ARG 13 -8.481 6.039 7.350 82 HH21 ARG 13 HH22 ARG 13 -7.869 7.663 4.314 83 HH22 ARG 13 HH21 ARG 13 -7.279 7.358 5.913 84 HA PRO 14 HA PRO 14 -11.972 -0.447 1.154 85 HB3 PRO 14 HB3 PRO 14 -13.381 0.760 -0.202 86 HG3 PRO 14 HG3 PRO 14 -12.684 2.743 -1.194 87 HD3 PRO 14 HD3 PRO 14 -12.059 3.150 0.987 88 H ARG 15 H ARG 15 -8.990 0.818 0.158 89 HA ARG 15 HA ARG 15 -8.284 -1.745 -1.112 90 HB3 ARG 15 HB3 ARG 15 -6.500 -0.317 -2.317 91 HG3 ARG 15 HG3 ARG 15 -9.392 -0.439 -2.963 92 HD3 ARG 15 HD3 ARG 15 -8.501 0.624 -5.236 93 HE ARG 15 HE ARG 15 -9.282 2.672 -3.364 94 HH11 ARG 15 HH11 ARG 15 -10.340 -0.017 -5.307 95 HH12 ARG 15 HH12 ARG 15 -11.988 0.513 -5.376 96 HH21 ARG 15 HH22 ARG 15 -11.450 3.379 -3.446 97 HH22 ARG 15 HH21 ARG 15 -12.618 2.445 -4.318 98 H LYS 16 H LYS 16 -8.110 -1.152 1.670 99 HA LYS 16 HA LYS 16 -5.675 -0.250 2.605 100 HB3 LYS 16 HB3 LYS 16 -6.557 -2.620 4.044 101 HG3 LYS 16 HG3 LYS 16 -7.132 0.078 5.086 102 HD3 LYS 16 HD3 LYS 16 -6.110 -2.538 6.049 103 HE3 LYS 16 HE3 LYS 16 -4.917 -0.029 6.805 104 HZ1 LYS 16 HZ1 LYS 16 -6.486 0.150 8.542 105 HZ2 LYS 16 HZ2 LYS 16 -5.087 -0.492 9.246 106 HZ3 LYS 16 HZ3 LYS 16 -6.401 -1.500 8.907 107 H CYS 17 H CYS 17 -3.681 -1.177 3.023 108 HA CYS 17 HA CYS 17 -2.766 -3.097 1.157 109 HB3 CYS 17 HB3 CYS 17 -0.741 -3.051 2.903 110 H GLN 18 H GLN 18 -3.427 -5.151 1.247 111 HA GLN 18 HA GLN 18 -4.347 -6.535 3.464 112 HB3 GLN 18 HB3 GLN 18 -3.352 -7.290 0.777 113 HG3 GLN 18 HG3 GLN 18 -3.569 -9.255 3.032 114 HE21 GLN 18 HE22 GLN 18 -5.744 -9.591 1.719 115 HE22 GLN 18 HE21 GLN 18 -5.655 -10.857 0.546 116 HA PRO 19 HA PRO 19 0.048 -8.462 4.022 117 HB3 PRO 19 HB3 PRO 19 1.107 -8.674 1.994 118 HG3 PRO 19 HG3 PRO 19 0.789 -7.109 0.304 119 HD3 PRO 19 HD3 PRO 19 -1.405 -7.551 0.855 120 HA PRO 20 HA PRO 20 1.582 -5.556 6.943 121 HB3 PRO 20 HB3 PRO 20 2.776 -7.267 7.905 122 HG3 PRO 20 HG3 PRO 20 3.817 -8.886 6.600 123 HD3 PRO 20 HD3 PRO 20 1.708 -8.922 5.671 124 H LEU 21 H LEU 21 1.403 -3.776 5.359 125 HA LEU 21 HA LEU 21 4.029 -2.849 4.405 126 HB3 LEU 21 HB3 LEU 21 2.422 -1.250 3.059 127 HG LEU 21 HG LEU 21 2.128 -2.977 1.228 128 HD11 LEU 21 HD11 LEU 21 4.571 -1.858 2.355 129 HD12 LEU 21 HD12 LEU 21 3.997 -1.885 0.688 130 HD13 LEU 21 HD13 LEU 21 4.850 -3.280 1.348 131 HD21 LEU 21 HD21 LEU 21 3.198 -5.095 1.456 132 HD22 LEU 21 HD22 LEU 21 2.082 -4.916 2.810 133 HD23 LEU 21 HD23 LEU 21 3.813 -4.679 3.056 134 H LYS 22 H LYS 22 3.867 -0.279 4.133 135 HA LYS 22 HA LYS 22 2.617 0.931 6.476 136 HB3 LYS 22 HB3 LYS 22 5.285 1.969 6.257 137 HG3 LYS 22 HG3 LYS 22 4.048 0.332 8.461 138 HD3 LYS 22 HD3 LYS 22 6.632 0.978 8.275 139 HE3 LYS 22 HE3 LYS 22 5.558 3.481 8.323 140 HZ1 LYS 22 HZ1 LYS 22 4.810 3.225 10.609 141 HZ2 LYS 22 HZ2 LYS 22 6.038 4.384 10.506 142 HZ3 LYS 22 HZ3 LYS 22 6.382 2.840 11.104 143 H CYS 23 H CYS 23 1.538 2.623 5.733 144 HA CYS 23 HA CYS 23 2.353 3.921 3.265 145 HB3 CYS 23 HB3 CYS 23 0.218 5.112 3.429 146 H ASN 24 H ASN 24 1.561 6.489 3.555 147 HA ASN 24 HA ASN 24 3.163 7.557 5.778 148 HB3 ASN 24 HB3 ASN 24 4.714 8.056 4.199 149 HD21 ASN 24 HD22 ASN 24 2.814 9.581 1.880 150 HD22 ASN 24 HD21 ASN 24 2.908 8.376 0.646 151 H LYS 25 H LYS 25 1.137 8.728 3.083 152 HA LYS 25 HA LYS 25 -0.984 9.639 4.648 153 HB3 LYS 25 HB3 LYS 25 0.189 12.152 3.846 154 HG3 LYS 25 HG3 LYS 25 0.000 11.649 6.707 155 HD3 LYS 25 HD3 LYS 25 -1.772 13.460 5.124 156 HE3 LYS 25 HE3 LYS 25 -1.248 13.098 7.817 157 HZ1 LYS 25 HZ1 LYS 25 -0.403 15.658 7.983 158 HZ2 LYS 25 HZ2 LYS 25 0.569 15.051 6.738 159 HZ3 LYS 25 HZ3 LYS 25 0.566 14.297 8.253 160 H ALA 26 H ALA 26 0.985 10.077 1.783 161 HA ALA 26 HA ALA 26 -1.297 11.066 0.255 162 HB1 ALA 26 HB1 ALA 26 1.558 10.613 -0.605 163 HB2 ALA 26 HB2 ALA 26 0.297 11.400 -1.556 164 HB3 ALA 26 HB3 ALA 26 0.874 12.147 -0.066 165 H GLN 27 H GLN 27 -1.023 8.260 1.331 166 HA GLN 27 HA GLN 27 -1.514 6.137 0.680 167 HB3 GLN 27 HB3 GLN 27 -2.650 6.000 -1.660 168 HG3 GLN 27 HG3 GLN 27 -3.855 7.667 0.537 169 HE21 GLN 27 HE22 GLN 27 -6.259 7.230 0.617 170 HE22 GLN 27 HE21 GLN 27 -7.109 7.313 -0.885 171 H ILE 28 H ILE 28 0.448 5.158 0.551 172 HA ILE 28 HA ILE 28 1.516 4.755 -2.132 173 HB ILE 28 HB ILE 28 3.214 5.729 0.167 174 HG13 ILE 28 HG13 ILE 28 3.713 7.621 -1.270 175 HG21 ILE 28 HG21 ILE 28 4.020 4.731 -2.560 176 HG22 ILE 28 HG22 ILE 28 5.097 5.543 -1.426 177 HG23 ILE 28 HG23 ILE 28 4.391 3.983 -1.007 178 HD11 ILE 28 HD11 ILE 28 2.558 5.980 -3.343 179 HD12 ILE 28 HD12 ILE 28 1.810 7.576 -3.280 180 HD13 ILE 28 HD13 ILE 28 3.557 7.427 -3.471 181 H CYS 29 H CYS 29 2.058 4.011 1.313 182 HA CYS 29 HA CYS 29 2.335 2.036 2.408 183 HB3 CYS 29 HB3 CYS 29 1.787 0.068 0.441 184 H VAL 30 H VAL 30 4.215 1.107 2.882 185 HA VAL 30 HA VAL 30 5.833 -0.242 0.965 186 HB VAL 30 HB VAL 30 7.805 1.476 1.729 187 HG11 VAL 30 HG11 VAL 30 8.004 1.960 -0.513 188 HG12 VAL 30 HG12 VAL 30 7.002 0.507 -0.565 189 HG13 VAL 30 HG13 VAL 30 6.262 2.097 -0.747 190 HG21 VAL 30 HG21 VAL 30 7.109 3.721 1.574 191 HG22 VAL 30 HG22 VAL 30 5.503 3.267 1.005 192 HG23 VAL 30 HG23 VAL 30 5.966 2.955 2.677 193 H ASP 31 H ASP 31 8.171 -0.540 2.058 194 HA ASP 31 HA ASP 31 8.361 -0.518 4.863 195 HB3 ASP 31 HB3 ASP 31 6.779 -2.180 5.151 196 HA PRO 32 HA PRO 32 12.543 -1.447 3.921 197 HB3 PRO 32 HB3 PRO 32 13.032 -1.010 6.122 198 HG3 PRO 32 HG3 PRO 32 11.588 -1.660 7.825 199 HD3 PRO 32 HD3 PRO 32 10.098 -0.598 6.425 200 H LYS 33 H LYS 33 11.057 -3.173 2.493 201 HA LYS 33 HA LYS 33 12.655 -5.595 2.592 202 HB3 LYS 33 HB3 LYS 33 9.879 -6.317 2.147 203 HG3 LYS 33 HG3 LYS 33 10.548 -7.726 4.303 204 HD3 LYS 33 HD3 LYS 33 11.912 -8.406 1.723 205 HE3 LYS 33 HE3 LYS 33 11.202 -9.794 4.091 206 HZ1 LYS 33 HZ1 LYS 33 10.011 -11.201 1.815 207 HZ2 LYS 33 HZ2 LYS 33 9.069 -10.052 2.625 208 HZ3 LYS 33 HZ3 LYS 33 9.703 -11.374 3.469 209 H LYS 34 H LYS 34 10.049 -3.808 0.994 210 HA LYS 34 HA LYS 34 11.104 -4.752 -1.593 211 HB3 LYS 34 HB3 LYS 34 8.821 -4.474 -2.499 212 HG3 LYS 34 HG3 LYS 34 9.675 -6.579 -0.962 213 HD3 LYS 34 HD3 LYS 34 7.761 -5.299 0.602 214 HE3 LYS 34 HE3 LYS 34 6.174 -7.489 0.523 215 HZ1 LYS 34 HZ1 LYS 34 5.882 -4.862 -0.797 216 HZ2 LYS 34 HZ2 LYS 34 5.175 -5.408 0.641 217 HZ3 LYS 34 HZ3 LYS 34 4.638 -6.008 -0.847 218 H GLY 35 H GLY 35 12.550 -2.897 -1.467 219 HA2 GLY 35 HA2 GLY 35 13.156 -0.813 -2.222 220 HA3 GLY 35 HA3 GLY 35 11.555 -0.687 -2.937 221 H TRP 36 H TRP 36 13.277 1.246 -1.416 222 HA TRP 36 HA TRP 36 11.149 2.247 0.292 223 HB3 TRP 36 HB3 TRP 36 12.542 0.872 1.801 224 HD1 TRP 36 HD1 TRP 36 14.801 -0.288 1.190 225 HE1 TRP 36 HE1 TRP 36 17.256 0.486 1.162 226 HE3 TRP 36 HE3 TRP 36 14.071 4.743 1.726 227 HZ2 TRP 36 HZ2 TRP 36 18.692 2.909 1.344 228 HZ3 TRP 36 HZ3 TRP 36 16.038 6.219 1.789 229 HH2 TRP 36 HH2 TRP 36 18.299 5.320 1.603
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