NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622209 | 5ykk | 36124 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 H PHE 1 2.432 0.322 -5.804 2 HA PHE 1 HA PHE 1 5.173 1.195 -5.589 3 HB2 PHE 1 2HB PHE 1 2.509 2.360 -5.139 4 HB3 PHE 1 3HB PHE 1 3.746 2.922 -4.020 5 HD1 PHE 1 HD1 PHE 1 2.193 3.611 -7.024 6 HD2 PHE 1 HD2 PHE 1 6.069 3.481 -5.269 7 HE1 PHE 1 HE1 PHE 1 3.016 5.179 -8.732 8 HE2 PHE 1 HE2 PHE 1 6.897 5.050 -6.973 9 HZ PHE 1 HZ PHE 1 5.370 5.902 -8.707 10 H LEU 2 H LEU 2 6.318 1.547 -3.658 11 HA LEU 2 HA LEU 2 5.440 -0.169 -1.436 12 HB2 LEU 2 2HB LEU 2 8.041 0.403 -2.681 13 HB3 LEU 2 3HB LEU 2 8.054 0.344 -0.920 14 HG LEU 2 HG LEU 2 6.912 -1.940 -1.183 15 HD11 LEU 2 1HD1 LEU 2 6.271 -1.889 -3.464 16 HD12 LEU 2 2HD1 LEU 2 7.573 -3.071 -3.329 17 HD13 LEU 2 3HD1 LEU 2 7.903 -1.468 -3.984 18 HD21 LEU 2 1HD2 LEU 2 8.945 -2.486 -0.475 19 HD22 LEU 2 2HD2 LEU 2 9.671 -1.120 -1.323 20 HD23 LEU 2 3HD2 LEU 2 9.425 -2.652 -2.164 21 HA PRO 3 HA PRO 3 5.164 3.190 1.373 22 HB2 PRO 3 2HB PRO 3 6.230 2.149 3.642 23 HB3 PRO 3 3HB PRO 3 4.654 1.659 3.009 24 HG2 PRO 3 2HG PRO 3 7.307 0.298 2.745 25 HG3 PRO 3 3HG PRO 3 5.717 -0.407 3.091 26 HD2 PRO 3 2HD PRO 3 6.836 -0.476 0.626 27 HD3 PRO 3 3HD PRO 3 5.081 -0.376 0.876 28 H LYS 4 H LYS 4 6.298 4.905 2.252 29 HA LYS 4 HA LYS 4 9.228 4.802 1.941 30 HB2 LYS 4 2HB LYS 4 8.652 7.463 1.807 31 HB3 LYS 4 3HB LYS 4 8.867 6.417 0.410 32 HG2 LYS 4 2HG LYS 4 6.600 6.277 -0.004 33 HG3 LYS 4 3HG LYS 4 6.167 6.709 1.652 34 HD2 LYS 4 2HD LYS 4 5.681 8.540 0.113 35 HD3 LYS 4 3HD LYS 4 6.945 8.997 1.257 36 HE2 LYS 4 2HE LYS 4 8.607 8.918 -0.354 37 HE3 LYS 4 3HE LYS 4 7.679 7.851 -1.405 38 HZ1 LYS 4 1HZ LYS 4 6.634 9.569 -2.366 39 HZ2 LYS 4 2HZ LYS 4 7.941 10.480 -1.796 40 HZ3 LYS 4 3HZ LYS 4 6.490 10.447 -0.927 41 H LEU 5 H LEU 5 7.939 4.046 4.323 42 HA LEU 5 HA LEU 5 7.489 5.879 6.280 43 HB2 LEU 5 2HB LEU 5 8.431 3.139 6.175 44 HB3 LEU 5 3HB LEU 5 9.093 4.009 7.558 45 HG LEU 5 HG LEU 5 6.212 4.370 7.232 46 HD11 LEU 5 1HD1 LEU 5 5.777 2.239 6.666 47 HD12 LEU 5 2HD1 LEU 5 6.107 1.923 8.369 48 HD13 LEU 5 3HD1 LEU 5 7.370 1.668 7.164 49 HD21 LEU 5 1HD2 LEU 5 7.830 3.311 9.541 50 HD22 LEU 5 2HD2 LEU 5 6.219 4.026 9.594 51 HD23 LEU 5 3HD2 LEU 5 7.616 5.026 9.195 52 H PHE 6 H PHE 6 10.632 4.860 5.034 53 HA PHE 6 HA PHE 6 11.856 7.085 6.528 54 HB2 PHE 6 2HB PHE 6 12.450 4.507 7.000 55 HB3 PHE 6 3HB PHE 6 13.573 4.818 5.681 56 HD1 PHE 6 HD1 PHE 6 15.617 5.818 6.108 57 HD2 PHE 6 HD2 PHE 6 12.490 6.154 8.976 58 HE1 PHE 6 HE1 PHE 6 17.184 6.868 7.688 59 HE2 PHE 6 HE2 PHE 6 14.051 7.205 10.560 60 HZ PHE 6 HZ PHE 6 16.401 7.564 9.917 61 H ALA 7 H ALA 7 11.109 5.826 3.519 62 HA ALA 7 HA ALA 7 13.371 6.678 2.019 63 HB1 ALA 7 1HB ALA 7 12.327 5.709 0.299 64 HB2 ALA 7 2HB ALA 7 11.141 5.168 1.488 65 HB3 ALA 7 3HB ALA 7 10.850 6.637 0.557 66 H LYS 8 H LYS 8 10.496 8.252 3.188 67 HA LYS 8 HA LYS 8 10.890 10.586 1.503 68 HB2 LYS 8 2HB LYS 8 8.880 11.458 2.588 69 HB3 LYS 8 3HB LYS 8 8.607 9.829 1.981 70 HG2 LYS 8 2HG LYS 8 9.354 9.236 4.479 71 HG3 LYS 8 3HG LYS 8 8.666 10.838 4.753 72 HD2 LYS 8 2HD LYS 8 7.256 8.581 3.332 73 HD3 LYS 8 3HD LYS 8 7.023 9.002 5.030 74 HE2 LYS 8 2HE LYS 8 6.714 11.393 3.614 75 HE3 LYS 8 3HE LYS 8 5.859 10.175 2.669 76 HZ1 LYS 8 1HZ LYS 8 4.760 11.455 4.705 77 HZ2 LYS 8 2HZ LYS 8 5.408 10.138 5.544 78 HZ3 LYS 8 3HZ LYS 8 4.321 9.879 4.274 79 H ILE 9 H ILE 9 11.241 9.643 4.883 80 HA ILE 9 HA ILE 9 11.878 12.215 5.878 81 HB ILE 9 HB ILE 9 12.430 11.192 7.898 82 HG12 ILE 9 2HG1 ILE 9 12.811 8.539 7.750 83 HG13 ILE 9 3HG1 ILE 9 13.409 8.990 6.157 84 HG21 ILE 9 1HG2 ILE 9 10.768 8.914 7.089 85 HG22 ILE 9 2HG2 ILE 9 10.500 10.132 8.335 86 HG23 ILE 9 3HG2 ILE 9 10.122 10.496 6.651 87 HD11 ILE 9 1HD1 ILE 9 14.549 9.489 8.823 88 HD12 ILE 9 2HD1 ILE 9 15.346 9.200 7.276 89 HD13 ILE 9 3HD1 ILE 9 14.701 10.798 7.652 90 H THR 10 H THR 10 13.727 9.765 4.255 91 HA THR 10 HA THR 10 16.285 10.906 4.987 92 HB THR 10 HB THR 10 17.177 9.231 3.308 93 HG1 THR 10 HG1 THR 10 15.682 7.649 2.608 94 HG21 THR 10 1HG2 THR 10 17.121 8.749 5.701 95 HG22 THR 10 2HG2 THR 10 16.760 7.298 4.766 96 HG23 THR 10 3HG2 THR 10 15.457 8.183 5.559 97 H LYS 11 H LYS 11 17.160 12.591 3.997 98 HA LYS 11 HA LYS 11 16.423 13.119 1.193 99 HB2 LYS 11 2HB LYS 11 16.877 15.547 1.755 100 HB3 LYS 11 3HB LYS 11 15.429 14.852 2.471 101 HG2 LYS 11 2HG LYS 11 17.955 14.806 4.040 102 HG3 LYS 11 3HG LYS 11 17.076 16.329 3.881 103 HD2 LYS 11 2HD LYS 11 15.018 14.830 4.547 104 HD3 LYS 11 3HD LYS 11 16.273 13.799 5.239 105 HE2 LYS 11 2HE LYS 11 16.989 15.480 6.714 106 HE3 LYS 11 3HE LYS 11 16.144 16.743 5.820 107 HZ1 LYS 11 1HZ LYS 11 15.218 15.450 8.032 108 HZ2 LYS 11 2HZ LYS 11 14.375 14.706 6.769 109 HZ3 LYS 11 3HZ LYS 11 14.291 16.383 6.968 110 H LYS 12 H LYS 12 18.738 11.696 2.608 111 HA LYS 12 HA LYS 12 20.904 13.212 1.304 112 HB2 LYS 12 2HB LYS 12 22.249 11.616 3.024 113 HB3 LYS 12 3HB LYS 12 21.744 13.257 3.405 114 HG2 LYS 12 2HG LYS 12 20.011 12.555 4.753 115 HG3 LYS 12 3HG LYS 12 19.909 10.973 3.976 116 HD2 LYS 12 2HD LYS 12 20.861 10.614 6.118 117 HD3 LYS 12 3HD LYS 12 22.182 10.478 4.955 118 HE2 LYS 12 2HE LYS 12 21.812 13.200 5.900 119 HE3 LYS 12 3HE LYS 12 22.133 12.073 7.217 120 HZ1 LYS 12 1HZ LYS 12 24.242 12.624 6.593 121 HZ2 LYS 12 2HZ LYS 12 23.846 12.830 4.962 122 HZ3 LYS 12 3HZ LYS 12 24.003 11.273 5.604 123 H ASN 13 H ASN 13 20.747 9.908 2.592 124 HA ASN 13 HA ASN 13 22.255 8.702 0.631 125 HB2 ASN 13 2HB ASN 13 20.587 7.844 2.798 126 HB3 ASN 13 3HB ASN 13 20.282 6.816 1.401 127 HD21 ASN 13 1HD2 ASN 13 21.623 5.194 1.053 128 HD22 ASN 13 2HD2 ASN 13 23.184 5.002 1.769 129 H MET 14 H MET 14 18.904 9.640 0.539 130 HA MET 14 HA MET 14 18.013 8.060 -1.592 131 HB2 MET 14 2HB MET 14 16.599 9.497 -0.080 132 HB3 MET 14 3HB MET 14 17.136 10.890 -1.009 133 HG2 MET 14 2HG MET 14 15.428 10.548 -2.367 134 HG3 MET 14 3HG MET 14 16.229 9.074 -2.908 135 HE1 MET 14 1HE MET 14 12.380 8.427 -2.489 136 HE2 MET 14 2HE MET 14 12.607 10.028 -1.787 137 HE3 MET 14 3HE MET 14 13.443 9.592 -3.278 138 H ALA 15 H ALA 15 19.293 11.387 -1.642 139 HA ALA 15 HA ALA 15 19.366 11.479 -4.505 140 HB1 ALA 15 1HB ALA 15 20.952 13.536 -3.757 141 HB2 ALA 15 2HB ALA 15 19.191 13.615 -3.820 142 HB3 ALA 15 3HB ALA 15 20.005 13.302 -2.287 143 H HIS 16 H HIS 16 21.193 9.783 -2.401 144 HA HIS 16 HA HIS 16 23.697 10.148 -3.895 145 HB2 HIS 16 2HB HIS 16 23.100 9.655 -1.126 146 HB3 HIS 16 3HB HIS 16 24.099 8.348 -1.754 147 HD1 HIS 16 HD1 HIS 16 24.501 11.376 -0.065 148 HD2 HIS 16 HD2 HIS 16 26.375 9.700 -3.373 149 HE1 HIS 16 HE1 HIS 16 26.710 12.563 -0.260 150 H ILE 17 H ILE 17 21.052 8.039 -3.484 151 HA ILE 17 HA ILE 17 22.104 5.523 -3.922 152 HB ILE 17 HB ILE 17 19.968 4.863 -4.805 153 HG12 ILE 17 2HG1 ILE 17 19.646 7.804 -5.337 154 HG13 ILE 17 3HG1 ILE 17 19.429 6.452 -6.444 155 HG21 ILE 17 1HG2 ILE 17 19.303 7.023 -2.837 156 HG22 ILE 17 2HG2 ILE 17 18.613 5.408 -2.987 157 HG23 ILE 17 3HG2 ILE 17 20.251 5.613 -2.366 158 HD11 ILE 17 1HD1 ILE 17 17.288 7.351 -5.940 159 HD12 ILE 17 2HD1 ILE 17 17.423 5.796 -5.117 160 HD13 ILE 17 3HD1 ILE 17 17.608 7.295 -4.207 161 H ARG 18 H ARG 18 21.387 8.065 -6.268 162 HA ARG 18 HA ARG 18 23.044 6.642 -8.221 163 HB2 ARG 18 2HB ARG 18 20.188 7.112 -8.429 164 HB3 ARG 18 3HB ARG 18 21.061 7.868 -9.754 165 HG2 ARG 18 2HG ARG 18 22.198 5.637 -10.105 166 HG3 ARG 18 3HG ARG 18 21.009 4.967 -8.986 167 HD2 ARG 18 2HD ARG 18 19.217 5.888 -10.461 168 HD3 ARG 18 3HD ARG 18 20.472 6.343 -11.613 169 HE ARG 18 HE ARG 18 20.760 3.624 -11.024 170 HH11 ARG 18 1HH1 ARG 18 18.524 5.772 -12.607 171 HH12 ARG 18 2HH1 ARG 18 17.946 4.567 -13.711 172 HH21 ARG 18 1HH2 ARG 18 20.008 2.030 -12.471 173 HH22 ARG 18 2HH2 ARG 18 18.790 2.439 -13.632 Start of MODEL 2 1 H1 PHE 1 H PHE 1 6.159 1.013 -5.156 2 HA PHE 1 HA PHE 1 4.208 -0.528 -5.119 3 HB2 PHE 1 2HB PHE 1 6.248 -2.370 -4.769 4 HB3 PHE 1 3HB PHE 1 5.465 -2.323 -3.193 5 HD1 PHE 1 HD1 PHE 1 5.188 -3.349 -6.650 6 HD2 PHE 1 HD2 PHE 1 3.074 -2.896 -2.984 7 HE1 PHE 1 HE1 PHE 1 3.411 -4.825 -7.497 8 HE2 PHE 1 HE2 PHE 1 1.294 -4.372 -3.825 9 HZ PHE 1 HZ PHE 1 1.461 -5.339 -6.083 10 H LEU 2 H LEU 2 6.531 -0.235 -2.432 11 HA LEU 2 HA LEU 2 4.399 0.442 -0.590 12 HB2 LEU 2 2HB LEU 2 7.212 -0.343 -0.412 13 HB3 LEU 2 3HB LEU 2 6.738 0.885 0.760 14 HG LEU 2 HG LEU 2 4.805 -0.743 1.325 15 HD11 LEU 2 1HD1 LEU 2 5.024 -2.289 -0.478 16 HD12 LEU 2 2HD1 LEU 2 5.489 -3.123 1.004 17 HD13 LEU 2 3HD1 LEU 2 6.729 -2.558 -0.115 18 HD21 LEU 2 1HD2 LEU 2 7.288 -0.267 2.403 19 HD22 LEU 2 2HD2 LEU 2 7.247 -2.025 2.264 20 HD23 LEU 2 3HD2 LEU 2 5.988 -1.182 3.167 21 HA PRO 3 HA PRO 3 4.723 4.815 -0.718 22 HB2 PRO 3 2HB PRO 3 4.503 5.499 1.900 23 HB3 PRO 3 3HB PRO 3 3.144 4.889 0.949 24 HG2 PRO 3 2HG PRO 3 4.916 3.431 2.872 25 HG3 PRO 3 3HG PRO 3 3.155 3.337 2.681 26 HD2 PRO 3 2HD PRO 3 4.833 1.476 1.655 27 HD3 PRO 3 3HD PRO 3 3.301 1.915 0.873 28 H LYS 4 H LYS 4 5.802 6.692 0.767 29 HA LYS 4 HA LYS 4 8.659 5.996 0.884 30 HB2 LYS 4 2HB LYS 4 8.787 8.638 0.776 31 HB3 LYS 4 3HB LYS 4 8.604 7.669 -0.680 32 HG2 LYS 4 2HG LYS 4 6.156 8.041 -0.558 33 HG3 LYS 4 3HG LYS 4 6.429 9.121 0.811 34 HD2 LYS 4 2HD LYS 4 8.178 9.879 -1.305 35 HD3 LYS 4 3HD LYS 4 6.546 9.719 -1.958 36 HE2 LYS 4 2HE LYS 4 5.739 11.449 -0.727 37 HE3 LYS 4 3HE LYS 4 6.819 11.130 0.629 38 HZ1 LYS 4 1HZ LYS 4 8.626 12.124 -0.582 39 HZ2 LYS 4 2HZ LYS 4 7.334 13.214 -0.527 40 HZ3 LYS 4 3HZ LYS 4 7.652 12.351 -1.947 41 H LEU 5 H LEU 5 7.036 5.394 3.081 42 HA LEU 5 HA LEU 5 6.718 7.211 5.087 43 HB2 LEU 5 2HB LEU 5 6.754 5.443 6.608 44 HB3 LEU 5 3HB LEU 5 6.242 4.712 5.088 45 HG LEU 5 HG LEU 5 9.080 4.597 6.087 46 HD11 LEU 5 1HD1 LEU 5 6.833 2.636 6.517 47 HD12 LEU 5 2HD1 LEU 5 7.718 3.527 7.755 48 HD13 LEU 5 3HD1 LEU 5 8.539 2.290 6.802 49 HD21 LEU 5 1HD2 LEU 5 9.373 3.866 3.997 50 HD22 LEU 5 2HD2 LEU 5 7.642 3.670 3.725 51 HD23 LEU 5 3HD2 LEU 5 8.558 2.397 4.534 52 H PHE 6 H PHE 6 9.723 5.770 3.981 53 HA PHE 6 HA PHE 6 11.179 7.576 5.798 54 HB2 PHE 6 2HB PHE 6 11.282 4.919 6.067 55 HB3 PHE 6 3HB PHE 6 12.517 5.103 4.825 56 HD1 PHE 6 HD1 PHE 6 14.685 5.658 5.418 57 HD2 PHE 6 HD2 PHE 6 11.520 6.378 8.171 58 HE1 PHE 6 HE1 PHE 6 16.329 6.268 7.143 59 HE2 PHE 6 HE2 PHE 6 13.159 6.990 9.901 60 HZ PHE 6 HZ PHE 6 15.567 6.937 9.388 61 H ALA 7 H ALA 7 10.498 6.737 2.626 62 HA ALA 7 HA ALA 7 12.998 7.338 1.398 63 HB1 ALA 7 1HB ALA 7 10.668 7.811 -0.276 64 HB2 ALA 7 2HB ALA 7 11.989 6.658 -0.471 65 HB3 ALA 7 3HB ALA 7 10.610 6.254 0.552 66 H LYS 8 H LYS 8 10.251 9.228 2.426 67 HA LYS 8 HA LYS 8 11.147 11.604 1.023 68 HB2 LYS 8 2HB LYS 8 9.196 12.682 2.100 69 HB3 LYS 8 3HB LYS 8 8.760 11.236 1.199 70 HG2 LYS 8 2HG LYS 8 7.854 10.324 2.999 71 HG3 LYS 8 3HG LYS 8 9.342 10.549 3.920 72 HD2 LYS 8 2HD LYS 8 7.652 11.730 5.085 73 HD3 LYS 8 3HD LYS 8 8.625 12.948 4.257 74 HE2 LYS 8 2HE LYS 8 6.863 13.669 3.105 75 HE3 LYS 8 3HE LYS 8 6.472 12.034 2.572 76 HZ1 LYS 8 1HZ LYS 8 4.713 12.126 3.890 77 HZ2 LYS 8 2HZ LYS 8 5.189 13.617 4.533 78 HZ3 LYS 8 3HZ LYS 8 5.740 12.179 5.234 79 H ILE 9 H ILE 9 11.209 10.258 4.254 80 HA ILE 9 HA ILE 9 12.073 12.654 5.549 81 HB ILE 9 HB ILE 9 12.219 11.427 7.509 82 HG12 ILE 9 2HG1 ILE 9 12.290 8.764 7.193 83 HG13 ILE 9 3HG1 ILE 9 13.114 9.236 5.711 84 HG21 ILE 9 1HG2 ILE 9 9.992 11.166 6.030 85 HG22 ILE 9 2HG2 ILE 9 10.390 9.467 6.279 86 HG23 ILE 9 3HG2 ILE 9 10.152 10.529 7.666 87 HD11 ILE 9 1HD1 ILE 9 14.013 9.367 8.499 88 HD12 ILE 9 2HD1 ILE 9 14.935 9.157 7.010 89 HD13 ILE 9 3HD1 ILE 9 14.416 10.768 7.507 90 H THR 10 H THR 10 13.645 10.067 3.858 91 HA THR 10 HA THR 10 16.274 10.691 4.896 92 HB THR 10 HB THR 10 17.026 9.040 3.112 93 HG1 THR 10 HG1 THR 10 14.868 9.385 1.979 94 HG21 THR 10 1HG2 THR 10 16.727 8.386 5.446 95 HG22 THR 10 2HG2 THR 10 16.211 7.091 4.366 96 HG23 THR 10 3HG2 THR 10 15.010 8.110 5.160 97 H LYS 11 H LYS 11 17.497 12.282 4.150 98 HA LYS 11 HA LYS 11 17.123 13.160 1.361 99 HB2 LYS 11 2HB LYS 11 17.971 15.412 2.244 100 HB3 LYS 11 3HB LYS 11 16.323 14.951 2.651 101 HG2 LYS 11 2HG LYS 11 17.245 15.835 4.620 102 HG3 LYS 11 3HG LYS 11 17.248 14.084 4.840 103 HD2 LYS 11 2HD LYS 11 19.540 13.930 4.640 104 HD3 LYS 11 3HD LYS 11 19.663 15.417 3.698 105 HE2 LYS 11 2HE LYS 11 20.031 16.618 5.533 106 HE3 LYS 11 3HE LYS 11 18.587 15.968 6.308 107 HZ1 LYS 11 1HZ LYS 11 20.964 14.265 6.189 108 HZ2 LYS 11 2HZ LYS 11 19.768 14.367 7.380 109 HZ3 LYS 11 3HZ LYS 11 20.971 15.552 7.287 110 H LYS 12 H LYS 12 19.034 11.249 2.807 111 HA LYS 12 HA LYS 12 21.528 12.474 1.823 112 HB2 LYS 12 2HB LYS 12 22.435 10.552 3.494 113 HB3 LYS 12 3HB LYS 12 22.167 12.221 3.979 114 HG2 LYS 12 2HG LYS 12 20.231 11.722 5.123 115 HG3 LYS 12 3HG LYS 12 19.942 10.245 4.200 116 HD2 LYS 12 2HD LYS 12 21.363 9.002 5.484 117 HD3 LYS 12 3HD LYS 12 22.403 10.378 5.858 118 HE2 LYS 12 2HE LYS 12 21.351 10.695 7.789 119 HE3 LYS 12 3HE LYS 12 19.800 10.821 6.961 120 HZ1 LYS 12 1HZ LYS 12 20.815 8.128 7.239 121 HZ2 LYS 12 2HZ LYS 12 19.255 8.729 7.493 122 HZ3 LYS 12 3HZ LYS 12 20.429 8.887 8.701 123 H ASN 13 H ASN 13 20.730 9.157 2.801 124 HA ASN 13 HA ASN 13 22.192 7.872 0.850 125 HB2 ASN 13 2HB ASN 13 20.244 7.136 2.821 126 HB3 ASN 13 3HB ASN 13 19.899 6.273 1.325 127 HD21 ASN 13 1HD2 ASN 13 22.280 6.858 3.810 128 HD22 ASN 13 2HD2 ASN 13 23.236 5.453 3.497 129 H MET 14 H MET 14 19.056 9.355 0.611 130 HA MET 14 HA MET 14 18.086 8.095 -1.691 131 HB2 MET 14 2HB MET 14 16.815 9.649 -0.167 132 HB3 MET 14 3HB MET 14 17.645 10.988 -0.948 133 HG2 MET 14 2HG MET 14 16.015 11.030 -2.439 134 HG3 MET 14 3HG MET 14 16.600 9.479 -3.037 135 HE1 MET 14 1HE MET 14 15.621 7.368 -2.809 136 HE2 MET 14 2HE MET 14 15.689 7.156 -1.060 137 HE3 MET 14 3HE MET 14 14.167 6.915 -1.919 138 H ALA 15 H ALA 15 19.896 11.152 -1.396 139 HA ALA 15 HA ALA 15 20.208 11.418 -4.232 140 HB1 ALA 15 1HB ALA 15 21.718 13.299 -3.634 141 HB2 ALA 15 2HB ALA 15 20.121 13.407 -2.893 142 HB3 ALA 15 3HB ALA 15 21.503 12.877 -1.934 143 H HIS 16 H HIS 16 21.561 9.302 -2.150 144 HA HIS 16 HA HIS 16 24.199 9.334 -3.442 145 HB2 HIS 16 2HB HIS 16 23.315 8.770 -0.765 146 HB3 HIS 16 3HB HIS 16 24.131 7.356 -1.426 147 HD1 HIS 16 HD1 HIS 16 24.846 11.104 -1.374 148 HD2 HIS 16 HD2 HIS 16 26.765 7.452 -0.882 149 HE1 HIS 16 HE1 HIS 16 27.239 11.668 -0.848 150 H ILE 17 H ILE 17 21.219 7.682 -3.372 151 HA ILE 17 HA ILE 17 21.875 5.059 -3.934 152 HB ILE 17 HB ILE 17 19.735 4.829 -5.005 153 HG12 ILE 17 2HG1 ILE 17 19.944 7.811 -5.327 154 HG13 ILE 17 3HG1 ILE 17 19.594 6.591 -6.548 155 HG21 ILE 17 1HG2 ILE 17 19.948 5.361 -2.501 156 HG22 ILE 17 2HG2 ILE 17 19.282 6.938 -2.924 157 HG23 ILE 17 3HG2 ILE 17 18.352 5.474 -3.242 158 HD11 ILE 17 1HD1 ILE 17 17.598 7.805 -6.119 159 HD12 ILE 17 2HD1 ILE 17 17.410 6.200 -5.412 160 HD13 ILE 17 3HD1 ILE 17 17.768 7.583 -4.378 161 H ARG 18 H ARG 18 21.772 7.833 -6.117 162 HA ARG 18 HA ARG 18 23.031 6.154 -8.187 163 HB2 ARG 18 2HB ARG 18 20.849 6.793 -8.957 164 HB3 ARG 18 3HB ARG 18 21.117 8.468 -8.494 165 HG2 ARG 18 2HG ARG 18 22.007 8.934 -10.467 166 HG3 ARG 18 3HG ARG 18 23.156 7.602 -10.322 167 HD2 ARG 18 2HD ARG 18 21.989 6.960 -12.191 168 HD3 ARG 18 3HD ARG 18 21.067 6.143 -10.930 169 HE ARG 18 HE ARG 18 19.947 8.672 -11.342 170 HH11 ARG 18 1HH1 ARG 18 20.346 5.644 -13.012 171 HH12 ARG 18 2HH1 ARG 18 18.902 5.823 -13.953 172 HH21 ARG 18 1HH2 ARG 18 18.044 8.919 -12.574 173 HH22 ARG 18 2HH2 ARG 18 17.594 7.687 -13.704 Start of MODEL 3 1 H1 PHE 1 H PHE 1 1.807 0.001 0.856 2 HA PHE 1 HA PHE 1 2.540 -0.976 -1.355 3 HB2 PHE 1 2HB PHE 1 1.764 0.318 -3.334 4 HB3 PHE 1 3HB PHE 1 0.463 -0.544 -2.519 5 HD1 PHE 1 HD1 PHE 1 1.782 2.683 -3.480 6 HD2 PHE 1 HD2 PHE 1 -1.158 0.698 -1.128 7 HE1 PHE 1 HE1 PHE 1 0.518 4.785 -3.292 8 HE2 PHE 1 HE2 PHE 1 -2.427 2.796 -0.937 9 HZ PHE 1 HZ PHE 1 -1.590 4.844 -2.020 10 H LEU 2 H LEU 2 4.425 -0.162 -2.217 11 HA LEU 2 HA LEU 2 6.298 1.122 -2.317 12 HB2 LEU 2 2HB LEU 2 4.070 3.067 -2.484 13 HB3 LEU 2 3HB LEU 2 5.677 3.715 -2.160 14 HG LEU 2 HG LEU 2 6.389 2.374 -4.252 15 HD11 LEU 2 1HD1 LEU 2 3.927 1.360 -4.188 16 HD12 LEU 2 2HD1 LEU 2 4.828 1.578 -5.688 17 HD13 LEU 2 3HD1 LEU 2 3.615 2.765 -5.207 18 HD21 LEU 2 1HD2 LEU 2 4.820 4.425 -5.426 19 HD22 LEU 2 2HD2 LEU 2 6.541 4.441 -5.040 20 HD23 LEU 2 3HD2 LEU 2 5.364 4.992 -3.847 21 HA PRO 3 HA PRO 3 6.236 1.598 2.311 22 HB2 PRO 3 2HB PRO 3 8.277 -0.136 2.756 23 HB3 PRO 3 3HB PRO 3 6.590 -0.648 2.636 24 HG2 PRO 3 2HG PRO 3 8.749 -0.741 0.565 25 HG3 PRO 3 3HG PRO 3 7.534 -1.967 0.969 26 HD2 PRO 3 2HD PRO 3 7.282 -0.313 -1.160 27 HD3 PRO 3 3HD PRO 3 5.883 -0.913 -0.247 28 H LYS 4 H LYS 4 7.017 3.734 1.985 29 HA LYS 4 HA LYS 4 9.956 3.935 1.863 30 HB2 LYS 4 2HB LYS 4 9.145 6.444 1.233 31 HB3 LYS 4 3HB LYS 4 9.512 5.200 0.044 32 HG2 LYS 4 2HG LYS 4 7.299 4.814 -0.439 33 HG3 LYS 4 3HG LYS 4 6.743 5.410 1.126 34 HD2 LYS 4 2HD LYS 4 6.154 6.967 -0.654 35 HD3 LYS 4 3HD LYS 4 7.319 7.696 0.454 36 HE2 LYS 4 2HE LYS 4 9.087 7.447 -1.080 37 HE3 LYS 4 3HE LYS 4 8.167 6.324 -2.081 38 HZ1 LYS 4 1HZ LYS 4 7.211 9.083 -1.699 39 HZ2 LYS 4 2HZ LYS 4 6.912 8.018 -2.978 40 HZ3 LYS 4 3HZ LYS 4 8.425 8.760 -2.833 41 H LEU 5 H LEU 5 8.467 3.451 4.248 42 HA LEU 5 HA LEU 5 7.728 5.539 5.818 43 HB2 LEU 5 2HB LEU 5 8.651 2.886 6.233 44 HB3 LEU 5 3HB LEU 5 9.453 3.930 7.405 45 HG LEU 5 HG LEU 5 6.516 4.223 7.130 46 HD11 LEU 5 1HD1 LEU 5 6.627 2.269 8.995 47 HD12 LEU 5 2HD1 LEU 5 7.844 1.702 7.852 48 HD13 LEU 5 3HD1 LEU 5 6.195 2.006 7.306 49 HD21 LEU 5 1HD2 LEU 5 8.444 5.198 8.816 50 HD22 LEU 5 2HD2 LEU 5 7.744 3.879 9.756 51 HD23 LEU 5 3HD2 LEU 5 6.711 5.172 9.145 52 H PHE 6 H PHE 6 11.020 4.616 4.967 53 HA PHE 6 HA PHE 6 11.960 7.127 6.190 54 HB2 PHE 6 2HB PHE 6 12.704 4.702 7.082 55 HB3 PHE 6 3HB PHE 6 13.900 4.913 5.807 56 HD1 PHE 6 HD1 PHE 6 15.833 6.109 6.227 57 HD2 PHE 6 HD2 PHE 6 12.462 6.638 8.771 58 HE1 PHE 6 HE1 PHE 6 17.192 7.504 7.731 59 HE2 PHE 6 HE2 PHE 6 13.815 8.035 10.279 60 HZ PHE 6 HZ PHE 6 16.183 8.470 9.759 61 H ALA 7 H ALA 7 11.527 5.404 3.361 62 HA ALA 7 HA ALA 7 13.835 6.233 1.904 63 HB1 ALA 7 1HB ALA 7 11.421 5.699 0.336 64 HB2 ALA 7 2HB ALA 7 13.018 4.953 0.256 65 HB3 ALA 7 3HB ALA 7 11.852 4.415 1.465 66 H LYS 8 H LYS 8 10.745 7.660 2.622 67 HA LYS 8 HA LYS 8 11.061 9.745 0.621 68 HB2 LYS 8 2HB LYS 8 8.901 10.580 1.500 69 HB3 LYS 8 3HB LYS 8 8.824 8.899 0.989 70 HG2 LYS 8 2HG LYS 8 8.136 8.265 2.994 71 HG3 LYS 8 3HG LYS 8 9.520 9.042 3.766 72 HD2 LYS 8 2HD LYS 8 7.630 10.080 4.706 73 HD3 LYS 8 3HD LYS 8 8.233 11.226 3.506 74 HE2 LYS 8 2HE LYS 8 6.543 10.579 1.943 75 HE3 LYS 8 3HE LYS 8 6.033 9.239 2.968 76 HZ1 LYS 8 1HZ LYS 8 5.867 12.079 3.805 77 HZ2 LYS 8 2HZ LYS 8 5.168 10.738 4.564 78 HZ3 LYS 8 3HZ LYS 8 4.589 11.255 3.061 79 H ILE 9 H ILE 9 11.392 9.291 4.078 80 HA ILE 9 HA ILE 9 11.661 12.064 4.709 81 HB ILE 9 HB ILE 9 12.090 11.423 6.902 82 HG12 ILE 9 2HG1 ILE 9 12.729 8.839 7.228 83 HG13 ILE 9 3HG1 ILE 9 13.427 9.090 5.632 84 HG21 ILE 9 1HG2 ILE 9 10.726 8.884 6.315 85 HG22 ILE 9 2HG2 ILE 9 10.247 10.217 7.366 86 HG23 ILE 9 3HG2 ILE 9 9.977 10.324 5.626 87 HD11 ILE 9 1HD1 ILE 9 14.351 11.261 6.979 88 HD12 ILE 9 2HD1 ILE 9 14.316 10.035 8.247 89 HD13 ILE 9 3HD1 ILE 9 15.230 9.747 6.766 90 H THR 10 H THR 10 13.815 9.564 3.637 91 HA THR 10 HA THR 10 16.210 11.022 4.359 92 HB THR 10 HB THR 10 17.363 9.188 3.041 93 HG1 THR 10 HG1 THR 10 16.108 7.450 2.397 94 HG21 THR 10 1HG2 THR 10 17.142 9.090 5.473 95 HG22 THR 10 2HG2 THR 10 16.978 7.483 4.765 96 HG23 THR 10 3HG2 THR 10 15.546 8.358 5.307 97 H LYS 11 H LYS 11 17.038 12.601 3.175 98 HA LYS 11 HA LYS 11 16.506 12.618 0.275 99 HB2 LYS 11 2HB LYS 11 16.736 15.137 0.471 100 HB3 LYS 11 3HB LYS 11 15.282 14.438 1.171 101 HG2 LYS 11 2HG LYS 11 17.648 14.848 2.926 102 HG3 LYS 11 3HG LYS 11 16.683 16.249 2.453 103 HD2 LYS 11 2HD LYS 11 14.680 14.715 3.185 104 HD3 LYS 11 3HD LYS 11 15.930 13.892 4.121 105 HE2 LYS 11 2HE LYS 11 15.000 15.516 5.561 106 HE3 LYS 11 3HE LYS 11 16.554 16.164 5.039 107 HZ1 LYS 11 1HZ LYS 11 14.044 16.865 3.645 108 HZ2 LYS 11 2HZ LYS 11 15.526 17.681 3.622 109 HZ3 LYS 11 3HZ LYS 11 14.561 17.719 5.011 110 H LYS 12 H LYS 12 18.793 11.650 2.079 111 HA LYS 12 HA LYS 12 20.942 13.112 0.689 112 HB2 LYS 12 2HB LYS 12 22.252 11.964 2.757 113 HB3 LYS 12 3HB LYS 12 21.591 13.593 2.802 114 HG2 LYS 12 2HG LYS 12 19.811 12.981 4.129 115 HG3 LYS 12 3HG LYS 12 19.892 11.288 3.639 116 HD2 LYS 12 2HD LYS 12 21.726 10.854 5.026 117 HD3 LYS 12 3HD LYS 12 22.115 12.567 5.198 118 HE2 LYS 12 2HE LYS 12 21.147 11.977 7.246 119 HE3 LYS 12 3HE LYS 12 19.851 12.782 6.362 120 HZ1 LYS 12 1HZ LYS 12 18.919 10.658 5.793 121 HZ2 LYS 12 2HZ LYS 12 19.126 10.731 7.470 122 HZ3 LYS 12 3HZ LYS 12 20.207 9.838 6.523 123 H ASN 13 H ASN 13 20.931 10.080 2.534 124 HA ASN 13 HA ASN 13 22.687 8.697 0.924 125 HB2 ASN 13 2HB ASN 13 20.808 8.039 3.040 126 HB3 ASN 13 3HB ASN 13 20.933 6.738 1.860 127 HD21 ASN 13 1HD2 ASN 13 23.108 5.978 1.343 128 HD22 ASN 13 2HD2 ASN 13 24.305 5.983 2.589 129 H MET 14 H MET 14 19.292 9.295 0.447 130 HA MET 14 HA MET 14 18.699 7.289 -1.414 131 HB2 MET 14 2HB MET 14 17.062 8.837 -0.283 132 HB3 MET 14 3HB MET 14 17.561 10.087 -1.414 133 HG2 MET 14 2HG MET 14 15.998 9.356 -2.793 134 HG3 MET 14 3HG MET 14 16.952 7.889 -3.004 135 HE1 MET 14 1HE MET 14 14.529 6.671 -3.656 136 HE2 MET 14 2HE MET 14 15.855 5.768 -2.924 137 HE3 MET 14 3HE MET 14 14.201 5.517 -2.363 138 H ALA 15 H ALA 15 19.716 10.658 -1.986 139 HA ALA 15 HA ALA 15 20.010 10.252 -4.807 140 HB1 ALA 15 1HB ALA 15 21.040 12.527 -4.753 141 HB2 ALA 15 2HB ALA 15 19.425 12.439 -4.048 142 HB3 ALA 15 3HB ALA 15 20.841 12.515 -3.000 143 H HIS 16 H HIS 16 21.790 9.125 -2.316 144 HA HIS 16 HA HIS 16 24.368 9.448 -3.686 145 HB2 HIS 16 2HB HIS 16 23.593 9.398 -0.918 146 HB3 HIS 16 3HB HIS 16 24.737 8.097 -1.233 147 HD1 HIS 16 HD1 HIS 16 24.597 11.615 -0.469 148 HD2 HIS 16 HD2 HIS 16 27.194 9.127 -2.549 149 HE1 HIS 16 HE1 HIS 16 26.758 12.890 -0.639 150 H ILE 17 H ILE 17 21.871 7.212 -3.070 151 HA ILE 17 HA ILE 17 23.148 4.765 -2.975 152 HB ILE 17 HB ILE 17 21.147 3.768 -3.859 153 HG12 ILE 17 2HG1 ILE 17 20.641 6.529 -4.936 154 HG13 ILE 17 3HG1 ILE 17 20.618 4.990 -5.791 155 HG21 ILE 17 1HG2 ILE 17 21.177 4.960 -1.584 156 HG22 ILE 17 2HG2 ILE 17 20.161 6.171 -2.364 157 HG23 ILE 17 3HG2 ILE 17 19.615 4.497 -2.259 158 HD11 ILE 17 1HD1 ILE 17 18.381 5.765 -5.598 159 HD12 ILE 17 2HD1 ILE 17 18.570 4.398 -4.499 160 HD13 ILE 17 3HD1 ILE 17 18.565 6.044 -3.867 161 H ARG 18 H ARG 18 22.426 6.779 -5.784 162 HA ARG 18 HA ARG 18 23.806 4.852 -7.513 163 HB2 ARG 18 2HB ARG 18 22.880 6.253 -9.376 164 HB3 ARG 18 3HB ARG 18 21.663 5.477 -8.371 165 HG2 ARG 18 2HG ARG 18 20.868 7.435 -7.580 166 HG3 ARG 18 3HG ARG 18 22.455 8.206 -7.583 167 HD2 ARG 18 2HD ARG 18 21.286 7.537 -10.218 168 HD3 ARG 18 3HD ARG 18 20.515 8.840 -9.315 169 HE ARG 18 HE ARG 18 23.324 9.191 -9.373 170 HH11 ARG 18 1HH1 ARG 18 20.477 9.469 -11.357 171 HH12 ARG 18 2HH1 ARG 18 21.146 10.705 -12.371 172 HH21 ARG 18 1HH2 ARG 18 24.215 10.818 -10.701 173 HH22 ARG 18 2HH2 ARG 18 23.272 11.471 -11.997 Start of MODEL 4 1 H1 PHE 1 H PHE 1 2.861 -3.268 -2.901 2 HA PHE 1 HA PHE 1 2.601 -1.020 -2.578 3 HB2 PHE 1 2HB PHE 1 2.333 -1.731 0.351 4 HB3 PHE 1 3HB PHE 1 2.013 -0.147 -0.349 5 HD1 PHE 1 HD1 PHE 1 0.376 -0.411 -2.543 6 HD2 PHE 1 HD2 PHE 1 0.457 -2.908 0.903 7 HE1 PHE 1 HE1 PHE 1 -1.956 -1.070 -2.970 8 HE2 PHE 1 HE2 PHE 1 -1.874 -3.572 0.481 9 HZ PHE 1 HZ PHE 1 -3.083 -2.653 -1.457 10 H LEU 2 H LEU 2 4.280 0.283 -2.845 11 HA LEU 2 HA LEU 2 6.628 -0.076 -1.101 12 HB2 LEU 2 2HB LEU 2 6.369 0.412 -4.026 13 HB3 LEU 2 3HB LEU 2 7.759 1.087 -3.180 14 HG LEU 2 HG LEU 2 8.250 -1.066 -4.271 15 HD11 LEU 2 1HD1 LEU 2 9.060 -0.206 -1.838 16 HD12 LEU 2 2HD1 LEU 2 9.691 -1.640 -2.647 17 HD13 LEU 2 3HD1 LEU 2 8.423 -1.800 -1.431 18 HD21 LEU 2 1HD2 LEU 2 7.204 -3.061 -3.724 19 HD22 LEU 2 2HD2 LEU 2 5.860 -1.920 -3.781 20 HD23 LEU 2 3HD2 LEU 2 6.531 -2.417 -2.226 21 HA PRO 3 HA PRO 3 4.948 4.203 -0.428 22 HB2 PRO 3 2HB PRO 3 5.172 4.118 2.276 23 HB3 PRO 3 3HB PRO 3 3.748 3.527 1.411 24 HG2 PRO 3 2HG PRO 3 6.065 1.989 2.520 25 HG3 PRO 3 3HG PRO 3 4.334 1.608 2.586 26 HD2 PRO 3 2HD PRO 3 6.015 0.445 0.810 27 HD3 PRO 3 3HD PRO 3 4.309 0.767 0.440 28 H LYS 4 H LYS 4 6.015 5.916 1.090 29 HA LYS 4 HA LYS 4 8.940 5.587 0.923 30 HB2 LYS 4 2HB LYS 4 8.625 8.279 0.883 31 HB3 LYS 4 3HB LYS 4 8.762 7.283 -0.560 32 HG2 LYS 4 2HG LYS 4 6.522 7.434 -1.046 33 HG3 LYS 4 3HG LYS 4 6.072 7.762 0.629 34 HD2 LYS 4 2HD LYS 4 5.807 9.757 -0.745 35 HD3 LYS 4 3HD LYS 4 7.078 9.991 0.458 36 HE2 LYS 4 2HE LYS 4 8.782 9.608 -1.199 37 HE3 LYS 4 3HE LYS 4 7.569 9.185 -2.406 38 HZ1 LYS 4 1HZ LYS 4 8.513 11.510 -2.507 39 HZ2 LYS 4 2HZ LYS 4 7.630 11.841 -1.103 40 HZ3 LYS 4 3HZ LYS 4 6.825 11.389 -2.521 41 H LEU 5 H LEU 5 7.360 4.875 3.189 42 HA LEU 5 HA LEU 5 7.012 6.664 5.201 43 HB2 LEU 5 2HB LEU 5 7.281 3.888 4.997 44 HB3 LEU 5 3HB LEU 5 8.430 4.380 6.239 45 HG LEU 5 HG LEU 5 5.837 5.615 6.628 46 HD11 LEU 5 1HD1 LEU 5 4.993 3.610 5.547 47 HD12 LEU 5 2HD1 LEU 5 4.644 3.576 7.275 48 HD13 LEU 5 3HD1 LEU 5 5.961 2.602 6.623 49 HD21 LEU 5 1HD2 LEU 5 6.863 3.665 8.564 50 HD22 LEU 5 2HD2 LEU 5 6.400 5.352 8.785 51 HD23 LEU 5 3HD2 LEU 5 7.993 4.952 8.142 52 H PHE 6 H PHE 6 10.079 5.353 4.065 53 HA PHE 6 HA PHE 6 11.463 7.310 5.779 54 HB2 PHE 6 2HB PHE 6 11.725 4.653 6.094 55 HB3 PHE 6 3HB PHE 6 12.953 4.913 4.859 56 HD1 PHE 6 HD1 PHE 6 15.073 5.603 5.471 57 HD2 PHE 6 HD2 PHE 6 11.835 6.177 8.173 58 HE1 PHE 6 HE1 PHE 6 16.655 6.351 7.201 59 HE2 PHE 6 HE2 PHE 6 13.411 6.927 9.907 60 HZ PHE 6 HZ PHE 6 15.824 7.016 9.422 61 H ALA 7 H ALA 7 10.743 6.369 2.656 62 HA ALA 7 HA ALA 7 13.182 7.052 1.345 63 HB1 ALA 7 1HB ALA 7 10.728 7.340 -0.225 64 HB2 ALA 7 2HB ALA 7 12.156 6.346 -0.517 65 HB3 ALA 7 3HB ALA 7 10.897 5.780 0.580 66 H LYS 8 H LYS 8 10.411 8.837 2.455 67 HA LYS 8 HA LYS 8 11.138 11.216 0.951 68 HB2 LYS 8 2HB LYS 8 9.165 12.225 2.059 69 HB3 LYS 8 3HB LYS 8 8.777 10.744 1.194 70 HG2 LYS 8 2HG LYS 8 7.959 9.821 3.031 71 HG3 LYS 8 3HG LYS 8 9.456 10.136 3.912 72 HD2 LYS 8 2HD LYS 8 7.791 11.277 5.116 73 HD3 LYS 8 3HD LYS 8 8.605 12.526 4.172 74 HE2 LYS 8 2HE LYS 8 6.341 11.264 2.808 75 HE3 LYS 8 3HE LYS 8 5.904 12.137 4.276 76 HZ1 LYS 8 1HZ LYS 8 5.840 13.855 2.839 77 HZ2 LYS 8 2HZ LYS 8 6.923 13.152 1.746 78 HZ3 LYS 8 3HZ LYS 8 7.504 13.912 3.142 79 H ILE 9 H ILE 9 11.339 9.954 4.212 80 HA ILE 9 HA ILE 9 12.120 12.419 5.428 81 HB ILE 9 HB ILE 9 12.396 11.239 7.412 82 HG12 ILE 9 2HG1 ILE 9 12.531 8.574 7.143 83 HG13 ILE 9 3HG1 ILE 9 13.282 9.038 5.620 84 HG21 ILE 9 1HG2 ILE 9 10.128 10.866 5.993 85 HG22 ILE 9 2HG2 ILE 9 10.583 9.195 6.322 86 HG23 ILE 9 3HG2 ILE 9 10.352 10.325 7.657 87 HD11 ILE 9 1HD1 ILE 9 15.160 9.061 6.828 88 HD12 ILE 9 2HD1 ILE 9 14.594 10.643 7.365 89 HD13 ILE 9 3HD1 ILE 9 14.296 9.216 8.357 90 H THR 10 H THR 10 13.774 9.861 3.766 91 HA THR 10 HA THR 10 16.394 10.649 4.716 92 HB THR 10 HB THR 10 17.194 8.970 2.992 93 HG1 THR 10 HG1 THR 10 15.257 9.068 1.694 94 HG21 THR 10 1HG2 THR 10 15.227 8.013 5.076 95 HG22 THR 10 2HG2 THR 10 16.931 8.378 5.348 96 HG23 THR 10 3HG2 THR 10 16.473 7.028 4.310 97 H LYS 11 H LYS 11 17.519 12.268 3.881 98 HA LYS 11 HA LYS 11 17.032 13.025 1.074 99 HB2 LYS 11 2HB LYS 11 17.733 15.349 1.811 100 HB3 LYS 11 3HB LYS 11 16.164 14.797 2.384 101 HG2 LYS 11 2HG LYS 11 18.542 14.359 4.114 102 HG3 LYS 11 3HG LYS 11 17.865 15.985 3.991 103 HD2 LYS 11 2HD LYS 11 15.599 14.733 4.427 104 HD3 LYS 11 3HD LYS 11 16.657 13.500 5.119 105 HE2 LYS 11 2HE LYS 11 17.132 16.308 5.936 106 HE3 LYS 11 3HE LYS 11 15.671 15.531 6.545 107 HZ1 LYS 11 1HZ LYS 11 17.859 15.346 7.876 108 HZ2 LYS 11 2HZ LYS 11 18.260 14.147 6.753 109 HZ3 LYS 11 3HZ LYS 11 16.877 13.978 7.713 110 H LYS 12 H LYS 12 19.074 11.272 2.551 111 HA LYS 12 HA LYS 12 21.476 12.577 1.448 112 HB2 LYS 12 2HB LYS 12 22.523 10.779 3.174 113 HB3 LYS 12 3HB LYS 12 22.181 12.452 3.594 114 HG2 LYS 12 2HG LYS 12 20.303 11.906 4.810 115 HG3 LYS 12 3HG LYS 12 20.068 10.377 3.959 116 HD2 LYS 12 2HD LYS 12 20.964 9.474 5.815 117 HD3 LYS 12 3HD LYS 12 22.498 9.972 5.099 118 HE2 LYS 12 2HE LYS 12 22.622 10.816 7.261 119 HE3 LYS 12 3HE LYS 12 22.088 12.206 6.316 120 HZ1 LYS 12 1HZ LYS 12 20.191 12.304 7.444 121 HZ2 LYS 12 2HZ LYS 12 20.872 11.217 8.546 122 HZ3 LYS 12 3HZ LYS 12 19.898 10.645 7.287 123 H ASN 13 H ASN 13 20.873 9.271 2.586 124 HA ASN 13 HA ASN 13 22.353 7.973 0.659 125 HB2 ASN 13 2HB ASN 13 20.346 7.226 2.629 126 HB3 ASN 13 3HB ASN 13 20.264 6.210 1.192 127 HD21 ASN 13 1HD2 ASN 13 20.953 4.461 2.499 128 HD22 ASN 13 2HD2 ASN 13 22.619 4.273 2.916 129 H MET 14 H MET 14 19.137 9.283 0.429 130 HA MET 14 HA MET 14 18.198 7.884 -1.806 131 HB2 MET 14 2HB MET 14 16.868 9.420 -0.313 132 HB3 MET 14 3HB MET 14 17.606 10.774 -1.158 133 HG2 MET 14 2HG MET 14 15.949 10.669 -2.614 134 HG3 MET 14 3HG MET 14 16.612 9.134 -3.171 135 HE1 MET 14 1HE MET 14 14.854 7.106 -3.395 136 HE2 MET 14 2HE MET 14 16.074 6.892 -2.139 137 HE3 MET 14 3HE MET 14 14.393 6.463 -1.819 138 H ALA 15 H ALA 15 19.836 11.047 -1.657 139 HA ALA 15 HA ALA 15 20.080 11.227 -4.506 140 HB1 ALA 15 1HB ALA 15 21.288 12.839 -2.268 141 HB2 ALA 15 2HB ALA 15 21.530 13.199 -3.978 142 HB3 ALA 15 3HB ALA 15 19.910 13.265 -3.283 143 H HIS 16 H HIS 16 21.589 9.267 -2.379 144 HA HIS 16 HA HIS 16 24.197 9.400 -3.725 145 HB2 HIS 16 2HB HIS 16 23.395 8.884 -1.012 146 HB3 HIS 16 3HB HIS 16 24.278 7.496 -1.640 147 HD1 HIS 16 HD1 HIS 16 24.719 10.976 -0.487 148 HD2 HIS 16 HD2 HIS 16 26.973 8.060 -2.404 149 HE1 HIS 16 HE1 HIS 16 27.101 11.768 -0.347 150 H ILE 17 H ILE 17 21.317 7.587 -3.536 151 HA ILE 17 HA ILE 17 22.110 4.986 -4.019 152 HB ILE 17 HB ILE 17 19.968 4.599 -5.038 153 HG12 ILE 17 2HG1 ILE 17 20.001 7.574 -5.468 154 HG13 ILE 17 3HG1 ILE 17 19.699 6.294 -6.638 155 HG21 ILE 17 1HG2 ILE 17 20.195 5.231 -2.559 156 HG22 ILE 17 2HG2 ILE 17 19.434 6.752 -3.022 157 HG23 ILE 17 3HG2 ILE 17 18.582 5.228 -3.271 158 HD11 ILE 17 1HD1 ILE 17 17.645 7.408 -6.211 159 HD12 ILE 17 2HD1 ILE 17 17.562 5.822 -5.445 160 HD13 ILE 17 3HD1 ILE 17 17.860 7.259 -4.467 161 H ARG 18 H ARG 18 21.810 7.670 -6.296 162 HA ARG 18 HA ARG 18 22.228 6.196 -8.656 163 HB2 ARG 18 2HB ARG 18 21.533 8.732 -8.185 164 HB3 ARG 18 3HB ARG 18 23.246 8.986 -8.487 165 HG2 ARG 18 2HG ARG 18 22.810 7.566 -10.620 166 HG3 ARG 18 3HG ARG 18 21.124 8.007 -10.339 167 HD2 ARG 18 2HD ARG 18 21.502 10.242 -10.727 168 HD3 ARG 18 3HD ARG 18 23.205 10.139 -10.280 169 HE ARG 18 HE ARG 18 22.102 9.813 -12.883 170 HH11 ARG 18 1HH1 ARG 18 24.658 8.726 -10.783 171 HH12 ARG 18 2HH1 ARG 18 25.728 8.315 -12.082 172 HH21 ARG 18 1HH2 ARG 18 23.502 9.277 -14.602 173 HH22 ARG 18 2HH2 ARG 18 25.070 8.630 -14.254 Start of MODEL 5 1 H1 PHE 1 H PHE 1 4.029 0.537 4.498 2 HA PHE 1 HA PHE 1 2.093 -0.002 3.341 3 HB2 PHE 1 2HB PHE 1 1.553 2.970 3.481 4 HB3 PHE 1 3HB PHE 1 0.491 1.811 2.688 5 HD1 PHE 1 HD1 PHE 1 -0.538 -0.026 4.077 6 HD2 PHE 1 HD2 PHE 1 1.432 3.338 5.786 7 HE1 PHE 1 HE1 PHE 1 -1.671 -0.455 6.218 8 HE2 PHE 1 HE2 PHE 1 0.302 2.914 7.930 9 HZ PHE 1 HZ PHE 1 -1.251 1.015 8.149 10 H LEU 2 H LEU 2 4.082 2.737 2.404 11 HA LEU 2 HA LEU 2 3.735 2.057 -0.426 12 HB2 LEU 2 2HB LEU 2 4.711 4.466 1.041 13 HB3 LEU 2 3HB LEU 2 5.222 4.200 -0.625 14 HG LEU 2 HG LEU 2 3.319 5.736 -0.473 15 HD11 LEU 2 1HD1 LEU 2 1.895 4.639 -2.121 16 HD12 LEU 2 2HD1 LEU 2 2.630 3.084 -1.732 17 HD13 LEU 2 3HD1 LEU 2 3.602 4.359 -2.467 18 HD21 LEU 2 1HD2 LEU 2 2.409 4.427 1.591 19 HD22 LEU 2 2HD2 LEU 2 1.561 3.474 0.373 20 HD23 LEU 2 3HD2 LEU 2 1.287 5.214 0.480 21 HA PRO 3 HA PRO 3 7.682 0.190 -0.862 22 HB2 PRO 3 2HB PRO 3 8.484 1.103 -3.289 23 HB3 PRO 3 3HB PRO 3 7.194 -0.089 -3.089 24 HG2 PRO 3 2HG PRO 3 6.991 2.862 -3.549 25 HG3 PRO 3 3HG PRO 3 6.051 1.549 -4.281 26 HD2 PRO 3 2HD PRO 3 5.102 3.059 -2.244 27 HD3 PRO 3 3HD PRO 3 4.665 1.351 -2.450 28 H LYS 4 H LYS 4 7.401 3.620 -0.874 29 HA LYS 4 HA LYS 4 10.294 3.871 -0.363 30 HB2 LYS 4 2HB LYS 4 9.560 6.407 -0.976 31 HB3 LYS 4 3HB LYS 4 10.202 5.259 -2.143 32 HG2 LYS 4 2HG LYS 4 8.151 4.878 -3.105 33 HG3 LYS 4 3HG LYS 4 7.263 5.351 -1.654 34 HD2 LYS 4 2HD LYS 4 7.014 7.025 -3.407 35 HD3 LYS 4 3HD LYS 4 7.901 7.687 -2.032 36 HE2 LYS 4 2HE LYS 4 8.918 8.352 -4.152 37 HE3 LYS 4 3HE LYS 4 10.007 7.335 -3.209 38 HZ1 LYS 4 1HZ LYS 4 9.744 5.572 -4.641 39 HZ2 LYS 4 2HZ LYS 4 9.691 6.877 -5.716 40 HZ3 LYS 4 3HZ LYS 4 8.257 6.117 -5.239 41 H LEU 5 H LEU 5 8.357 3.193 1.618 42 HA LEU 5 HA LEU 5 7.246 5.149 3.137 43 HB2 LEU 5 2HB LEU 5 7.873 2.498 3.506 44 HB3 LEU 5 3HB LEU 5 8.800 3.299 4.773 45 HG LEU 5 HG LEU 5 5.857 3.788 4.414 46 HD11 LEU 5 1HD1 LEU 5 7.205 1.612 6.002 47 HD12 LEU 5 2HD1 LEU 5 6.043 1.418 4.690 48 HD13 LEU 5 3HD1 LEU 5 5.529 2.115 6.226 49 HD21 LEU 5 1HD2 LEU 5 7.089 3.836 7.066 50 HD22 LEU 5 2HD2 LEU 5 6.003 4.993 6.295 51 HD23 LEU 5 3HD2 LEU 5 7.733 5.042 5.951 52 H PHE 6 H PHE 6 10.669 4.337 2.935 53 HA PHE 6 HA PHE 6 11.260 6.765 4.497 54 HB2 PHE 6 2HB PHE 6 11.872 4.292 5.355 55 HB3 PHE 6 3HB PHE 6 13.301 4.613 4.378 56 HD1 PHE 6 HD1 PHE 6 15.068 5.802 5.276 57 HD2 PHE 6 HD2 PHE 6 11.227 6.095 7.086 58 HE1 PHE 6 HE1 PHE 6 16.042 7.102 7.124 59 HE2 PHE 6 HE2 PHE 6 12.194 7.396 8.936 60 HZ PHE 6 HZ PHE 6 14.605 7.902 8.957 61 H ALA 7 H ALA 7 11.476 5.248 1.528 62 HA ALA 7 HA ALA 7 14.011 6.213 0.648 63 HB1 ALA 7 1HB ALA 7 11.994 5.762 -1.424 64 HB2 ALA 7 2HB ALA 7 13.593 5.046 -1.218 65 HB3 ALA 7 3HB ALA 7 12.217 4.405 -0.320 66 H LYS 8 H LYS 8 10.800 7.540 0.798 67 HA LYS 8 HA LYS 8 11.465 9.771 -0.944 68 HB2 LYS 8 2HB LYS 8 9.146 10.508 -0.482 69 HB3 LYS 8 3HB LYS 8 9.225 8.868 -1.112 70 HG2 LYS 8 2HG LYS 8 8.153 8.081 0.656 71 HG3 LYS 8 3HG LYS 8 9.324 8.818 1.753 72 HD2 LYS 8 2HD LYS 8 7.285 9.786 2.362 73 HD3 LYS 8 3HD LYS 8 8.045 11.003 1.334 74 HE2 LYS 8 2HE LYS 8 6.142 11.007 0.170 75 HE3 LYS 8 3HE LYS 8 6.646 9.436 -0.453 76 HZ1 LYS 8 1HZ LYS 8 5.453 9.078 2.063 77 HZ2 LYS 8 2HZ LYS 8 4.929 8.508 0.560 78 HZ3 LYS 8 3HZ LYS 8 4.418 10.022 1.115 79 H ILE 9 H ILE 9 11.082 9.069 2.466 80 HA ILE 9 HA ILE 9 11.134 11.792 3.329 81 HB ILE 9 HB ILE 9 11.114 10.999 5.513 82 HG12 ILE 9 2HG1 ILE 9 11.746 8.407 5.789 83 HG13 ILE 9 3HG1 ILE 9 12.754 8.784 4.397 84 HG21 ILE 9 1HG2 ILE 9 9.251 9.735 5.496 85 HG22 ILE 9 2HG2 ILE 9 9.346 9.968 3.751 86 HG23 ILE 9 3HG2 ILE 9 9.977 8.491 4.478 87 HD11 ILE 9 1HD1 ILE 9 13.067 9.522 7.195 88 HD12 ILE 9 2HD1 ILE 9 14.265 9.410 5.905 89 HD13 ILE 9 3HD1 ILE 9 13.288 10.867 6.077 90 H THR 10 H THR 10 13.535 9.407 2.563 91 HA THR 10 HA THR 10 15.684 10.839 3.872 92 HB THR 10 HB THR 10 17.138 9.124 2.698 93 HG1 THR 10 HG1 THR 10 16.217 7.705 1.400 94 HG21 THR 10 1HG2 THR 10 14.914 8.107 4.472 95 HG22 THR 10 2HG2 THR 10 16.425 8.838 5.015 96 HG23 THR 10 3HG2 THR 10 16.447 7.287 4.176 97 H LYS 11 H LYS 11 16.696 12.513 3.002 98 HA LYS 11 HA LYS 11 16.779 12.740 0.064 99 HB2 LYS 11 2HB LYS 11 16.892 15.240 0.482 100 HB3 LYS 11 3HB LYS 11 15.344 14.472 0.807 101 HG2 LYS 11 2HG LYS 11 17.275 14.778 3.047 102 HG3 LYS 11 3HG LYS 11 16.391 16.198 2.483 103 HD2 LYS 11 2HD LYS 11 14.323 14.591 2.663 104 HD3 LYS 11 3HD LYS 11 15.371 13.710 3.777 105 HE2 LYS 11 2HE LYS 11 15.650 16.352 4.550 106 HE3 LYS 11 3HE LYS 11 13.940 16.212 4.145 107 HZ1 LYS 11 1HZ LYS 11 13.582 15.122 6.021 108 HZ2 LYS 11 2HZ LYS 11 15.193 15.378 6.469 109 HZ3 LYS 11 3HZ LYS 11 14.759 13.966 5.646 110 H LYS 12 H LYS 12 18.666 11.670 2.235 111 HA LYS 12 HA LYS 12 21.015 13.260 1.433 112 HB2 LYS 12 2HB LYS 12 21.898 11.978 3.644 113 HB3 LYS 12 3HB LYS 12 21.196 13.591 3.664 114 HG2 LYS 12 2HG LYS 12 19.196 12.857 4.541 115 HG3 LYS 12 3HG LYS 12 19.427 11.206 3.961 116 HD2 LYS 12 2HD LYS 12 21.158 12.448 6.087 117 HD3 LYS 12 3HD LYS 12 19.678 11.560 6.456 118 HE2 LYS 12 2HE LYS 12 20.664 9.644 5.123 119 HE3 LYS 12 3HE LYS 12 22.185 10.536 5.143 120 HZ1 LYS 12 1HZ LYS 12 20.923 9.019 7.234 121 HZ2 LYS 12 2HZ LYS 12 21.434 10.549 7.741 122 HZ3 LYS 12 3HZ LYS 12 22.543 9.472 7.055 123 H ASN 13 H ASN 13 20.708 10.099 3.016 124 HA ASN 13 HA ASN 13 22.798 8.864 1.717 125 HB2 ASN 13 2HB ASN 13 20.634 8.059 3.419 126 HB3 ASN 13 3HB ASN 13 20.830 6.869 2.136 127 HD21 ASN 13 1HD2 ASN 13 21.475 7.021 5.115 128 HD22 ASN 13 2HD2 ASN 13 23.098 6.434 5.207 129 H MET 14 H MET 14 19.561 9.449 0.582 130 HA MET 14 HA MET 14 19.426 7.582 -1.498 131 HB2 MET 14 2HB MET 14 17.546 9.017 -0.629 132 HB3 MET 14 3HB MET 14 18.233 10.355 -1.539 133 HG2 MET 14 2HG MET 14 17.012 9.708 -3.263 134 HG3 MET 14 3HG MET 14 18.032 8.275 -3.373 135 HE1 MET 14 1HE MET 14 15.303 6.375 -4.136 136 HE2 MET 14 2HE MET 14 17.047 6.639 -4.099 137 HE3 MET 14 3HE MET 14 16.299 5.525 -2.954 138 H ALA 15 H ALA 15 20.441 10.998 -1.605 139 HA ALA 15 HA ALA 15 21.328 10.809 -4.323 140 HB1 ALA 15 1HB ALA 15 22.199 12.997 -2.487 141 HB2 ALA 15 2HB ALA 15 21.778 13.068 -4.198 142 HB3 ALA 15 3HB ALA 15 20.511 12.889 -2.985 143 H HIS 16 H HIS 16 22.583 9.524 -1.600 144 HA HIS 16 HA HIS 16 25.379 9.984 -2.373 145 HB2 HIS 16 2HB HIS 16 24.046 9.714 0.160 146 HB3 HIS 16 3HB HIS 16 25.269 8.456 0.000 147 HD1 HIS 16 HD1 HIS 16 27.756 9.284 -0.351 148 HD2 HIS 16 HD2 HIS 16 25.014 12.249 0.627 149 HE1 HIS 16 HE1 HIS 16 29.133 11.265 0.361 150 H ILE 17 H ILE 17 22.875 7.674 -2.455 151 HA ILE 17 HA ILE 17 24.176 5.244 -2.269 152 HB ILE 17 HB ILE 17 22.432 4.290 -3.620 153 HG12 ILE 17 2HG1 ILE 17 22.081 7.116 -4.582 154 HG13 ILE 17 3HG1 ILE 17 22.280 5.645 -5.528 155 HG21 ILE 17 1HG2 ILE 17 20.580 4.874 -2.330 156 HG22 ILE 17 2HG2 ILE 17 21.953 5.304 -1.311 157 HG23 ILE 17 3HG2 ILE 17 21.087 6.558 -2.197 158 HD11 ILE 17 1HD1 ILE 17 20.027 4.930 -4.742 159 HD12 ILE 17 2HD1 ILE 17 19.843 6.523 -4.007 160 HD13 ILE 17 3HD1 ILE 17 20.031 6.373 -5.754 161 H ARG 18 H ARG 18 23.993 7.455 -5.017 162 HA ARG 18 HA ARG 18 25.353 5.700 -6.820 163 HB2 ARG 18 2HB ARG 18 24.665 8.633 -6.910 164 HB3 ARG 18 3HB ARG 18 25.582 7.847 -8.188 165 HG2 ARG 18 2HG ARG 18 23.785 6.636 -8.926 166 HG3 ARG 18 3HG ARG 18 22.985 6.660 -7.353 167 HD2 ARG 18 2HD ARG 18 22.550 9.080 -7.665 168 HD3 ARG 18 3HD ARG 18 23.250 8.965 -9.279 169 HE ARG 18 HE ARG 18 21.286 7.060 -9.226 170 HH11 ARG 18 1HH1 ARG 18 21.430 10.496 -8.686 171 HH12 ARG 18 2HH1 ARG 18 19.812 10.782 -9.235 172 HH21 ARG 18 1HH2 ARG 18 19.154 7.424 -9.951 173 HH22 ARG 18 2HH2 ARG 18 18.518 9.034 -9.954 Start of MODEL 6 1 H1 PHE 1 H PHE 1 2.003 0.294 -4.368 2 HA PHE 1 HA PHE 1 4.825 0.282 -5.092 3 HB2 PHE 1 2HB PHE 1 3.225 2.545 -5.556 4 HB3 PHE 1 3HB PHE 1 4.141 2.905 -4.096 5 HD1 PHE 1 HD1 PHE 1 6.709 1.782 -4.458 6 HD2 PHE 1 HD2 PHE 1 4.172 3.563 -7.374 7 HE1 PHE 1 HE1 PHE 1 8.677 2.336 -5.827 8 HE2 PHE 1 HE2 PHE 1 6.135 4.119 -8.748 9 HZ PHE 1 HZ PHE 1 8.392 3.505 -7.976 10 H LEU 2 H LEU 2 6.178 0.229 -3.356 11 HA LEU 2 HA LEU 2 5.076 -0.453 -0.830 12 HB2 LEU 2 2HB LEU 2 7.711 -0.329 -2.067 13 HB3 LEU 2 3HB LEU 2 7.731 0.115 -0.362 14 HG LEU 2 HG LEU 2 6.373 -2.126 -0.101 15 HD11 LEU 2 1HD1 LEU 2 6.442 -3.617 -1.773 16 HD12 LEU 2 2HD1 LEU 2 8.077 -3.162 -2.250 17 HD13 LEU 2 3HD1 LEU 2 6.700 -2.203 -2.795 18 HD21 LEU 2 1HD2 LEU 2 8.496 -3.298 0.273 19 HD22 LEU 2 2HD2 LEU 2 8.519 -1.665 0.941 20 HD23 LEU 2 3HD2 LEU 2 9.350 -2.010 -0.577 21 HA PRO 3 HA PRO 3 4.848 3.376 1.299 22 HB2 PRO 3 2HB PRO 3 5.766 2.729 3.771 23 HB3 PRO 3 3HB PRO 3 4.196 2.196 3.160 24 HG2 PRO 3 2HG PRO 3 6.787 0.702 3.283 25 HG3 PRO 3 3HG PRO 3 5.151 0.139 3.672 26 HD2 PRO 3 2HD PRO 3 6.367 -0.431 1.321 27 HD3 PRO 3 3HD PRO 3 4.611 -0.215 1.459 28 H LYS 4 H LYS 4 6.048 5.124 2.190 29 HA LYS 4 HA LYS 4 8.963 4.889 1.819 30 HB2 LYS 4 2HB LYS 4 8.521 7.546 1.515 31 HB3 LYS 4 3HB LYS 4 8.592 6.402 0.181 32 HG2 LYS 4 2HG LYS 4 6.316 6.413 -0.131 33 HG3 LYS 4 3HG LYS 4 5.982 6.908 1.530 34 HD2 LYS 4 2HD LYS 4 5.519 8.726 -0.026 35 HD3 LYS 4 3HD LYS 4 6.866 9.140 1.037 36 HE2 LYS 4 2HE LYS 4 8.267 9.355 -0.684 37 HE3 LYS 4 3HE LYS 4 7.765 7.812 -1.375 38 HZ1 LYS 4 1HZ LYS 4 5.667 9.249 -2.013 39 HZ2 LYS 4 2HZ LYS 4 7.043 9.204 -2.994 40 HZ3 LYS 4 3HZ LYS 4 6.795 10.508 -1.946 41 H LEU 5 H LEU 5 7.600 4.373 4.271 42 HA LEU 5 HA LEU 5 7.327 6.360 6.101 43 HB2 LEU 5 2HB LEU 5 7.940 3.558 6.168 44 HB3 LEU 5 3HB LEU 5 8.842 4.399 7.426 45 HG LEU 5 HG LEU 5 5.845 4.445 7.071 46 HD11 LEU 5 1HD1 LEU 5 5.728 3.048 8.990 47 HD12 LEU 5 2HD1 LEU 5 7.466 3.168 9.262 48 HD13 LEU 5 3HD1 LEU 5 6.852 2.289 7.863 49 HD21 LEU 5 1HD2 LEU 5 7.604 6.224 8.431 50 HD22 LEU 5 2HD2 LEU 5 6.680 5.317 9.630 51 HD23 LEU 5 3HD2 LEU 5 5.841 6.236 8.378 52 H PHE 6 H PHE 6 10.354 5.049 4.863 53 HA PHE 6 HA PHE 6 11.775 7.236 6.235 54 HB2 PHE 6 2HB PHE 6 12.185 4.642 6.812 55 HB3 PHE 6 3HB PHE 6 13.299 4.810 5.460 56 HD1 PHE 6 HD1 PHE 6 15.426 5.644 5.817 57 HD2 PHE 6 HD2 PHE 6 12.384 6.391 8.699 58 HE1 PHE 6 HE1 PHE 6 17.100 6.640 7.320 59 HE2 PHE 6 HE2 PHE 6 14.053 7.389 10.206 60 HZ PHE 6 HZ PHE 6 16.414 7.515 9.517 61 H ALA 7 H ALA 7 10.858 5.926 3.303 62 HA ALA 7 HA ALA 7 13.152 6.551 1.728 63 HB1 ALA 7 1HB ALA 7 10.573 6.569 0.344 64 HB2 ALA 7 2HB ALA 7 12.018 5.603 0.044 65 HB3 ALA 7 3HB ALA 7 10.876 5.116 1.297 66 H LYS 8 H LYS 8 10.396 8.342 2.865 67 HA LYS 8 HA LYS 8 10.891 10.565 1.058 68 HB2 LYS 8 2HB LYS 8 8.966 11.615 2.210 69 HB3 LYS 8 3HB LYS 8 8.581 10.033 1.545 70 HG2 LYS 8 2HG LYS 8 7.953 9.291 3.533 71 HG3 LYS 8 3HG LYS 8 9.498 9.758 4.247 72 HD2 LYS 8 2HD LYS 8 7.878 10.960 5.454 73 HD3 LYS 8 3HD LYS 8 8.563 12.127 4.321 74 HE2 LYS 8 2HE LYS 8 6.676 11.924 2.867 75 HE3 LYS 8 3HE LYS 8 6.039 10.568 3.797 76 HZ1 LYS 8 1HZ LYS 8 6.116 12.361 5.703 77 HZ2 LYS 8 2HZ LYS 8 4.794 12.242 4.654 78 HZ3 LYS 8 3HZ LYS 8 5.974 13.427 4.397 79 H ILE 9 H ILE 9 11.405 9.683 4.408 80 HA ILE 9 HA ILE 9 12.163 12.295 5.282 81 HB ILE 9 HB ILE 9 12.648 11.355 7.352 82 HG12 ILE 9 2HG1 ILE 9 12.885 8.684 7.362 83 HG13 ILE 9 3HG1 ILE 9 13.492 9.003 5.741 84 HG21 ILE 9 1HG2 ILE 9 10.853 9.135 6.647 85 HG22 ILE 9 2HG2 ILE 9 10.675 10.399 7.862 86 HG23 ILE 9 3HG2 ILE 9 10.295 10.740 6.174 87 HD11 ILE 9 1HD1 ILE 9 15.454 9.214 6.795 88 HD12 ILE 9 2HD1 ILE 9 14.870 10.836 7.166 89 HD13 ILE 9 3HD1 ILE 9 14.700 9.544 8.354 90 H THR 10 H THR 10 13.800 9.633 3.775 91 HA THR 10 HA THR 10 16.446 10.621 4.413 92 HB THR 10 HB THR 10 17.186 8.791 2.822 93 HG1 THR 10 HG1 THR 10 15.620 7.341 2.135 94 HG21 THR 10 1HG2 THR 10 16.664 6.982 4.398 95 HG22 THR 10 2HG2 THR 10 15.435 7.998 5.152 96 HG23 THR 10 3HG2 THR 10 17.135 8.457 5.242 97 H LYS 11 H LYS 11 17.425 12.178 3.318 98 HA LYS 11 HA LYS 11 16.685 12.596 0.495 99 HB2 LYS 11 2HB LYS 11 17.331 15.014 0.915 100 HB3 LYS 11 3HB LYS 11 15.839 14.470 1.671 101 HG2 LYS 11 2HG LYS 11 18.362 14.320 3.237 102 HG3 LYS 11 3HG LYS 11 17.602 15.894 2.994 103 HD2 LYS 11 2HD LYS 11 15.439 14.611 3.749 104 HD3 LYS 11 3HD LYS 11 16.605 13.507 4.481 105 HE2 LYS 11 2HE LYS 11 17.651 15.523 5.573 106 HE3 LYS 11 3HE LYS 11 16.262 16.452 5.011 107 HZ1 LYS 11 1HZ LYS 11 16.458 14.569 7.187 108 HZ2 LYS 11 2HZ LYS 11 15.094 14.348 6.213 109 HZ3 LYS 11 3HZ LYS 11 15.371 15.844 6.954 110 H LYS 12 H LYS 12 18.917 11.100 1.979 111 HA LYS 12 HA LYS 12 21.159 12.359 0.537 112 HB2 LYS 12 2HB LYS 12 22.438 10.842 2.363 113 HB3 LYS 12 3HB LYS 12 22.020 12.530 2.626 114 HG2 LYS 12 2HG LYS 12 20.043 10.440 3.379 115 HG3 LYS 12 3HG LYS 12 21.455 10.691 4.409 116 HD2 LYS 12 2HD LYS 12 20.127 13.169 3.599 117 HD3 LYS 12 3HD LYS 12 19.106 12.095 4.558 118 HE2 LYS 12 2HE LYS 12 20.125 13.238 6.246 119 HE3 LYS 12 3HE LYS 12 21.297 11.938 6.037 120 HZ1 LYS 12 1HZ LYS 12 21.614 14.413 4.488 121 HZ2 LYS 12 2HZ LYS 12 22.792 13.324 5.022 122 HZ3 LYS 12 3HZ LYS 12 22.077 14.399 6.115 123 H ASN 13 H ASN 13 20.804 9.195 2.106 124 HA ASN 13 HA ASN 13 22.193 7.728 0.233 125 HB2 ASN 13 2HB ASN 13 20.421 7.160 2.453 126 HB3 ASN 13 3HB ASN 13 20.196 5.992 1.154 127 HD21 ASN 13 1HD2 ASN 13 21.478 5.928 3.895 128 HD22 ASN 13 2HD2 ASN 13 23.022 5.206 3.617 129 H MET 14 H MET 14 18.910 8.878 0.111 130 HA MET 14 HA MET 14 17.873 7.184 -1.861 131 HB2 MET 14 2HB MET 14 16.588 8.836 -0.457 132 HB3 MET 14 3HB MET 14 17.194 10.105 -1.512 133 HG2 MET 14 2HG MET 14 15.438 9.761 -2.807 134 HG3 MET 14 3HG MET 14 16.131 8.198 -3.232 135 HE1 MET 14 1HE MET 14 12.623 7.135 -2.994 136 HE2 MET 14 2HE MET 14 14.065 7.504 -3.941 137 HE3 MET 14 3HE MET 14 14.006 6.041 -2.956 138 H ALA 15 H ALA 15 19.364 10.402 -2.218 139 HA ALA 15 HA ALA 15 19.384 10.246 -5.079 140 HB1 ALA 15 1HB ALA 15 20.622 12.165 -3.123 141 HB2 ALA 15 2HB ALA 15 20.823 12.312 -4.870 142 HB3 ALA 15 3HB ALA 15 19.214 12.414 -4.156 143 H HIS 16 H HIS 16 21.140 8.617 -2.864 144 HA HIS 16 HA HIS 16 23.630 8.687 -4.422 145 HB2 HIS 16 2HB HIS 16 23.061 8.471 -1.612 146 HB3 HIS 16 3HB HIS 16 23.959 7.052 -2.142 147 HD1 HIS 16 HD1 HIS 16 24.816 9.802 -0.446 148 HD2 HIS 16 HD2 HIS 16 26.060 8.485 -4.185 149 HE1 HIS 16 HE1 HIS 16 27.035 10.915 -0.846 150 H ILE 17 H ILE 17 20.863 6.800 -3.792 151 HA ILE 17 HA ILE 17 21.741 4.192 -4.029 152 HB ILE 17 HB ILE 17 19.549 3.603 -4.818 153 HG12 ILE 17 2HG1 ILE 17 19.407 6.503 -5.596 154 HG13 ILE 17 3HG1 ILE 17 19.079 5.080 -6.579 155 HG21 ILE 17 1HG2 ILE 17 18.271 4.387 -3.032 156 HG22 ILE 17 2HG2 ILE 17 19.931 4.535 -2.458 157 HG23 ILE 17 3HG2 ILE 17 19.066 5.961 -3.032 158 HD11 ILE 17 1HD1 ILE 17 17.012 6.158 -6.122 159 HD12 ILE 17 2HD1 ILE 17 17.063 4.674 -5.170 160 HD13 ILE 17 3HD1 ILE 17 17.365 6.229 -4.395 161 H ARG 18 H ARG 18 21.141 6.568 -6.572 162 HA ARG 18 HA ARG 18 21.646 4.722 -8.708 163 HB2 ARG 18 2HB ARG 18 21.586 6.730 -10.146 164 HB3 ARG 18 3HB ARG 18 20.188 6.624 -9.084 165 HG2 ARG 18 2HG ARG 18 22.134 8.113 -7.702 166 HG3 ARG 18 3HG ARG 18 22.091 8.732 -9.355 167 HD2 ARG 18 2HD ARG 18 19.492 8.622 -8.978 168 HD3 ARG 18 3HD ARG 18 19.953 8.692 -7.278 169 HE ARG 18 HE ARG 18 21.328 10.721 -8.580 170 HH11 ARG 18 1HH1 ARG 18 18.027 9.845 -7.908 171 HH12 ARG 18 2HH1 ARG 18 17.460 11.482 -7.885 172 HH21 ARG 18 1HH2 ARG 18 20.594 12.880 -8.552 173 HH22 ARG 18 2HH2 ARG 18 18.921 13.208 -8.252 Start of MODEL 7 1 H1 PHE 1 H PHE 1 2.385 -3.779 -3.110 2 HA PHE 1 HA PHE 1 2.640 -1.323 -3.015 3 HB2 PHE 1 2HB PHE 1 3.149 -2.922 -0.518 4 HB3 PHE 1 3HB PHE 1 3.039 -1.165 -0.469 5 HD1 PHE 1 HD1 PHE 1 0.908 -0.160 -1.631 6 HD2 PHE 1 HD2 PHE 1 1.239 -4.160 -0.213 7 HE1 PHE 1 HE1 PHE 1 -1.545 -0.316 -1.509 8 HE2 PHE 1 HE2 PHE 1 -1.213 -4.323 -0.090 9 HZ PHE 1 HZ PHE 1 -2.608 -2.400 -0.739 10 H LEU 2 H LEU 2 4.037 0.307 -1.656 11 HA LEU 2 HA LEU 2 6.812 -0.187 -1.396 12 HB2 LEU 2 2HB LEU 2 7.525 1.370 -3.240 13 HB3 LEU 2 3HB LEU 2 6.947 -0.216 -3.745 14 HG LEU 2 HG LEU 2 4.807 1.731 -3.742 15 HD11 LEU 2 1HD1 LEU 2 6.857 2.321 -5.820 16 HD12 LEU 2 2HD1 LEU 2 6.997 3.085 -4.237 17 HD13 LEU 2 3HD1 LEU 2 5.545 3.329 -5.207 18 HD21 LEU 2 1HD2 LEU 2 4.386 -0.159 -4.976 19 HD22 LEU 2 2HD2 LEU 2 6.035 -0.257 -5.594 20 HD23 LEU 2 3HD2 LEU 2 4.922 0.949 -6.239 21 HA PRO 3 HA PRO 3 5.003 3.549 0.717 22 HB2 PRO 3 2HB PRO 3 5.766 2.808 3.215 23 HB3 PRO 3 3HB PRO 3 4.237 2.300 2.487 24 HG2 PRO 3 2HG PRO 3 6.818 0.800 2.714 25 HG3 PRO 3 3HG PRO 3 5.162 0.224 2.978 26 HD2 PRO 3 2HD PRO 3 6.524 -0.256 0.687 27 HD3 PRO 3 3HD PRO 3 4.761 -0.044 0.724 28 H LYS 4 H LYS 4 6.141 5.269 1.721 29 HA LYS 4 HA LYS 4 9.075 5.040 1.545 30 HB2 LYS 4 2HB LYS 4 8.651 7.705 1.284 31 HB3 LYS 4 3HB LYS 4 8.818 6.597 -0.072 32 HG2 LYS 4 2HG LYS 4 6.569 6.614 -0.541 33 HG3 LYS 4 3HG LYS 4 6.120 7.070 1.104 34 HD2 LYS 4 2HD LYS 4 5.764 8.924 -0.438 35 HD3 LYS 4 3HD LYS 4 7.033 9.313 0.726 36 HE2 LYS 4 2HE LYS 4 8.740 8.921 -0.892 37 HE3 LYS 4 3HE LYS 4 7.583 8.235 -2.032 38 HZ1 LYS 4 1HZ LYS 4 6.489 10.481 -2.020 39 HZ2 LYS 4 2HZ LYS 4 8.014 10.419 -2.749 40 HZ3 LYS 4 3HZ LYS 4 7.846 11.064 -1.194 41 H LEU 5 H LEU 5 7.549 4.460 3.883 42 HA LEU 5 HA LEU 5 7.147 6.395 5.743 43 HB2 LEU 5 2HB LEU 5 7.996 3.591 5.827 44 HB3 LEU 5 3HB LEU 5 8.433 4.524 7.257 45 HG LEU 5 HG LEU 5 6.288 3.279 7.458 46 HD11 LEU 5 1HD1 LEU 5 5.492 6.120 7.581 47 HD12 LEU 5 2HD1 LEU 5 6.950 5.670 8.465 48 HD13 LEU 5 3HD1 LEU 5 5.422 4.862 8.816 49 HD21 LEU 5 1HD2 LEU 5 5.767 3.963 4.944 50 HD22 LEU 5 2HD2 LEU 5 4.943 5.298 5.750 51 HD23 LEU 5 3HD2 LEU 5 4.488 3.632 6.113 52 H PHE 6 H PHE 6 10.257 5.119 4.685 53 HA PHE 6 HA PHE 6 11.572 7.276 6.202 54 HB2 PHE 6 2HB PHE 6 11.948 4.666 6.741 55 HB3 PHE 6 3HB PHE 6 13.160 4.876 5.482 56 HD1 PHE 6 HD1 PHE 6 15.249 5.706 6.023 57 HD2 PHE 6 HD2 PHE 6 11.992 6.368 8.683 58 HE1 PHE 6 HE1 PHE 6 16.798 6.668 7.675 59 HE2 PHE 6 HE2 PHE 6 13.535 7.332 10.338 60 HZ PHE 6 HZ PHE 6 15.941 7.484 9.835 61 H ALA 7 H ALA 7 10.863 6.035 3.184 62 HA ALA 7 HA ALA 7 13.261 6.695 1.788 63 HB1 ALA 7 1HB ALA 7 12.249 5.785 0.009 64 HB2 ALA 7 2HB ALA 7 11.021 5.271 1.167 65 HB3 ALA 7 3HB ALA 7 10.785 6.745 0.228 66 H LYS 8 H LYS 8 10.434 8.462 2.777 67 HA LYS 8 HA LYS 8 11.051 10.726 1.059 68 HB2 LYS 8 2HB LYS 8 9.047 11.749 2.098 69 HB3 LYS 8 3HB LYS 8 8.713 10.184 1.367 70 HG2 LYS 8 2HG LYS 8 7.944 9.394 3.285 71 HG3 LYS 8 3HG LYS 8 9.435 9.838 4.119 72 HD2 LYS 8 2HD LYS 8 8.549 11.738 4.960 73 HD3 LYS 8 3HD LYS 8 7.616 12.071 3.499 74 HE2 LYS 8 2HE LYS 8 6.105 10.160 4.208 75 HE3 LYS 8 3HE LYS 8 6.934 10.211 5.763 76 HZ1 LYS 8 1HZ LYS 8 5.772 11.985 6.375 77 HZ2 LYS 8 2HZ LYS 8 4.772 11.710 5.040 78 HZ3 LYS 8 3HZ LYS 8 6.063 12.797 4.920 79 H ILE 9 H ILE 9 11.322 9.766 4.417 80 HA ILE 9 HA ILE 9 12.012 12.355 5.405 81 HB ILE 9 HB ILE 9 12.356 11.364 7.480 82 HG12 ILE 9 2HG1 ILE 9 12.589 8.693 7.441 83 HG13 ILE 9 3HG1 ILE 9 13.306 9.049 5.873 84 HG21 ILE 9 1HG2 ILE 9 10.349 10.408 7.828 85 HG22 ILE 9 2HG2 ILE 9 10.091 10.782 6.125 86 HG23 ILE 9 3HG2 ILE 9 10.611 9.167 6.603 87 HD11 ILE 9 1HD1 ILE 9 15.184 9.193 7.095 88 HD12 ILE 9 2HD1 ILE 9 14.610 10.834 7.392 89 HD13 ILE 9 3HD1 ILE 9 14.318 9.568 8.584 90 H THR 10 H THR 10 13.760 9.729 3.957 91 HA THR 10 HA THR 10 16.351 10.706 4.803 92 HB THR 10 HB THR 10 17.210 8.913 3.233 93 HG1 THR 10 HG1 THR 10 15.791 8.029 1.949 94 HG21 THR 10 1HG2 THR 10 16.570 7.067 4.722 95 HG22 THR 10 2HG2 THR 10 15.289 8.068 5.407 96 HG23 THR 10 3HG2 THR 10 16.978 8.521 5.632 97 H LYS 11 H LYS 11 17.416 12.275 3.809 98 HA LYS 11 HA LYS 11 16.852 12.776 0.959 99 HB2 LYS 11 2HB LYS 11 17.549 15.170 1.507 100 HB3 LYS 11 3HB LYS 11 15.979 14.643 2.098 101 HG2 LYS 11 2HG LYS 11 18.333 14.359 3.890 102 HG3 LYS 11 3HG LYS 11 17.649 15.966 3.633 103 HD2 LYS 11 2HD LYS 11 15.386 14.797 4.151 104 HD3 LYS 11 3HD LYS 11 16.398 13.548 4.878 105 HE2 LYS 11 2HE LYS 11 17.287 16.134 5.733 106 HE3 LYS 11 3HE LYS 11 15.554 15.981 6.018 107 HZ1 LYS 11 1HZ LYS 11 15.852 14.301 7.505 108 HZ2 LYS 11 2HZ LYS 11 17.294 15.145 7.766 109 HZ3 LYS 11 3HZ LYS 11 17.290 13.755 6.801 110 H LYS 12 H LYS 12 18.986 11.235 2.586 111 HA LYS 12 HA LYS 12 21.366 12.569 1.490 112 HB2 LYS 12 2HB LYS 12 21.824 10.230 3.186 113 HB3 LYS 12 3HB LYS 12 22.528 11.840 3.274 114 HG2 LYS 12 2HG LYS 12 20.301 12.568 4.286 115 HG3 LYS 12 3HG LYS 12 19.974 10.846 4.489 116 HD2 LYS 12 2HD LYS 12 20.925 11.405 6.523 117 HD3 LYS 12 3HD LYS 12 22.315 10.802 5.619 118 HE2 LYS 12 2HE LYS 12 22.592 13.303 4.931 119 HE3 LYS 12 3HE LYS 12 21.597 13.609 6.354 120 HZ1 LYS 12 1HZ LYS 12 23.334 13.269 7.664 121 HZ2 LYS 12 2HZ LYS 12 24.318 13.184 6.291 122 HZ3 LYS 12 3HZ LYS 12 23.670 11.770 6.955 123 H ASN 13 H ASN 13 20.511 9.169 2.135 124 HA ASN 13 HA ASN 13 22.069 8.146 0.031 125 HB2 ASN 13 2HB ASN 13 20.323 7.108 2.068 126 HB3 ASN 13 3HB ASN 13 19.980 6.311 0.535 127 HD21 ASN 13 1HD2 ASN 13 22.078 6.535 3.183 128 HD22 ASN 13 2HD2 ASN 13 23.282 5.426 2.631 129 H MET 14 H MET 14 18.994 9.634 0.041 130 HA MET 14 HA MET 14 17.742 8.399 -2.132 131 HB2 MET 14 2HB MET 14 16.723 10.068 -0.540 132 HB3 MET 14 3HB MET 14 17.558 11.331 -1.435 133 HG2 MET 14 2HG MET 14 15.807 11.443 -2.776 134 HG3 MET 14 3HG MET 14 16.223 9.836 -3.367 135 HE1 MET 14 1HE MET 14 14.635 8.277 -3.652 136 HE2 MET 14 2HE MET 14 13.078 8.100 -2.842 137 HE3 MET 14 3HE MET 14 13.363 9.471 -3.915 138 H ALA 15 H ALA 15 19.763 11.336 -2.086 139 HA ALA 15 HA ALA 15 19.830 11.519 -4.945 140 HB1 ALA 15 1HB ALA 15 20.781 13.091 -2.684 141 HB2 ALA 15 2HB ALA 15 21.897 13.089 -4.050 142 HB3 ALA 15 3HB ALA 15 20.228 13.612 -4.275 143 H HIS 16 H HIS 16 21.233 9.368 -2.933 144 HA HIS 16 HA HIS 16 23.739 9.200 -4.458 145 HB2 HIS 16 2HB HIS 16 23.071 8.757 -1.697 146 HB3 HIS 16 3HB HIS 16 23.734 7.279 -2.387 147 HD1 HIS 16 HD1 HIS 16 26.136 7.636 -3.641 148 HD2 HIS 16 HD2 HIS 16 24.947 10.570 -0.950 149 HE1 HIS 16 HE1 HIS 16 28.228 8.906 -3.063 150 H ILE 17 H ILE 17 20.682 7.745 -4.071 151 HA ILE 17 HA ILE 17 21.119 5.072 -4.612 152 HB ILE 17 HB ILE 17 18.880 4.956 -5.478 153 HG12 ILE 17 2HG1 ILE 17 19.242 7.909 -5.906 154 HG13 ILE 17 3HG1 ILE 17 18.707 6.685 -7.053 155 HG21 ILE 17 1HG2 ILE 17 17.708 5.726 -3.617 156 HG22 ILE 17 2HG2 ILE 17 19.356 5.535 -3.021 157 HG23 ILE 17 3HG2 ILE 17 18.746 7.138 -3.429 158 HD11 ILE 17 1HD1 ILE 17 16.838 8.035 -6.482 159 HD12 ILE 17 2HD1 ILE 17 16.617 6.462 -5.714 160 HD13 ILE 17 3HD1 ILE 17 17.153 7.843 -4.758 161 H ARG 18 H ARG 18 20.987 7.796 -6.858 162 HA ARG 18 HA ARG 18 21.528 8.000 -9.059 163 HB2 ARG 18 2HB ARG 18 23.647 6.867 -7.866 164 HB3 ARG 18 3HB ARG 18 23.253 5.584 -9.002 165 HG2 ARG 18 2HG ARG 18 23.305 7.334 -10.815 166 HG3 ARG 18 3HG ARG 18 23.990 8.430 -9.614 167 HD2 ARG 18 2HD ARG 18 25.266 5.775 -9.871 168 HD3 ARG 18 3HD ARG 18 25.481 6.887 -11.222 169 HE ARG 18 HE ARG 18 26.682 7.072 -8.634 170 HH11 ARG 18 1HH1 ARG 18 25.560 8.917 -11.364 171 HH12 ARG 18 2HH1 ARG 18 26.621 10.254 -11.062 172 HH21 ARG 18 1HH2 ARG 18 28.083 8.825 -8.226 173 HH22 ARG 18 2HH2 ARG 18 28.056 10.200 -9.277 Start of MODEL 8 1 H1 PHE 1 H PHE 1 1.536 -1.625 -0.322 2 HA PHE 1 HA PHE 1 1.160 0.655 -1.380 3 HB2 PHE 1 2HB PHE 1 -0.010 -0.424 0.818 4 HB3 PHE 1 3HB PHE 1 0.652 1.056 1.503 5 HD1 PHE 1 HD1 PHE 1 -1.959 -0.392 -0.472 6 HD2 PHE 1 HD2 PHE 1 0.030 3.258 0.442 7 HE1 PHE 1 HE1 PHE 1 -3.871 0.870 -1.369 8 HE2 PHE 1 HE2 PHE 1 -1.879 4.526 -0.451 9 HZ PHE 1 HZ PHE 1 -3.833 3.333 -1.358 10 H LEU 2 H LEU 2 3.485 0.317 1.207 11 HA LEU 2 HA LEU 2 4.409 3.061 0.664 12 HB2 LEU 2 2HB LEU 2 4.549 1.597 3.295 13 HB3 LEU 2 3HB LEU 2 5.133 3.229 2.978 14 HG LEU 2 HG LEU 2 2.278 2.800 2.414 15 HD11 LEU 2 1HD1 LEU 2 1.758 1.799 4.327 16 HD12 LEU 2 2HD1 LEU 2 2.285 3.266 5.152 17 HD13 LEU 2 3HD1 LEU 2 3.413 1.930 4.923 18 HD21 LEU 2 1HD2 LEU 2 3.017 5.002 2.245 19 HD22 LEU 2 2HD2 LEU 2 4.011 4.883 3.697 20 HD23 LEU 2 3HD2 LEU 2 2.253 4.943 3.834 21 HA PRO 3 HA PRO 3 7.762 -0.040 -0.274 22 HB2 PRO 3 2HB PRO 3 8.368 0.983 -2.714 23 HB3 PRO 3 3HB PRO 3 7.113 -0.238 -2.469 24 HG2 PRO 3 2HG PRO 3 6.836 2.726 -2.790 25 HG3 PRO 3 3HG PRO 3 5.863 1.427 -3.505 26 HD2 PRO 3 2HD PRO 3 5.048 2.839 -1.342 27 HD3 PRO 3 3HD PRO 3 4.620 1.133 -1.586 28 H LYS 4 H LYS 4 7.436 3.385 -0.134 29 HA LYS 4 HA LYS 4 10.354 3.661 0.180 30 HB2 LYS 4 2HB LYS 4 9.546 6.206 -0.284 31 HB3 LYS 4 3HB LYS 4 10.118 5.112 -1.536 32 HG2 LYS 4 2HG LYS 4 8.008 4.734 -2.364 33 HG3 LYS 4 3HG LYS 4 7.220 5.141 -0.837 34 HD2 LYS 4 2HD LYS 4 6.825 6.873 -2.505 35 HD3 LYS 4 3HD LYS 4 7.799 7.499 -1.173 36 HE2 LYS 4 2HE LYS 4 9.505 7.973 -2.529 37 HE3 LYS 4 3HE LYS 4 9.442 6.379 -3.281 38 HZ1 LYS 4 1HZ LYS 4 7.242 7.894 -4.154 39 HZ2 LYS 4 2HZ LYS 4 8.526 7.277 -5.066 40 HZ3 LYS 4 3HZ LYS 4 8.646 8.814 -4.370 41 H LEU 5 H LEU 5 8.572 2.881 2.266 42 HA LEU 5 HA LEU 5 7.548 4.763 3.933 43 HB2 LEU 5 2HB LEU 5 8.586 2.107 4.206 44 HB3 LEU 5 3HB LEU 5 9.042 3.066 5.612 45 HG LEU 5 HG LEU 5 6.210 2.764 4.624 46 HD11 LEU 5 1HD1 LEU 5 6.186 1.393 6.887 47 HD12 LEU 5 2HD1 LEU 5 7.863 1.094 6.435 48 HD13 LEU 5 3HD1 LEU 5 6.560 0.633 5.340 49 HD21 LEU 5 1HD2 LEU 5 7.457 3.972 7.080 50 HD22 LEU 5 2HD2 LEU 5 5.751 3.534 6.990 51 HD23 LEU 5 3HD2 LEU 5 6.410 4.747 5.891 52 H PHE 6 H PHE 6 10.958 4.013 3.458 53 HA PHE 6 HA PHE 6 11.627 6.392 5.063 54 HB2 PHE 6 2HB PHE 6 12.331 3.900 5.784 55 HB3 PHE 6 3HB PHE 6 13.683 4.279 4.722 56 HD1 PHE 6 HD1 PHE 6 15.493 5.463 5.538 57 HD2 PHE 6 HD2 PHE 6 11.785 5.628 7.621 58 HE1 PHE 6 HE1 PHE 6 16.577 6.711 7.361 59 HE2 PHE 6 HE2 PHE 6 12.862 6.877 9.447 60 HZ PHE 6 HZ PHE 6 15.261 7.421 9.318 61 H ALA 7 H ALA 7 11.651 4.986 2.033 62 HA ALA 7 HA ALA 7 14.104 6.020 1.012 63 HB1 ALA 7 1HB ALA 7 11.950 5.613 -0.928 64 HB2 ALA 7 2HB ALA 7 13.569 4.914 -0.862 65 HB3 ALA 7 3HB ALA 7 12.268 4.221 0.107 66 H LYS 8 H LYS 8 10.896 7.293 1.439 67 HA LYS 8 HA LYS 8 11.407 9.594 -0.263 68 HB2 LYS 8 2HB LYS 8 9.117 10.279 0.388 69 HB3 LYS 8 3HB LYS 8 9.173 8.664 -0.307 70 HG2 LYS 8 2HG LYS 8 8.238 7.797 1.501 71 HG3 LYS 8 3HG LYS 8 9.474 8.511 2.539 72 HD2 LYS 8 2HD LYS 8 7.471 9.424 3.327 73 HD3 LYS 8 3HD LYS 8 8.143 10.690 2.296 74 HE2 LYS 8 2HE LYS 8 6.257 8.683 1.140 75 HE3 LYS 8 3HE LYS 8 5.624 10.021 2.097 76 HZ1 LYS 8 1HZ LYS 8 7.261 11.328 0.472 77 HZ2 LYS 8 2HZ LYS 8 5.636 11.039 0.104 78 HZ3 LYS 8 3HZ LYS 8 6.840 10.042 -0.543 79 H ILE 9 H ILE 9 11.275 8.765 3.137 80 HA ILE 9 HA ILE 9 11.352 11.456 4.094 81 HB ILE 9 HB ILE 9 11.499 10.584 6.243 82 HG12 ILE 9 2HG1 ILE 9 12.180 7.993 6.377 83 HG13 ILE 9 3HG1 ILE 9 13.082 8.435 4.931 84 HG21 ILE 9 1HG2 ILE 9 10.322 8.098 5.202 85 HG22 ILE 9 2HG2 ILE 9 9.655 9.295 6.311 86 HG23 ILE 9 3HG2 ILE 9 9.623 9.590 4.573 87 HD11 ILE 9 1HD1 ILE 9 14.680 8.955 6.411 88 HD12 ILE 9 2HD1 ILE 9 13.768 10.456 6.578 89 HD13 ILE 9 3HD1 ILE 9 13.536 9.149 7.739 90 H THR 10 H THR 10 13.724 9.137 3.074 91 HA THR 10 HA THR 10 15.942 10.554 4.280 92 HB THR 10 HB THR 10 17.331 8.906 2.944 93 HG1 THR 10 HG1 THR 10 15.895 7.030 2.304 94 HG21 THR 10 1HG2 THR 10 15.252 7.790 4.830 95 HG22 THR 10 2HG2 THR 10 16.787 8.525 5.293 96 HG23 THR 10 3HG2 THR 10 16.770 7.006 4.397 97 H LYS 11 H LYS 11 16.871 12.272 3.403 98 HA LYS 11 HA LYS 11 16.738 12.610 0.478 99 HB2 LYS 11 2HB LYS 11 16.761 15.061 0.893 100 HB3 LYS 11 3HB LYS 11 15.324 14.264 1.519 101 HG2 LYS 11 2HG LYS 11 15.747 15.424 3.379 102 HG3 LYS 11 3HG LYS 11 16.967 14.185 3.684 103 HD2 LYS 11 2HD LYS 11 18.707 15.546 2.916 104 HD3 LYS 11 3HD LYS 11 17.604 16.633 2.069 105 HE2 LYS 11 2HE LYS 11 16.773 16.771 4.702 106 HE3 LYS 11 3HE LYS 11 18.530 16.685 4.825 107 HZ1 LYS 11 1HZ LYS 11 18.601 18.525 3.163 108 HZ2 LYS 11 2HZ LYS 11 17.939 18.956 4.658 109 HZ3 LYS 11 3HZ LYS 11 16.925 18.682 3.332 110 H LYS 12 H LYS 12 18.793 11.445 2.398 111 HA LYS 12 HA LYS 12 21.059 13.120 1.532 112 HB2 LYS 12 2HB LYS 12 22.131 11.730 3.579 113 HB3 LYS 12 3HB LYS 12 21.388 13.313 3.766 114 HG2 LYS 12 2HG LYS 12 19.671 10.897 4.009 115 HG3 LYS 12 3HG LYS 12 20.753 11.314 5.340 116 HD2 LYS 12 2HD LYS 12 19.241 13.586 4.283 117 HD3 LYS 12 3HD LYS 12 18.230 12.314 4.974 118 HE2 LYS 12 2HE LYS 12 20.605 13.053 6.552 119 HE3 LYS 12 3HE LYS 12 19.371 14.303 6.409 120 HZ1 LYS 12 1HZ LYS 12 18.988 12.926 8.346 121 HZ2 LYS 12 2HZ LYS 12 18.931 11.533 7.387 122 HZ3 LYS 12 3HZ LYS 12 17.733 12.717 7.230 123 H ASN 13 H ASN 13 20.899 9.861 2.927 124 HA ASN 13 HA ASN 13 22.895 8.741 1.390 125 HB2 ASN 13 2HB ASN 13 20.818 7.779 3.161 126 HB3 ASN 13 3HB ASN 13 21.070 6.658 1.827 127 HD21 ASN 13 1HD2 ASN 13 21.708 6.533 4.734 128 HD22 ASN 13 2HD2 ASN 13 23.388 6.133 4.801 129 H MET 14 H MET 14 19.578 9.362 0.555 130 HA MET 14 HA MET 14 19.274 7.615 -1.609 131 HB2 MET 14 2HB MET 14 17.473 8.998 -0.515 132 HB3 MET 14 3HB MET 14 18.089 10.385 -1.402 133 HG2 MET 14 2HG MET 14 16.736 9.833 -3.058 134 HG3 MET 14 3HG MET 14 17.736 8.406 -3.324 135 HE1 MET 14 1HE MET 14 17.319 6.404 -1.161 136 HE2 MET 14 2HE MET 14 15.842 5.558 -1.621 137 HE3 MET 14 3HE MET 14 17.024 6.003 -2.853 138 H ALA 15 H ALA 15 20.288 11.034 -1.607 139 HA ALA 15 HA ALA 15 20.955 10.996 -4.394 140 HB1 ALA 15 1HB ALA 15 21.897 13.066 -2.437 141 HB2 ALA 15 2HB ALA 15 21.527 13.250 -4.152 142 HB3 ALA 15 3HB ALA 15 20.223 13.008 -2.990 143 H HIS 16 H HIS 16 22.418 9.565 -1.853 144 HA HIS 16 HA HIS 16 25.146 10.072 -2.820 145 HB2 HIS 16 2HB HIS 16 24.018 9.664 -0.207 146 HB3 HIS 16 3HB HIS 16 25.221 8.418 -0.531 147 HD1 HIS 16 HD1 HIS 16 24.984 11.642 0.890 148 HD2 HIS 16 HD2 HIS 16 27.731 9.785 -1.614 149 HE1 HIS 16 HE1 HIS 16 27.103 12.979 1.107 150 H ILE 17 H ILE 17 22.637 7.766 -2.827 151 HA ILE 17 HA ILE 17 23.942 5.332 -2.876 152 HB ILE 17 HB ILE 17 22.094 4.449 -4.135 153 HG12 ILE 17 2HG1 ILE 17 21.676 7.322 -4.911 154 HG13 ILE 17 3HG1 ILE 17 21.796 5.906 -5.949 155 HG21 ILE 17 1HG2 ILE 17 21.803 5.339 -1.743 156 HG22 ILE 17 2HG2 ILE 17 20.871 6.635 -2.491 157 HG23 ILE 17 3HG2 ILE 17 20.352 4.960 -2.672 158 HD11 ILE 17 1HD1 ILE 17 19.488 6.695 -4.195 159 HD12 ILE 17 2HD1 ILE 17 19.537 6.637 -5.957 160 HD13 ILE 17 3HD1 ILE 17 19.611 5.143 -5.023 161 H ARG 18 H ARG 18 23.549 7.687 -5.478 162 HA ARG 18 HA ARG 18 24.649 6.081 -7.532 163 HB2 ARG 18 2HB ARG 18 24.311 9.061 -7.226 164 HB3 ARG 18 3HB ARG 18 25.016 8.337 -8.665 165 HG2 ARG 18 2HG ARG 18 23.016 7.308 -9.276 166 HG3 ARG 18 3HG ARG 18 22.325 7.489 -7.662 167 HD2 ARG 18 2HD ARG 18 21.348 9.364 -8.342 168 HD3 ARG 18 3HD ARG 18 22.947 10.081 -8.540 169 HE ARG 18 HE ARG 18 22.713 9.881 -10.806 170 HH11 ARG 18 1HH1 ARG 18 20.352 7.860 -9.238 171 HH12 ARG 18 2HH1 ARG 18 19.524 7.463 -10.708 172 HH21 ARG 18 1HH2 ARG 18 21.632 9.366 -12.748 173 HH22 ARG 18 2HH2 ARG 18 20.254 8.320 -12.703 Start of MODEL 9 1 H1 PHE 1 H PHE 1 -0.360 2.240 3.447 2 HA PHE 1 HA PHE 1 1.872 2.714 3.845 3 HB2 PHE 1 2HB PHE 1 2.469 -0.132 3.018 4 HB3 PHE 1 3HB PHE 1 3.576 0.995 3.794 5 HD1 PHE 1 HD1 PHE 1 1.929 -1.847 4.432 6 HD2 PHE 1 HD2 PHE 1 2.194 2.103 5.994 7 HE1 PHE 1 HE1 PHE 1 1.215 -2.675 6.637 8 HE2 PHE 1 HE2 PHE 1 1.482 1.282 8.201 9 HZ PHE 1 HZ PHE 1 0.992 -1.110 8.525 10 H LEU 2 H LEU 2 4.040 2.389 2.368 11 HA LEU 2 HA LEU 2 3.280 2.450 -0.454 12 HB2 LEU 2 2HB LEU 2 4.861 4.540 -0.558 13 HB3 LEU 2 3HB LEU 2 3.146 4.709 -0.193 14 HG LEU 2 HG LEU 2 5.052 4.452 2.079 15 HD11 LEU 2 1HD1 LEU 2 5.696 6.714 2.035 16 HD12 LEU 2 2HD1 LEU 2 4.578 7.092 0.726 17 HD13 LEU 2 3HD1 LEU 2 6.004 6.105 0.409 18 HD21 LEU 2 1HD2 LEU 2 2.338 5.472 1.544 19 HD22 LEU 2 2HD2 LEU 2 3.299 6.401 2.695 20 HD23 LEU 2 3HD2 LEU 2 2.996 4.686 2.979 21 HA PRO 3 HA PRO 3 7.127 0.462 -1.159 22 HB2 PRO 3 2HB PRO 3 7.891 1.511 -3.544 23 HB3 PRO 3 3HB PRO 3 6.557 0.362 -3.383 24 HG2 PRO 3 2HG PRO 3 6.469 3.344 -3.629 25 HG3 PRO 3 3HG PRO 3 5.450 2.126 -4.418 26 HD2 PRO 3 2HD PRO 3 4.633 3.526 -2.249 27 HD3 PRO 3 3HD PRO 3 4.115 1.857 -2.558 28 H LYS 4 H LYS 4 6.996 3.891 -0.915 29 HA LYS 4 HA LYS 4 9.912 3.986 -0.494 30 HB2 LYS 4 2HB LYS 4 9.268 6.587 -0.894 31 HB3 LYS 4 3HB LYS 4 9.819 5.504 -2.166 32 HG2 LYS 4 2HG LYS 4 7.722 5.280 -3.075 33 HG3 LYS 4 3HG LYS 4 6.906 5.679 -1.561 34 HD2 LYS 4 2HD LYS 4 6.669 7.488 -3.177 35 HD3 LYS 4 3HD LYS 4 7.628 8.009 -1.790 36 HE2 LYS 4 2HE LYS 4 9.331 8.530 -3.119 37 HE3 LYS 4 3HE LYS 4 9.358 6.895 -3.777 38 HZ1 LYS 4 1HZ LYS 4 8.683 7.768 -5.682 39 HZ2 LYS 4 2HZ LYS 4 8.442 9.291 -4.985 40 HZ3 LYS 4 3HZ LYS 4 7.201 8.141 -4.955 41 H LEU 5 H LEU 5 8.014 3.242 1.501 42 HA LEU 5 HA LEU 5 7.041 5.124 3.199 43 HB2 LEU 5 2HB LEU 5 7.943 2.404 3.422 44 HB3 LEU 5 3HB LEU 5 8.352 3.302 4.882 45 HG LEU 5 HG LEU 5 5.583 3.052 3.708 46 HD11 LEU 5 1HD1 LEU 5 6.681 0.975 4.729 47 HD12 LEU 5 2HD1 LEU 5 5.099 1.458 5.340 48 HD13 LEU 5 3HD1 LEU 5 6.552 1.828 6.268 49 HD21 LEU 5 1HD2 LEU 5 6.757 4.707 5.826 50 HD22 LEU 5 2HD2 LEU 5 5.302 3.829 6.298 51 HD23 LEU 5 3HD2 LEU 5 5.264 4.920 4.911 52 H PHE 6 H PHE 6 10.417 4.191 2.813 53 HA PHE 6 HA PHE 6 11.164 6.471 4.523 54 HB2 PHE 6 2HB PHE 6 11.698 3.919 5.178 55 HB3 PHE 6 3HB PHE 6 13.106 4.254 4.175 56 HD1 PHE 6 HD1 PHE 6 14.951 5.300 5.093 57 HD2 PHE 6 HD2 PHE 6 11.187 5.614 7.056 58 HE1 PHE 6 HE1 PHE 6 16.040 6.420 6.995 59 HE2 PHE 6 HE2 PHE 6 12.270 6.735 8.960 60 HZ PHE 6 HZ PHE 6 14.699 7.140 8.931 61 H ALA 7 H ALA 7 11.214 5.170 1.447 62 HA ALA 7 HA ALA 7 13.758 6.094 0.547 63 HB1 ALA 7 1HB ALA 7 13.228 5.086 -1.383 64 HB2 ALA 7 2HB ALA 7 11.857 4.435 -0.484 65 HB3 ALA 7 3HB ALA 7 11.654 5.878 -1.477 66 H LYS 8 H LYS 8 10.614 7.536 0.911 67 HA LYS 8 HA LYS 8 11.316 9.860 -0.689 68 HB2 LYS 8 2HB LYS 8 9.048 10.655 -0.090 69 HB3 LYS 8 3HB LYS 8 9.035 9.064 -0.840 70 HG2 LYS 8 2HG LYS 8 7.991 8.191 0.904 71 HG3 LYS 8 3HG LYS 8 9.227 8.799 2.008 72 HD2 LYS 8 2HD LYS 8 7.248 9.797 2.756 73 HD3 LYS 8 3HD LYS 8 8.030 11.057 1.800 74 HE2 LYS 8 2HE LYS 8 6.514 10.871 0.073 75 HE3 LYS 8 3HE LYS 8 6.092 9.209 0.482 76 HZ1 LYS 8 1HZ LYS 8 5.119 11.716 1.661 77 HZ2 LYS 8 2HZ LYS 8 5.162 10.325 2.622 78 HZ3 LYS 8 3HZ LYS 8 4.252 10.340 1.196 79 H ILE 9 H ILE 9 11.018 8.925 2.672 80 HA ILE 9 HA ILE 9 11.215 11.572 3.728 81 HB ILE 9 HB ILE 9 11.237 10.621 5.848 82 HG12 ILE 9 2HG1 ILE 9 11.763 7.992 5.911 83 HG13 ILE 9 3HG1 ILE 9 12.739 8.429 4.513 84 HG21 ILE 9 1HG2 ILE 9 9.319 9.442 5.808 85 HG22 ILE 9 2HG2 ILE 9 9.367 9.796 4.082 86 HG23 ILE 9 3HG2 ILE 9 9.956 8.245 4.680 87 HD11 ILE 9 1HD1 ILE 9 13.403 10.358 6.343 88 HD12 ILE 9 2HD1 ILE 9 13.197 8.917 7.338 89 HD13 ILE 9 3HD1 ILE 9 14.331 8.902 5.988 90 H THR 10 H THR 10 13.485 9.156 2.703 91 HA THR 10 HA THR 10 15.737 10.403 4.031 92 HB THR 10 HB THR 10 17.076 8.718 2.691 93 HG1 THR 10 HG1 THR 10 15.472 6.944 1.996 94 HG21 THR 10 1HG2 THR 10 14.869 7.662 4.464 95 HG22 THR 10 2HG2 THR 10 16.420 8.300 5.008 96 HG23 THR 10 3HG2 THR 10 16.360 6.813 4.063 97 H LYS 11 H LYS 11 16.788 12.092 3.241 98 HA LYS 11 HA LYS 11 16.782 12.522 0.325 99 HB2 LYS 11 2HB LYS 11 17.015 14.979 0.909 100 HB3 LYS 11 3HB LYS 11 15.448 14.252 1.238 101 HG2 LYS 11 2HG LYS 11 17.467 14.325 3.420 102 HG3 LYS 11 3HG LYS 11 16.625 15.815 2.987 103 HD2 LYS 11 2HD LYS 11 14.499 14.281 3.134 104 HD3 LYS 11 3HD LYS 11 15.546 13.286 4.149 105 HE2 LYS 11 2HE LYS 11 15.509 14.763 5.846 106 HE3 LYS 11 3HE LYS 11 15.598 16.155 4.768 107 HZ1 LYS 11 1HZ LYS 11 13.163 14.567 5.374 108 HZ2 LYS 11 2HZ LYS 11 13.233 15.858 4.284 109 HZ3 LYS 11 3HZ LYS 11 13.502 16.128 5.932 110 H LYS 12 H LYS 12 18.694 11.227 2.347 111 HA LYS 12 HA LYS 12 21.081 12.768 1.562 112 HB2 LYS 12 2HB LYS 12 21.993 11.339 3.658 113 HB3 LYS 12 3HB LYS 12 21.332 12.962 3.806 114 HG2 LYS 12 2HG LYS 12 19.476 10.646 3.995 115 HG3 LYS 12 3HG LYS 12 20.526 11.014 5.365 116 HD2 LYS 12 2HD LYS 12 19.221 13.376 4.266 117 HD3 LYS 12 3HD LYS 12 18.075 12.164 4.844 118 HE2 LYS 12 2HE LYS 12 18.455 13.399 6.753 119 HE3 LYS 12 3HE LYS 12 19.627 12.095 6.934 120 HZ1 LYS 12 1HZ LYS 12 20.086 14.875 6.767 121 HZ2 LYS 12 2HZ LYS 12 20.884 14.099 5.494 122 HZ3 LYS 12 3HZ LYS 12 21.190 13.635 7.092 123 H ASN 13 H ASN 13 20.683 9.533 2.967 124 HA ASN 13 HA ASN 13 22.676 8.290 1.529 125 HB2 ASN 13 2HB ASN 13 20.563 7.484 3.274 126 HB3 ASN 13 3HB ASN 13 20.597 6.381 1.901 127 HD21 ASN 13 1HD2 ASN 13 22.024 7.253 4.834 128 HD22 ASN 13 2HD2 ASN 13 23.371 6.172 4.783 129 H MET 14 H MET 14 19.435 9.080 0.537 130 HA MET 14 HA MET 14 19.157 7.351 -1.646 131 HB2 MET 14 2HB MET 14 17.367 8.806 -0.631 132 HB3 MET 14 3HB MET 14 18.084 10.169 -1.481 133 HG2 MET 14 2HG MET 14 16.784 9.680 -3.200 134 HG3 MET 14 3HG MET 14 17.738 8.217 -3.430 135 HE1 MET 14 1HE MET 14 17.104 5.997 -1.655 136 HE2 MET 14 2HE MET 14 15.579 5.380 -2.293 137 HE3 MET 14 3HE MET 14 16.826 5.961 -3.397 138 H ALA 15 H ALA 15 20.314 10.723 -1.580 139 HA ALA 15 HA ALA 15 21.110 10.666 -4.332 140 HB1 ALA 15 1HB ALA 15 22.410 12.817 -3.265 141 HB2 ALA 15 2HB ALA 15 20.763 12.834 -3.895 142 HB3 ALA 15 3HB ALA 15 21.044 12.630 -2.166 143 H HIS 16 H HIS 16 22.390 9.164 -1.733 144 HA HIS 16 HA HIS 16 25.179 9.556 -2.568 145 HB2 HIS 16 2HB HIS 16 23.912 9.184 -0.014 146 HB3 HIS 16 3HB HIS 16 25.075 7.890 -0.289 147 HD1 HIS 16 HD1 HIS 16 27.519 8.949 -1.227 148 HD2 HIS 16 HD2 HIS 16 25.066 11.330 1.134 149 HE1 HIS 16 HE1 HIS 16 29.016 10.744 -0.300 150 H ILE 17 H ILE 17 22.577 7.360 -2.708 151 HA ILE 17 HA ILE 17 23.776 4.872 -2.711 152 HB ILE 17 HB ILE 17 21.953 4.076 -4.061 153 HG12 ILE 17 2HG1 ILE 17 21.695 6.968 -4.837 154 HG13 ILE 17 3HG1 ILE 17 21.802 5.551 -5.877 155 HG21 ILE 17 1HG2 ILE 17 20.168 4.655 -2.678 156 HG22 ILE 17 2HG2 ILE 17 21.588 4.964 -1.680 157 HG23 ILE 17 3HG2 ILE 17 20.750 6.305 -2.460 158 HD11 ILE 17 1HD1 ILE 17 19.545 4.882 -5.063 159 HD12 ILE 17 2HD1 ILE 17 19.452 6.433 -4.227 160 HD13 ILE 17 3HD1 ILE 17 19.581 6.385 -5.985 161 H ARG 18 H ARG 18 23.606 7.254 -5.313 162 HA ARG 18 HA ARG 18 24.889 5.539 -7.229 163 HB2 ARG 18 2HB ARG 18 23.266 7.446 -7.736 164 HB3 ARG 18 3HB ARG 18 24.613 8.533 -7.424 165 HG2 ARG 18 2HG ARG 18 25.758 7.876 -9.309 166 HG3 ARG 18 3HG ARG 18 24.939 6.315 -9.390 167 HD2 ARG 18 2HD ARG 18 24.067 7.603 -11.167 168 HD3 ARG 18 3HD ARG 18 22.826 7.595 -9.915 169 HE ARG 18 HE ARG 18 24.485 9.855 -9.609 170 HH11 ARG 18 1HH1 ARG 18 21.992 8.571 -11.672 171 HH12 ARG 18 2HH1 ARG 18 21.403 10.129 -12.149 172 HH21 ARG 18 1HH2 ARG 18 23.718 11.912 -10.229 173 HH22 ARG 18 2HH2 ARG 18 22.385 12.028 -11.328 Start of MODEL 10 1 H1 PHE 1 H PHE 1 1.178 -0.816 -4.345 2 HA PHE 1 HA PHE 1 1.260 0.483 -2.475 3 HB2 PHE 1 2HB PHE 1 2.643 -1.985 -1.493 4 HB3 PHE 1 3HB PHE 1 2.663 -0.531 -0.501 5 HD1 PHE 1 HD1 PHE 1 0.303 -2.746 -2.342 6 HD2 PHE 1 HD2 PHE 1 0.928 -0.142 0.966 7 HE1 PHE 1 HE1 PHE 1 -1.930 -3.312 -1.479 8 HE2 PHE 1 HE2 PHE 1 -1.304 -0.705 1.835 9 HZ PHE 1 HZ PHE 1 -2.736 -2.292 0.613 10 H LEU 2 H LEU 2 2.697 1.945 -1.332 11 HA LEU 2 HA LEU 2 5.412 2.052 -2.461 12 HB2 LEU 2 2HB LEU 2 3.310 4.170 -2.379 13 HB3 LEU 2 3HB LEU 2 5.009 4.629 -2.282 14 HG LEU 2 HG LEU 2 4.364 2.824 -4.505 15 HD11 LEU 2 1HD1 LEU 2 3.482 5.649 -4.861 16 HD12 LEU 2 2HD1 LEU 2 2.363 4.473 -4.172 17 HD13 LEU 2 3HD1 LEU 2 3.045 4.206 -5.777 18 HD21 LEU 2 1HD2 LEU 2 5.972 4.059 -5.615 19 HD22 LEU 2 2HD2 LEU 2 6.513 4.168 -3.940 20 HD23 LEU 2 3HD2 LEU 2 5.650 5.518 -4.677 21 HA PRO 3 HA PRO 3 5.459 2.336 2.184 22 HB2 PRO 3 2HB PRO 3 7.416 0.484 2.517 23 HB3 PRO 3 3HB PRO 3 5.703 0.062 2.413 24 HG2 PRO 3 2HG PRO 3 7.815 -0.055 0.295 25 HG3 PRO 3 3HG PRO 3 6.546 -1.234 0.676 26 HD2 PRO 3 2HD PRO 3 6.340 0.516 -1.381 27 HD3 PRO 3 3HD PRO 3 4.930 -0.049 -0.462 28 H LYS 4 H LYS 4 6.344 4.437 1.946 29 HA LYS 4 HA LYS 4 9.285 4.498 1.754 30 HB2 LYS 4 2HB LYS 4 8.588 7.071 1.266 31 HB3 LYS 4 3HB LYS 4 8.861 5.870 0.010 32 HG2 LYS 4 2HG LYS 4 6.620 5.618 -0.430 33 HG3 LYS 4 3HG LYS 4 6.134 6.165 1.176 34 HD2 LYS 4 2HD LYS 4 5.581 7.834 -0.511 35 HD3 LYS 4 3HD LYS 4 6.810 8.449 0.597 36 HE2 LYS 4 2HE LYS 4 8.359 8.610 -1.022 37 HE3 LYS 4 3HE LYS 4 7.885 7.080 -1.760 38 HZ1 LYS 4 1HZ LYS 4 5.944 9.182 -2.083 39 HZ2 LYS 4 2HZ LYS 4 6.580 8.112 -3.228 40 HZ3 LYS 4 3HZ LYS 4 7.430 9.517 -2.819 41 H LEU 5 H LEU 5 7.846 3.969 4.154 42 HA LEU 5 HA LEU 5 7.249 6.012 5.842 43 HB2 LEU 5 2HB LEU 5 8.444 4.544 7.627 44 HB3 LEU 5 3HB LEU 5 7.004 3.947 6.804 45 HG LEU 5 HG LEU 5 9.520 3.201 5.501 46 HD11 LEU 5 1HD1 LEU 5 10.484 2.940 7.595 47 HD12 LEU 5 2HD1 LEU 5 9.811 1.344 7.265 48 HD13 LEU 5 3HD1 LEU 5 8.964 2.451 8.346 49 HD21 LEU 5 1HD2 LEU 5 7.448 1.312 6.512 50 HD22 LEU 5 2HD2 LEU 5 8.376 1.273 5.012 51 HD23 LEU 5 3HD2 LEU 5 7.038 2.408 5.193 52 H PHE 6 H PHE 6 10.466 4.973 4.852 53 HA PHE 6 HA PHE 6 11.564 7.370 6.169 54 HB2 PHE 6 2HB PHE 6 12.208 4.871 6.919 55 HB3 PHE 6 3HB PHE 6 13.378 5.084 5.620 56 HD1 PHE 6 HD1 PHE 6 15.380 6.161 6.038 57 HD2 PHE 6 HD2 PHE 6 12.114 6.729 8.707 58 HE1 PHE 6 HE1 PHE 6 16.850 7.410 7.566 59 HE2 PHE 6 HE2 PHE 6 13.577 7.979 10.238 60 HZ PHE 6 HZ PHE 6 15.949 8.323 9.669 61 H ALA 7 H ALA 7 10.970 5.815 3.272 62 HA ALA 7 HA ALA 7 13.276 6.602 1.791 63 HB1 ALA 7 1HB ALA 7 12.354 5.447 0.109 64 HB2 ALA 7 2HB ALA 7 11.191 4.909 1.322 65 HB3 ALA 7 3HB ALA 7 10.801 6.268 0.267 66 H LYS 8 H LYS 8 10.281 8.139 2.665 67 HA LYS 8 HA LYS 8 10.649 10.305 0.762 68 HB2 LYS 8 2HB LYS 8 8.557 11.199 1.742 69 HB3 LYS 8 3HB LYS 8 8.382 9.551 1.154 70 HG2 LYS 8 2HG LYS 8 7.714 8.857 3.145 71 HG3 LYS 8 3HG LYS 8 9.159 9.520 3.912 72 HD2 LYS 8 2HD LYS 8 8.088 11.376 4.616 73 HD3 LYS 8 3HD LYS 8 7.128 11.504 3.140 74 HE2 LYS 8 2HE LYS 8 5.503 10.998 4.687 75 HE3 LYS 8 3HE LYS 8 5.921 9.391 4.094 76 HZ1 LYS 8 1HZ LYS 8 5.767 9.553 6.544 77 HZ2 LYS 8 2HZ LYS 8 7.086 10.612 6.535 78 HZ3 LYS 8 3HZ LYS 8 7.277 9.018 6.003 79 H ILE 9 H ILE 9 11.048 9.662 4.181 80 HA ILE 9 HA ILE 9 11.473 12.384 4.940 81 HB ILE 9 HB ILE 9 11.927 11.612 7.084 82 HG12 ILE 9 2HG1 ILE 9 12.446 8.987 7.265 83 HG13 ILE 9 3HG1 ILE 9 13.114 9.285 5.664 84 HG21 ILE 9 1HG2 ILE 9 10.040 10.473 7.542 85 HG22 ILE 9 2HG2 ILE 9 9.730 10.684 5.820 86 HG23 ILE 9 3HG2 ILE 9 10.424 9.175 6.412 87 HD11 ILE 9 1HD1 ILE 9 14.165 11.342 7.112 88 HD12 ILE 9 2HD1 ILE 9 14.129 10.030 8.291 89 HD13 ILE 9 3HD1 ILE 9 14.977 9.817 6.759 90 H THR 10 H THR 10 13.469 9.839 3.682 91 HA THR 10 HA THR 10 15.954 11.138 4.406 92 HB THR 10 HB THR 10 16.976 9.320 2.963 93 HG1 THR 10 HG1 THR 10 15.070 8.899 1.714 94 HG21 THR 10 1HG2 THR 10 16.552 7.549 4.611 95 HG22 THR 10 2HG2 THR 10 15.184 8.467 5.240 96 HG23 THR 10 3HG2 THR 10 16.819 9.108 5.391 97 H LYS 11 H LYS 11 16.829 12.733 3.277 98 HA LYS 11 HA LYS 11 16.220 12.926 0.399 99 HB2 LYS 11 2HB LYS 11 16.638 15.429 0.755 100 HB3 LYS 11 3HB LYS 11 15.122 14.769 1.354 101 HG2 LYS 11 2HG LYS 11 15.906 16.198 3.041 102 HG3 LYS 11 3HG LYS 11 16.256 14.563 3.606 103 HD2 LYS 11 2HD LYS 11 18.524 14.803 3.314 104 HD3 LYS 11 3HD LYS 11 18.340 16.028 2.056 105 HE2 LYS 11 2HE LYS 11 17.242 16.949 4.557 106 HE3 LYS 11 3HE LYS 11 18.917 16.439 4.762 107 HZ1 LYS 11 1HZ LYS 11 19.558 18.324 3.832 108 HZ2 LYS 11 2HZ LYS 11 17.951 18.802 3.612 109 HZ3 LYS 11 3HZ LYS 11 18.745 17.926 2.402 110 H LYS 12 H LYS 12 18.500 11.743 2.069 111 HA LYS 12 HA LYS 12 20.685 13.173 0.701 112 HB2 LYS 12 2HB LYS 12 21.988 11.839 2.658 113 HB3 LYS 12 3HB LYS 12 21.416 13.494 2.818 114 HG2 LYS 12 2HG LYS 12 19.643 12.897 4.161 115 HG3 LYS 12 3HG LYS 12 19.621 11.233 3.571 116 HD2 LYS 12 2HD LYS 12 21.892 10.974 4.693 117 HD3 LYS 12 3HD LYS 12 21.549 12.507 5.497 118 HE2 LYS 12 2HE LYS 12 20.199 11.518 6.966 119 HE3 LYS 12 3HE LYS 12 19.302 10.703 5.686 120 HZ1 LYS 12 1HZ LYS 12 21.184 9.065 5.627 121 HZ2 LYS 12 2HZ LYS 12 20.237 9.028 7.028 122 HZ3 LYS 12 3HZ LYS 12 21.758 9.768 7.055 123 H ASN 13 H ASN 13 20.565 10.042 2.367 124 HA ASN 13 HA ASN 13 22.199 8.669 0.624 125 HB2 ASN 13 2HB ASN 13 20.361 7.986 2.765 126 HB3 ASN 13 3HB ASN 13 20.366 6.753 1.507 127 HD21 ASN 13 1HD2 ASN 13 21.332 5.298 2.954 128 HD22 ASN 13 2HD2 ASN 13 23.013 5.395 3.339 129 H MET 14 H MET 14 18.829 9.467 0.292 130 HA MET 14 HA MET 14 18.073 7.606 -1.656 131 HB2 MET 14 2HB MET 14 16.557 9.171 -0.389 132 HB3 MET 14 3HB MET 14 17.090 10.455 -1.466 133 HG2 MET 14 2HG MET 14 15.450 9.888 -2.832 134 HG3 MET 14 3HG MET 14 16.315 8.387 -3.153 135 HE1 MET 14 1HE MET 14 16.266 6.466 -1.863 136 HE2 MET 14 2HE MET 14 15.442 6.313 -0.311 137 HE3 MET 14 3HE MET 14 14.685 5.689 -1.777 138 H ALA 15 H ALA 15 19.255 10.944 -2.074 139 HA ALA 15 HA ALA 15 19.445 10.684 -4.921 140 HB1 ALA 15 1HB ALA 15 19.997 12.905 -4.957 141 HB2 ALA 15 2HB ALA 15 19.145 12.817 -3.415 142 HB3 ALA 15 3HB ALA 15 20.908 12.817 -3.448 143 H HIS 16 H HIS 16 21.232 9.325 -2.554 144 HA HIS 16 HA HIS 16 23.783 9.588 -3.988 145 HB2 HIS 16 2HB HIS 16 23.087 9.422 -1.203 146 HB3 HIS 16 3HB HIS 16 24.149 8.082 -1.625 147 HD1 HIS 16 HD1 HIS 16 26.224 9.191 -3.360 148 HD2 HIS 16 HD2 HIS 16 24.609 11.428 -0.255 149 HE1 HIS 16 HE1 HIS 16 27.936 10.959 -2.845 150 H ILE 17 H ILE 17 21.187 7.456 -3.416 151 HA ILE 17 HA ILE 17 22.330 4.943 -3.497 152 HB ILE 17 HB ILE 17 20.253 4.106 -4.370 153 HG12 ILE 17 2HG1 ILE 17 19.868 6.945 -5.277 154 HG13 ILE 17 3HG1 ILE 17 19.735 5.461 -6.213 155 HG21 ILE 17 1HG2 ILE 17 20.415 5.162 -2.034 156 HG22 ILE 17 2HG2 ILE 17 19.444 6.468 -2.713 157 HG23 ILE 17 3HG2 ILE 17 18.811 4.823 -2.684 158 HD11 ILE 17 1HD1 ILE 17 17.800 6.511 -4.169 159 HD12 ILE 17 2HD1 ILE 17 17.551 6.338 -5.906 160 HD13 ILE 17 3HD1 ILE 17 17.698 4.905 -4.889 161 H ARG 18 H ARG 18 21.637 7.149 -6.166 162 HA ARG 18 HA ARG 18 22.275 7.165 -8.350 163 HB2 ARG 18 2HB ARG 18 24.508 5.937 -6.886 164 HB3 ARG 18 3HB ARG 18 24.475 5.554 -8.602 165 HG2 ARG 18 2HG ARG 18 24.092 8.180 -8.776 166 HG3 ARG 18 3HG ARG 18 24.958 8.134 -7.239 167 HD2 ARG 18 2HD ARG 18 26.880 7.891 -8.321 168 HD3 ARG 18 3HD ARG 18 26.287 6.401 -9.053 169 HE ARG 18 HE ARG 18 26.002 7.536 -11.011 170 HH11 ARG 18 1HH1 ARG 18 26.205 9.835 -8.406 171 HH12 ARG 18 2HH1 ARG 18 26.212 11.217 -9.452 172 HH21 ARG 18 1HH2 ARG 18 26.010 9.346 -12.399 173 HH22 ARG 18 2HH2 ARG 18 26.100 10.937 -11.723 Start of MODEL 11 1 H1 PHE 1 H PHE 1 6.551 0.175 -5.774 2 HA PHE 1 HA PHE 1 3.971 0.159 -5.125 3 HB2 PHE 1 2HB PHE 1 5.976 -1.813 -5.266 4 HB3 PHE 1 3HB PHE 1 5.125 -2.099 -3.752 5 HD1 PHE 1 HD1 PHE 1 5.034 -2.423 -7.317 6 HD2 PHE 1 HD2 PHE 1 2.620 -2.379 -3.812 7 HE1 PHE 1 HE1 PHE 1 3.224 -3.539 -8.554 8 HE2 PHE 1 HE2 PHE 1 0.806 -3.496 -5.043 9 HZ PHE 1 HZ PHE 1 1.107 -4.079 -7.417 10 H LEU 2 H LEU 2 6.589 0.220 -2.763 11 HA LEU 2 HA LEU 2 4.685 0.290 -0.556 12 HB2 LEU 2 2HB LEU 2 7.557 -0.244 -0.869 13 HB3 LEU 2 3HB LEU 2 7.123 0.648 0.588 14 HG LEU 2 HG LEU 2 5.418 -1.259 0.968 15 HD11 LEU 2 1HD1 LEU 2 6.152 -3.418 0.040 16 HD12 LEU 2 2HD1 LEU 2 7.317 -2.567 -0.974 17 HD13 LEU 2 3HD1 LEU 2 5.589 -2.303 -1.205 18 HD21 LEU 2 1HD2 LEU 2 7.117 -2.583 2.125 19 HD22 LEU 2 2HD2 LEU 2 7.370 -0.855 2.371 20 HD23 LEU 2 3HD2 LEU 2 8.385 -1.741 1.232 21 HA PRO 3 HA PRO 3 4.750 4.627 0.100 22 HB2 PRO 3 2HB PRO 3 4.851 4.811 2.807 23 HB3 PRO 3 3HB PRO 3 3.410 4.276 1.934 24 HG2 PRO 3 2HG PRO 3 5.504 2.642 3.314 25 HG3 PRO 3 3HG PRO 3 3.742 2.446 3.329 26 HD2 PRO 3 2HD PRO 3 5.363 0.936 1.772 27 HD3 PRO 3 3HD PRO 3 3.717 1.386 1.282 28 H LYS 4 H LYS 4 5.922 6.354 1.576 29 HA LYS 4 HA LYS 4 8.805 5.739 1.519 30 HB2 LYS 4 2HB LYS 4 8.712 8.457 1.326 31 HB3 LYS 4 3HB LYS 4 8.863 7.363 -0.042 32 HG2 LYS 4 2HG LYS 4 6.648 7.605 -0.651 33 HG3 LYS 4 3HG LYS 4 6.158 8.141 0.958 34 HD2 LYS 4 2HD LYS 4 6.129 9.994 -0.631 35 HD3 LYS 4 3HD LYS 4 7.351 10.251 0.617 36 HE2 LYS 4 2HE LYS 4 9.081 10.026 -0.840 37 HE3 LYS 4 3HE LYS 4 8.219 8.870 -1.854 38 HZ1 LYS 4 1HZ LYS 4 8.275 11.774 -1.986 39 HZ2 LYS 4 2HZ LYS 4 6.778 11.048 -2.293 40 HZ3 LYS 4 3HZ LYS 4 8.126 10.636 -3.229 41 H LEU 5 H LEU 5 7.212 5.261 3.785 42 HA LEU 5 HA LEU 5 6.923 7.178 5.689 43 HB2 LEU 5 2HB LEU 5 7.374 4.318 5.673 44 HB3 LEU 5 3HB LEU 5 8.077 5.079 7.099 45 HG LEU 5 HG LEU 5 5.266 5.757 6.409 46 HD11 LEU 5 1HD1 LEU 5 4.537 3.747 7.733 47 HD12 LEU 5 2HD1 LEU 5 6.164 3.105 7.509 48 HD13 LEU 5 3HD1 LEU 5 5.136 3.410 6.109 49 HD21 LEU 5 1HD2 LEU 5 6.711 6.649 8.353 50 HD22 LEU 5 2HD2 LEU 5 6.412 5.076 9.091 51 HD23 LEU 5 3HD2 LEU 5 5.059 6.134 8.691 52 H PHE 6 H PHE 6 9.936 5.613 4.721 53 HA PHE 6 HA PHE 6 11.396 7.626 6.303 54 HB2 PHE 6 2HB PHE 6 11.495 4.992 6.837 55 HB3 PHE 6 3HB PHE 6 12.765 5.083 5.620 56 HD1 PHE 6 HD1 PHE 6 14.905 5.726 6.223 57 HD2 PHE 6 HD2 PHE 6 11.646 6.648 8.800 58 HE1 PHE 6 HE1 PHE 6 16.486 6.524 7.931 59 HE2 PHE 6 HE2 PHE 6 13.222 7.449 10.512 60 HZ PHE 6 HZ PHE 6 15.645 7.388 10.078 61 H ALA 7 H ALA 7 10.700 6.450 3.249 62 HA ALA 7 HA ALA 7 13.191 6.873 1.943 63 HB1 ALA 7 1HB ALA 7 10.834 7.236 0.269 64 HB2 ALA 7 2HB ALA 7 12.143 6.059 0.148 65 HB3 ALA 7 3HB ALA 7 10.785 5.758 1.232 66 H LYS 8 H LYS 8 10.546 8.939 2.858 67 HA LYS 8 HA LYS 8 11.475 11.137 1.198 68 HB2 LYS 8 2HB LYS 8 9.561 12.362 2.102 69 HB3 LYS 8 3HB LYS 8 9.064 10.793 1.481 70 HG2 LYS 8 2HG LYS 8 9.483 10.127 4.035 71 HG3 LYS 8 3HG LYS 8 9.067 11.829 4.245 72 HD2 LYS 8 2HD LYS 8 7.409 9.793 2.756 73 HD3 LYS 8 3HD LYS 8 7.096 10.363 4.397 74 HE2 LYS 8 2HE LYS 8 6.982 12.694 3.423 75 HE3 LYS 8 3HE LYS 8 6.979 11.934 1.832 76 HZ1 LYS 8 1HZ LYS 8 4.770 12.486 3.202 77 HZ2 LYS 8 2HZ LYS 8 5.040 10.902 3.729 78 HZ3 LYS 8 3HZ LYS 8 4.873 11.227 2.077 79 H ILE 9 H ILE 9 11.368 10.220 4.602 80 HA ILE 9 HA ILE 9 12.354 12.662 5.634 81 HB ILE 9 HB ILE 9 12.552 11.600 7.700 82 HG12 ILE 9 2HG1 ILE 9 12.481 8.919 7.597 83 HG13 ILE 9 3HG1 ILE 9 13.280 9.230 6.060 84 HG21 ILE 9 1HG2 ILE 9 10.596 9.625 6.763 85 HG22 ILE 9 2HG2 ILE 9 10.438 10.896 7.974 86 HG23 ILE 9 3HG2 ILE 9 10.271 11.284 6.263 87 HD11 ILE 9 1HD1 ILE 9 14.736 10.817 7.650 88 HD12 ILE 9 2HD1 ILE 9 14.260 9.579 8.812 89 HD13 ILE 9 3HD1 ILE 9 15.121 9.124 7.343 90 H THR 10 H THR 10 13.884 9.901 4.191 91 HA THR 10 HA THR 10 16.530 10.606 5.132 92 HB THR 10 HB THR 10 17.261 8.766 3.553 93 HG1 THR 10 HG1 THR 10 15.494 7.403 2.842 94 HG21 THR 10 1HG2 THR 10 16.398 6.965 4.983 95 HG22 THR 10 2HG2 THR 10 15.196 8.072 5.647 96 HG23 THR 10 3HG2 THR 10 16.912 8.357 5.936 97 H LYS 11 H LYS 11 17.774 12.081 4.203 98 HA LYS 11 HA LYS 11 17.352 12.686 1.349 99 HB2 LYS 11 2HB LYS 11 18.262 14.990 1.968 100 HB3 LYS 11 3HB LYS 11 16.630 14.609 2.501 101 HG2 LYS 11 2HG LYS 11 18.888 14.062 4.355 102 HG3 LYS 11 3HG LYS 11 18.373 15.733 4.112 103 HD2 LYS 11 2HD LYS 11 15.990 14.782 4.538 104 HD3 LYS 11 3HD LYS 11 16.854 13.428 5.271 105 HE2 LYS 11 2HE LYS 11 17.999 15.848 6.230 106 HE3 LYS 11 3HE LYS 11 16.248 15.965 6.394 107 HZ1 LYS 11 1HZ LYS 11 16.308 13.783 7.525 108 HZ2 LYS 11 2HZ LYS 11 17.142 14.991 8.364 109 HZ3 LYS 11 3HZ LYS 11 17.999 13.829 7.482 110 H LYS 12 H LYS 12 19.273 10.914 3.005 111 HA LYS 12 HA LYS 12 21.806 12.028 2.016 112 HB2 LYS 12 2HB LYS 12 21.974 9.613 3.657 113 HB3 LYS 12 3HB LYS 12 22.830 11.141 3.814 114 HG2 LYS 12 2HG LYS 12 20.654 12.062 4.777 115 HG3 LYS 12 3HG LYS 12 20.151 10.376 4.920 116 HD2 LYS 12 2HD LYS 12 21.084 10.786 6.998 117 HD3 LYS 12 3HD LYS 12 22.437 10.069 6.119 118 HE2 LYS 12 2HE LYS 12 23.040 12.507 5.522 119 HE3 LYS 12 3HE LYS 12 21.963 12.938 6.849 120 HZ1 LYS 12 1HZ LYS 12 24.438 11.314 6.986 121 HZ2 LYS 12 2HZ LYS 12 23.329 11.411 8.260 122 HZ3 LYS 12 3HZ LYS 12 24.134 12.802 7.732 123 H ASN 13 H ASN 13 20.599 8.715 2.535 124 HA ASN 13 HA ASN 13 22.118 7.599 0.450 125 HB2 ASN 13 2HB ASN 13 20.217 6.684 2.405 126 HB3 ASN 13 3HB ASN 13 19.846 5.964 0.841 127 HD21 ASN 13 1HD2 ASN 13 22.029 5.340 -0.339 128 HD22 ASN 13 2HD2 ASN 13 23.075 4.355 0.620 129 H MET 14 H MET 14 19.202 9.379 0.415 130 HA MET 14 HA MET 14 17.905 8.328 -1.828 131 HB2 MET 14 2HB MET 14 17.003 10.047 -0.218 132 HB3 MET 14 3HB MET 14 17.983 11.245 -1.052 133 HG2 MET 14 2HG MET 14 16.294 11.562 -2.438 134 HG3 MET 14 3HG MET 14 16.571 9.938 -3.063 135 HE1 MET 14 1HE MET 14 13.292 8.656 -2.896 136 HE2 MET 14 2HE MET 14 14.911 8.771 -3.586 137 HE3 MET 14 3HE MET 14 14.614 7.715 -2.204 138 H ALA 15 H ALA 15 20.198 11.052 -1.640 139 HA ALA 15 HA ALA 15 20.371 11.302 -4.489 140 HB1 ALA 15 1HB ALA 15 22.565 12.501 -3.012 141 HB2 ALA 15 2HB ALA 15 21.346 13.255 -4.040 142 HB3 ALA 15 3HB ALA 15 20.988 12.926 -2.345 143 H HIS 16 H HIS 16 21.496 8.973 -2.501 144 HA HIS 16 HA HIS 16 24.021 8.602 -3.958 145 HB2 HIS 16 2HB HIS 16 23.228 8.154 -1.231 146 HB3 HIS 16 3HB HIS 16 23.766 6.637 -1.944 147 HD1 HIS 16 HD1 HIS 16 26.217 6.263 -1.949 148 HD2 HIS 16 HD2 HIS 16 25.257 10.286 -1.554 149 HE1 HIS 16 HE1 HIS 16 28.406 7.442 -1.573 150 H ILE 17 H ILE 17 20.827 7.442 -3.700 151 HA ILE 17 HA ILE 17 21.020 4.754 -4.306 152 HB ILE 17 HB ILE 17 18.809 4.879 -5.239 153 HG12 ILE 17 2HG1 ILE 17 19.468 7.792 -5.571 154 HG13 ILE 17 3HG1 ILE 17 18.852 6.657 -6.767 155 HG21 ILE 17 1HG2 ILE 17 18.823 7.010 -3.132 156 HG22 ILE 17 2HG2 ILE 17 17.659 5.712 -3.391 157 HG23 ILE 17 3HG2 ILE 17 19.262 5.345 -2.752 158 HD11 ILE 17 1HD1 ILE 17 17.347 7.901 -4.484 159 HD12 ILE 17 2HD1 ILE 17 17.105 8.165 -6.211 160 HD13 ILE 17 3HD1 ILE 17 16.710 6.603 -5.494 161 H ARG 18 H ARG 18 21.222 7.535 -6.475 162 HA ARG 18 HA ARG 18 21.503 5.845 -8.811 163 HB2 ARG 18 2HB ARG 18 21.023 8.674 -8.279 164 HB3 ARG 18 3HB ARG 18 22.181 8.417 -9.577 165 HG2 ARG 18 2HG ARG 18 19.850 6.697 -9.804 166 HG3 ARG 18 3HG ARG 18 19.442 8.415 -9.814 167 HD2 ARG 18 2HD ARG 18 21.531 7.137 -11.573 168 HD3 ARG 18 3HD ARG 18 19.874 7.472 -12.072 169 HE ARG 18 HE ARG 18 21.158 9.806 -11.071 170 HH11 ARG 18 1HH1 ARG 18 20.926 7.732 -13.857 171 HH12 ARG 18 2HH1 ARG 18 21.362 8.975 -14.982 172 HH21 ARG 18 1HH2 ARG 18 21.734 11.451 -12.541 173 HH22 ARG 18 2HH2 ARG 18 21.823 11.091 -14.232 Start of MODEL 12 1 H1 PHE 1 H PHE 1 2.485 4.423 -1.474 2 HA PHE 1 HA PHE 1 1.364 2.664 -2.722 3 HB2 PHE 1 2HB PHE 1 3.150 3.784 -4.794 4 HB3 PHE 1 3HB PHE 1 2.933 2.038 -4.842 5 HD1 PHE 1 HD1 PHE 1 1.312 1.300 -6.271 6 HD2 PHE 1 HD2 PHE 1 0.781 5.046 -4.323 7 HE1 PHE 1 HE1 PHE 1 -0.835 1.597 -7.436 8 HE2 PHE 1 HE2 PHE 1 -1.367 5.350 -5.484 9 HZ PHE 1 HZ PHE 1 -2.178 3.624 -7.042 10 H LEU 2 H LEU 2 4.719 3.328 -2.114 11 HA LEU 2 HA LEU 2 5.108 0.505 -1.364 12 HB2 LEU 2 2HB LEU 2 7.615 1.191 -1.722 13 HB3 LEU 2 3HB LEU 2 6.607 0.669 -3.071 14 HG LEU 2 HG LEU 2 6.652 3.573 -2.568 15 HD11 LEU 2 1HD1 LEU 2 8.827 3.849 -3.687 16 HD12 LEU 2 2HD1 LEU 2 9.086 2.109 -3.575 17 HD13 LEU 2 3HD1 LEU 2 8.973 3.079 -2.107 18 HD21 LEU 2 1HD2 LEU 2 7.307 2.374 -5.183 19 HD22 LEU 2 2HD2 LEU 2 6.197 3.683 -4.778 20 HD23 LEU 2 3HD2 LEU 2 5.709 2.005 -4.535 21 HA PRO 3 HA PRO 3 6.145 1.766 2.708 22 HB2 PRO 3 2HB PRO 3 8.158 0.060 3.347 23 HB3 PRO 3 3HB PRO 3 6.472 -0.452 3.208 24 HG2 PRO 3 2HG PRO 3 8.699 -0.706 1.223 25 HG3 PRO 3 3HG PRO 3 7.462 -1.894 1.674 26 HD2 PRO 3 2HD PRO 3 7.294 -0.399 -0.577 27 HD3 PRO 3 3HD PRO 3 5.861 -0.924 0.330 28 H LYS 4 H LYS 4 6.964 3.844 2.495 29 HA LYS 4 HA LYS 4 9.896 4.044 2.259 30 HB2 LYS 4 2HB LYS 4 9.066 6.567 1.720 31 HB3 LYS 4 3HB LYS 4 9.381 5.352 0.489 32 HG2 LYS 4 2HG LYS 4 7.149 4.979 0.088 33 HG3 LYS 4 3HG LYS 4 6.659 5.541 1.688 34 HD2 LYS 4 2HD LYS 4 6.001 7.139 -0.030 35 HD3 LYS 4 3HD LYS 4 7.213 7.840 1.045 36 HE2 LYS 4 2HE LYS 4 8.589 8.206 -0.662 37 HE3 LYS 4 3HE LYS 4 8.497 6.516 -1.154 38 HZ1 LYS 4 1HZ LYS 4 7.008 8.823 -2.143 39 HZ2 LYS 4 2HZ LYS 4 6.182 7.349 -2.074 40 HZ3 LYS 4 3HZ LYS 4 7.604 7.480 -2.981 41 H LEU 5 H LEU 5 8.513 3.505 4.691 42 HA LEU 5 HA LEU 5 7.841 5.557 6.338 43 HB2 LEU 5 2HB LEU 5 9.717 3.370 7.199 44 HB3 LEU 5 3HB LEU 5 8.541 4.235 8.187 45 HG LEU 5 HG LEU 5 7.007 3.041 6.209 46 HD11 LEU 5 1HD1 LEU 5 8.634 0.804 7.262 47 HD12 LEU 5 2HD1 LEU 5 9.309 1.733 5.924 48 HD13 LEU 5 3HD1 LEU 5 7.741 0.947 5.748 49 HD21 LEU 5 1HD2 LEU 5 6.306 3.243 8.480 50 HD22 LEU 5 2HD2 LEU 5 7.631 2.223 9.041 51 HD23 LEU 5 3HD2 LEU 5 6.327 1.525 8.079 52 H PHE 6 H PHE 6 11.092 4.652 5.327 53 HA PHE 6 HA PHE 6 12.088 7.130 6.570 54 HB2 PHE 6 2HB PHE 6 12.864 4.685 7.371 55 HB3 PHE 6 3HB PHE 6 14.004 4.924 6.052 56 HD1 PHE 6 HD1 PHE 6 15.957 6.107 6.415 57 HD2 PHE 6 HD2 PHE 6 12.701 6.580 9.115 58 HE1 PHE 6 HE1 PHE 6 17.383 7.463 7.892 59 HE2 PHE 6 HE2 PHE 6 14.121 7.938 10.596 60 HZ PHE 6 HZ PHE 6 16.465 8.382 9.984 61 H ALA 7 H ALA 7 11.533 5.478 3.721 62 HA ALA 7 HA ALA 7 13.779 6.339 2.189 63 HB1 ALA 7 1HB ALA 7 11.774 4.535 1.791 64 HB2 ALA 7 2HB ALA 7 11.302 5.846 0.710 65 HB3 ALA 7 3HB ALA 7 12.891 5.099 0.548 66 H LYS 8 H LYS 8 10.723 7.750 3.069 67 HA LYS 8 HA LYS 8 10.959 9.884 1.108 68 HB2 LYS 8 2HB LYS 8 8.840 10.698 2.097 69 HB3 LYS 8 3HB LYS 8 8.738 9.030 1.551 70 HG2 LYS 8 2HG LYS 8 8.131 8.352 3.567 71 HG3 LYS 8 3HG LYS 8 9.551 9.105 4.298 72 HD2 LYS 8 2HD LYS 8 7.714 10.131 5.344 73 HD3 LYS 8 3HD LYS 8 8.262 11.300 4.140 74 HE2 LYS 8 2HE LYS 8 6.212 9.354 3.269 75 HE3 LYS 8 3HE LYS 8 5.697 10.576 4.430 76 HZ1 LYS 8 1HZ LYS 8 5.435 11.888 2.671 77 HZ2 LYS 8 2HZ LYS 8 6.290 10.852 1.644 78 HZ3 LYS 8 3HZ LYS 8 7.122 11.983 2.587 79 H ILE 9 H ILE 9 11.435 9.345 4.536 80 HA ILE 9 HA ILE 9 11.735 12.102 5.223 81 HB ILE 9 HB ILE 9 12.255 11.407 7.379 82 HG12 ILE 9 2HG1 ILE 9 12.904 8.816 7.615 83 HG13 ILE 9 3HG1 ILE 9 13.535 9.106 5.998 84 HG21 ILE 9 1HG2 ILE 9 10.089 10.342 6.168 85 HG22 ILE 9 2HG2 ILE 9 10.864 8.884 6.785 86 HG23 ILE 9 3HG2 ILE 9 10.432 10.188 7.891 87 HD11 ILE 9 1HD1 ILE 9 14.566 9.933 8.584 88 HD12 ILE 9 2HD1 ILE 9 15.382 9.785 7.027 89 HD13 ILE 9 3HD1 ILE 9 14.484 11.252 7.416 90 H THR 10 H THR 10 13.837 9.628 3.999 91 HA THR 10 HA THR 10 16.264 11.066 4.655 92 HB THR 10 HB THR 10 17.356 9.264 3.244 93 HG1 THR 10 HG1 THR 10 16.081 7.989 2.149 94 HG21 THR 10 1HG2 THR 10 17.042 7.517 4.941 95 HG22 THR 10 2HG2 THR 10 15.637 8.380 5.565 96 HG23 THR 10 3HG2 THR 10 17.240 9.106 5.679 97 H LYS 11 H LYS 11 17.044 12.673 3.475 98 HA LYS 11 HA LYS 11 16.389 12.761 0.602 99 HB2 LYS 11 2HB LYS 11 16.634 15.275 0.851 100 HB3 LYS 11 3HB LYS 11 15.207 14.559 1.590 101 HG2 LYS 11 2HG LYS 11 17.641 14.923 3.260 102 HG3 LYS 11 3HG LYS 11 16.661 16.336 2.862 103 HD2 LYS 11 2HD LYS 11 14.684 14.793 3.634 104 HD3 LYS 11 3HD LYS 11 15.965 13.935 4.493 105 HE2 LYS 11 2HE LYS 11 16.639 16.133 5.490 106 HE3 LYS 11 3HE LYS 11 15.190 16.834 4.771 107 HZ1 LYS 11 1HZ LYS 11 14.873 14.439 6.419 108 HZ2 LYS 11 2HZ LYS 11 13.835 15.759 6.223 109 HZ3 LYS 11 3HZ LYS 11 15.201 15.897 7.212 110 H LYS 12 H LYS 12 18.749 11.750 2.286 111 HA LYS 12 HA LYS 12 20.840 13.243 0.840 112 HB2 LYS 12 2HB LYS 12 22.234 12.048 2.825 113 HB3 LYS 12 3HB LYS 12 21.578 13.676 2.935 114 HG2 LYS 12 2HG LYS 12 19.854 13.034 4.322 115 HG3 LYS 12 3HG LYS 12 19.913 11.352 3.789 116 HD2 LYS 12 2HD LYS 12 21.097 10.917 5.626 117 HD3 LYS 12 3HD LYS 12 22.421 11.826 4.894 118 HE2 LYS 12 2HE LYS 12 20.254 12.980 6.648 119 HE3 LYS 12 3HE LYS 12 21.900 12.613 7.161 120 HZ1 LYS 12 1HZ LYS 12 20.904 14.836 5.590 121 HZ2 LYS 12 2HZ LYS 12 22.360 14.168 5.046 122 HZ3 LYS 12 3HZ LYS 12 22.238 14.754 6.628 123 H ASN 13 H ASN 13 20.903 10.170 2.614 124 HA ASN 13 HA ASN 13 22.587 8.823 0.901 125 HB2 ASN 13 2HB ASN 13 20.726 8.085 3.037 126 HB3 ASN 13 3HB ASN 13 20.952 6.810 1.844 127 HD21 ASN 13 1HD2 ASN 13 22.998 5.906 1.564 128 HD22 ASN 13 2HD2 ASN 13 24.241 6.081 2.751 129 H MET 14 H MET 14 19.176 9.431 0.581 130 HA MET 14 HA MET 14 18.504 7.470 -1.299 131 HB2 MET 14 2HB MET 14 16.917 8.989 -0.063 132 HB3 MET 14 3HB MET 14 17.368 10.265 -1.186 133 HG2 MET 14 2HG MET 14 15.747 9.566 -2.513 134 HG3 MET 14 3HG MET 14 16.691 8.106 -2.799 135 HE1 MET 14 1HE MET 14 14.097 5.625 -2.007 136 HE2 MET 14 2HE MET 14 14.405 6.729 -3.348 137 HE3 MET 14 3HE MET 14 15.750 5.911 -2.551 138 H ALA 15 H ALA 15 19.496 10.852 -1.834 139 HA ALA 15 HA ALA 15 19.672 10.512 -4.674 140 HB1 ALA 15 1HB ALA 15 20.460 12.776 -4.731 141 HB2 ALA 15 2HB ALA 15 19.137 12.674 -3.569 142 HB3 ALA 15 3HB ALA 15 20.804 12.749 -3.001 143 H HIS 16 H HIS 16 21.554 9.329 -2.287 144 HA HIS 16 HA HIS 16 24.073 9.686 -3.757 145 HB2 HIS 16 2HB HIS 16 23.415 9.569 -0.961 146 HB3 HIS 16 3HB HIS 16 24.544 8.276 -1.354 147 HD1 HIS 16 HD1 HIS 16 24.269 12.020 -2.012 148 HD2 HIS 16 HD2 HIS 16 27.112 9.093 -1.229 149 HE1 HIS 16 HE1 HIS 16 26.464 13.238 -1.858 150 H ILE 17 H ILE 17 21.604 7.434 -3.090 151 HA ILE 17 HA ILE 17 22.883 4.986 -3.107 152 HB ILE 17 HB ILE 17 20.846 4.009 -3.929 153 HG12 ILE 17 2HG1 ILE 17 20.295 6.794 -4.918 154 HG13 ILE 17 3HG1 ILE 17 20.235 5.275 -5.807 155 HG21 ILE 17 1HG2 ILE 17 19.924 6.375 -2.336 156 HG22 ILE 17 2HG2 ILE 17 19.382 4.700 -2.251 157 HG23 ILE 17 3HG2 ILE 17 20.971 5.144 -1.629 158 HD11 ILE 17 1HD1 ILE 17 18.266 6.282 -3.773 159 HD12 ILE 17 2HD1 ILE 17 18.009 6.041 -5.501 160 HD13 ILE 17 3HD1 ILE 17 18.245 4.651 -4.442 161 H ARG 18 H ARG 18 22.041 7.066 -5.835 162 HA ARG 18 HA ARG 18 23.267 5.168 -7.693 163 HB2 ARG 18 2HB ARG 18 21.311 7.365 -7.918 164 HB3 ARG 18 3HB ARG 18 22.449 7.239 -9.252 165 HG2 ARG 18 2HG ARG 18 21.635 5.215 -9.941 166 HG3 ARG 18 3HG ARG 18 21.053 4.780 -8.333 167 HD2 ARG 18 2HD ARG 18 19.102 5.206 -9.538 168 HD3 ARG 18 3HD ARG 18 19.377 6.696 -8.636 169 HE ARG 18 HE ARG 18 20.610 7.156 -11.003 170 HH11 ARG 18 1HH1 ARG 18 17.412 6.100 -10.122 171 HH12 ARG 18 2HH1 ARG 18 16.654 6.813 -11.507 172 HH21 ARG 18 1HH2 ARG 18 19.624 8.099 -12.830 173 HH22 ARG 18 2HH2 ARG 18 17.913 7.949 -13.048 Start of MODEL 13 1 H1 PHE 1 H PHE 1 4.127 -3.768 -2.509 2 HA PHE 1 HA PHE 1 2.932 -1.283 -3.452 3 HB2 PHE 1 2HB PHE 1 2.972 -2.139 -0.556 4 HB3 PHE 1 3HB PHE 1 2.747 -0.468 -1.063 5 HD1 PHE 1 HD1 PHE 1 1.324 -3.873 -1.522 6 HD2 PHE 1 HD2 PHE 1 0.621 0.325 -1.511 7 HE1 PHE 1 HE1 PHE 1 -1.090 -4.279 -1.772 8 HE2 PHE 1 HE2 PHE 1 -1.793 -0.074 -1.759 9 HZ PHE 1 HZ PHE 1 -2.652 -2.379 -1.889 10 H LEU 2 H LEU 2 4.159 0.639 -2.622 11 HA LEU 2 HA LEU 2 6.911 0.055 -1.841 12 HB2 LEU 2 2HB LEU 2 6.155 1.624 -4.301 13 HB3 LEU 2 3HB LEU 2 7.778 1.547 -3.618 14 HG LEU 2 HG LEU 2 6.361 -0.947 -4.492 15 HD11 LEU 2 1HD1 LEU 2 7.377 -0.732 -6.682 16 HD12 LEU 2 2HD1 LEU 2 8.028 0.848 -6.249 17 HD13 LEU 2 3HD1 LEU 2 6.284 0.619 -6.379 18 HD21 LEU 2 1HD2 LEU 2 9.117 -0.120 -3.770 19 HD22 LEU 2 2HD2 LEU 2 8.933 -1.342 -5.029 20 HD23 LEU 2 3HD2 LEU 2 8.254 -1.619 -3.424 21 HA PRO 3 HA PRO 3 5.007 3.784 0.215 22 HB2 PRO 3 2HB PRO 3 5.579 2.989 2.747 23 HB3 PRO 3 3HB PRO 3 4.096 2.522 1.906 24 HG2 PRO 3 2HG PRO 3 6.626 0.968 2.288 25 HG3 PRO 3 3HG PRO 3 4.945 0.421 2.426 26 HD2 PRO 3 2HD PRO 3 6.455 -0.051 0.228 27 HD3 PRO 3 3HD PRO 3 4.699 0.196 0.145 28 H LYS 4 H LYS 4 6.118 5.516 1.114 29 HA LYS 4 HA LYS 4 9.041 5.188 1.315 30 HB2 LYS 4 2HB LYS 4 8.772 7.828 0.797 31 HB3 LYS 4 3HB LYS 4 9.023 6.609 -0.446 32 HG2 LYS 4 2HG LYS 4 6.848 6.695 -1.167 33 HG3 LYS 4 3HG LYS 4 6.242 7.270 0.388 34 HD2 LYS 4 2HD LYS 4 6.132 9.040 -1.277 35 HD3 LYS 4 3HD LYS 4 7.301 9.449 -0.018 36 HE2 LYS 4 2HE LYS 4 9.132 8.950 -1.426 37 HE3 LYS 4 3HE LYS 4 8.101 8.143 -2.606 38 HZ1 LYS 4 1HZ LYS 4 7.110 10.250 -3.168 39 HZ2 LYS 4 2HZ LYS 4 8.791 10.363 -3.325 40 HZ3 LYS 4 3HZ LYS 4 8.019 11.045 -1.983 41 H LEU 5 H LEU 5 7.207 4.852 3.483 42 HA LEU 5 HA LEU 5 6.688 6.960 5.121 43 HB2 LEU 5 2HB LEU 5 6.705 5.480 6.939 44 HB3 LEU 5 3HB LEU 5 6.270 4.503 5.539 45 HG LEU 5 HG LEU 5 8.920 4.073 5.575 46 HD11 LEU 5 1HD1 LEU 5 9.568 3.697 7.948 47 HD12 LEU 5 2HD1 LEU 5 8.129 4.591 8.435 48 HD13 LEU 5 3HD1 LEU 5 9.396 5.397 7.511 49 HD21 LEU 5 1HD2 LEU 5 8.021 2.174 7.354 50 HD22 LEU 5 2HD2 LEU 5 7.908 2.085 5.596 51 HD23 LEU 5 3HD2 LEU 5 6.546 2.694 6.538 52 H PHE 6 H PHE 6 9.815 5.476 4.516 53 HA PHE 6 HA PHE 6 11.066 7.636 6.080 54 HB2 PHE 6 2HB PHE 6 11.236 5.060 6.797 55 HB3 PHE 6 3HB PHE 6 12.570 5.109 5.649 56 HD1 PHE 6 HD1 PHE 6 14.652 5.853 6.328 57 HD2 PHE 6 HD2 PHE 6 11.223 6.865 8.637 58 HE1 PHE 6 HE1 PHE 6 16.108 6.822 8.059 59 HE2 PHE 6 HE2 PHE 6 12.673 7.836 10.371 60 HZ PHE 6 HZ PHE 6 15.118 7.816 10.083 61 H ALA 7 H ALA 7 10.657 6.246 3.061 62 HA ALA 7 HA ALA 7 13.224 6.741 1.926 63 HB1 ALA 7 1HB ALA 7 10.939 6.798 0.093 64 HB2 ALA 7 2HB ALA 7 12.384 5.787 0.079 65 HB3 ALA 7 3HB ALA 7 11.022 5.365 1.117 66 H LYS 8 H LYS 8 10.372 8.663 2.461 67 HA LYS 8 HA LYS 8 11.284 10.802 0.721 68 HB2 LYS 8 2HB LYS 8 9.227 11.962 1.474 69 HB3 LYS 8 3HB LYS 8 8.904 10.373 0.792 70 HG2 LYS 8 2HG LYS 8 7.903 9.715 2.652 71 HG3 LYS 8 3HG LYS 8 9.304 10.166 3.626 72 HD2 LYS 8 2HD LYS 8 8.376 12.110 4.278 73 HD3 LYS 8 3HD LYS 8 7.688 12.429 2.685 74 HE2 LYS 8 2HE LYS 8 5.810 11.063 3.118 75 HE3 LYS 8 3HE LYS 8 6.564 10.349 4.543 76 HZ1 LYS 8 1HZ LYS 8 4.868 12.522 4.470 77 HZ2 LYS 8 2HZ LYS 8 6.396 13.167 4.804 78 HZ3 LYS 8 3HZ LYS 8 5.750 11.964 5.802 79 H ILE 9 H ILE 9 11.147 10.024 4.132 80 HA ILE 9 HA ILE 9 11.843 12.639 5.052 81 HB ILE 9 HB ILE 9 11.888 11.765 7.200 82 HG12 ILE 9 2HG1 ILE 9 12.036 9.091 7.345 83 HG13 ILE 9 3HG1 ILE 9 12.948 9.332 5.859 84 HG21 ILE 9 1HG2 ILE 9 10.189 9.566 6.223 85 HG22 ILE 9 2HG2 ILE 9 9.831 10.858 7.368 86 HG23 ILE 9 3HG2 ILE 9 9.777 11.177 5.635 87 HD11 ILE 9 1HD1 ILE 9 14.667 9.500 7.295 88 HD12 ILE 9 2HD1 ILE 9 14.119 11.172 7.417 89 HD13 ILE 9 3HD1 ILE 9 13.640 9.995 8.640 90 H THR 10 H THR 10 13.610 9.866 3.945 91 HA THR 10 HA THR 10 16.136 10.775 5.032 92 HB THR 10 HB THR 10 17.071 8.864 3.645 93 HG1 THR 10 HG1 THR 10 15.532 8.497 2.120 94 HG21 THR 10 1HG2 THR 10 16.578 8.627 6.031 95 HG22 THR 10 2HG2 THR 10 16.213 7.137 5.160 96 HG23 THR 10 3HG2 THR 10 14.907 8.215 5.650 97 H LYS 11 H LYS 11 17.378 12.243 4.090 98 HA LYS 11 HA LYS 11 17.159 12.614 1.174 99 HB2 LYS 11 2HB LYS 11 17.944 15.002 1.717 100 HB3 LYS 11 3HB LYS 11 16.272 14.586 2.070 101 HG2 LYS 11 2HG LYS 11 17.057 15.814 3.920 102 HG3 LYS 11 3HG LYS 11 17.006 14.126 4.435 103 HD2 LYS 11 2HD LYS 11 19.211 14.075 4.798 104 HD3 LYS 11 3HD LYS 11 19.560 14.844 3.248 105 HE2 LYS 11 2HE LYS 11 18.863 17.025 4.332 106 HE3 LYS 11 3HE LYS 11 18.887 16.162 5.869 107 HZ1 LYS 11 1HZ LYS 11 20.971 17.387 5.297 108 HZ2 LYS 11 2HZ LYS 11 21.218 16.282 4.041 109 HZ3 LYS 11 3HZ LYS 11 21.191 15.746 5.646 110 H LYS 12 H LYS 12 19.017 11.050 3.073 111 HA LYS 12 HA LYS 12 21.571 12.236 2.236 112 HB2 LYS 12 2HB LYS 12 21.706 9.904 3.998 113 HB3 LYS 12 3HB LYS 12 22.478 11.477 4.151 114 HG2 LYS 12 2HG LYS 12 20.190 12.335 4.887 115 HG3 LYS 12 3HG LYS 12 19.752 10.635 5.069 116 HD2 LYS 12 2HD LYS 12 20.488 11.169 7.193 117 HD3 LYS 12 3HD LYS 12 21.947 10.496 6.462 118 HE2 LYS 12 2HE LYS 12 22.962 12.379 7.097 119 HE3 LYS 12 3HE LYS 12 22.074 13.167 5.793 120 HZ1 LYS 12 1HZ LYS 12 20.245 13.480 7.492 121 HZ2 LYS 12 2HZ LYS 12 21.632 14.426 7.696 122 HZ3 LYS 12 3HZ LYS 12 21.388 13.063 8.668 123 H ASN 13 H ASN 13 20.473 8.894 2.810 124 HA ASN 13 HA ASN 13 22.212 7.755 0.922 125 HB2 ASN 13 2HB ASN 13 20.170 6.847 2.733 126 HB3 ASN 13 3HB ASN 13 19.975 6.048 1.176 127 HD21 ASN 13 1HD2 ASN 13 22.329 5.525 0.240 128 HD22 ASN 13 2HD2 ASN 13 23.297 4.601 1.333 129 H MET 14 H MET 14 19.249 9.411 0.536 130 HA MET 14 HA MET 14 18.208 8.215 -1.766 131 HB2 MET 14 2HB MET 14 17.096 9.963 -0.327 132 HB3 MET 14 3HB MET 14 18.106 11.163 -1.121 133 HG2 MET 14 2HG MET 14 16.545 11.352 -2.671 134 HG3 MET 14 3HG MET 14 16.938 9.715 -3.192 135 HE1 MET 14 1HE MET 14 14.953 8.616 -3.950 136 HE2 MET 14 2HE MET 14 15.435 7.562 -2.621 137 HE3 MET 14 3HE MET 14 13.735 7.978 -2.845 138 H ALA 15 H ALA 15 20.372 11.036 -1.492 139 HA ALA 15 HA ALA 15 20.803 11.171 -4.322 140 HB1 ALA 15 1HB ALA 15 21.365 13.235 -3.735 141 HB2 ALA 15 2HB ALA 15 21.405 12.785 -2.029 142 HB3 ALA 15 3HB ALA 15 22.847 12.590 -3.026 143 H HIS 16 H HIS 16 21.821 8.976 -2.133 144 HA HIS 16 HA HIS 16 24.483 8.647 -3.333 145 HB2 HIS 16 2HB HIS 16 23.454 8.284 -0.672 146 HB3 HIS 16 3HB HIS 16 24.112 6.760 -1.262 147 HD1 HIS 16 HD1 HIS 16 26.631 6.564 -1.437 148 HD2 HIS 16 HD2 HIS 16 25.359 10.404 -0.490 149 HE1 HIS 16 HE1 HIS 16 28.714 7.827 -0.810 150 H ILE 17 H ILE 17 21.323 7.370 -3.318 151 HA ILE 17 HA ILE 17 21.671 4.669 -3.778 152 HB ILE 17 HB ILE 17 19.554 4.664 -4.916 153 HG12 ILE 17 2HG1 ILE 17 20.135 7.585 -5.320 154 HG13 ILE 17 3HG1 ILE 17 19.676 6.376 -6.514 155 HG21 ILE 17 1HG2 ILE 17 19.755 5.254 -2.422 156 HG22 ILE 17 2HG2 ILE 17 19.292 6.881 -2.918 157 HG23 ILE 17 3HG2 ILE 17 18.207 5.525 -3.221 158 HD11 ILE 17 1HD1 ILE 17 17.427 6.291 -5.448 159 HD12 ILE 17 2HD1 ILE 17 17.918 7.653 -4.440 160 HD13 ILE 17 3HD1 ILE 17 17.832 7.837 -6.192 161 H ARG 18 H ARG 18 21.975 7.360 -6.045 162 HA ARG 18 HA ARG 18 22.989 5.466 -8.061 163 HB2 ARG 18 2HB ARG 18 22.351 7.112 -9.760 164 HB3 ARG 18 3HB ARG 18 20.966 6.633 -8.788 165 HG2 ARG 18 2HG ARG 18 21.567 8.751 -7.393 166 HG3 ARG 18 3HG ARG 18 22.419 9.232 -8.861 167 HD2 ARG 18 2HD ARG 18 19.508 8.462 -8.688 168 HD3 ARG 18 3HD ARG 18 20.128 10.108 -8.799 169 HE ARG 18 HE ARG 18 21.181 8.864 -10.975 170 HH11 ARG 18 1HH1 ARG 18 17.958 9.259 -9.719 171 HH12 ARG 18 2HH1 ARG 18 17.205 9.222 -11.279 172 HH21 ARG 18 1HH2 ARG 18 20.201 8.814 -13.034 173 HH22 ARG 18 2HH2 ARG 18 18.482 8.968 -13.164 Start of MODEL 14 1 H1 PHE 1 H PHE 1 5.331 2.345 -5.998 2 HA PHE 1 HA PHE 1 3.550 1.279 -5.021 3 HB2 PHE 1 2HB PHE 1 5.316 -0.509 -6.009 4 HB3 PHE 1 3HB PHE 1 5.253 -1.046 -4.333 5 HD1 PHE 1 HD1 PHE 1 3.859 -1.487 -7.474 6 HD2 PHE 1 HD2 PHE 1 2.754 -1.171 -3.376 7 HE1 PHE 1 HE1 PHE 1 1.770 -2.697 -7.948 8 HE2 PHE 1 HE2 PHE 1 0.663 -2.381 -3.843 9 HZ PHE 1 HZ PHE 1 0.169 -3.146 -6.131 10 H LEU 2 H LEU 2 6.369 0.306 -3.058 11 HA LEU 2 HA LEU 2 4.888 0.102 -0.654 12 HB2 LEU 2 2HB LEU 2 7.700 -0.065 -1.473 13 HB3 LEU 2 3HB LEU 2 7.451 0.491 0.180 14 HG LEU 2 HG LEU 2 6.207 -1.555 0.683 15 HD11 LEU 2 1HD1 LEU 2 6.070 -3.369 -0.898 16 HD12 LEU 2 2HD1 LEU 2 6.934 -2.424 -2.110 17 HD13 LEU 2 3HD1 LEU 2 5.322 -1.930 -1.592 18 HD21 LEU 2 1HD2 LEU 2 8.120 -3.154 0.423 19 HD22 LEU 2 2HD2 LEU 2 8.537 -1.610 1.166 20 HD23 LEU 2 3HD2 LEU 2 8.943 -1.914 -0.524 21 HA PRO 3 HA PRO 3 4.728 4.201 0.900 22 HB2 PRO 3 2HB PRO 3 5.240 3.849 3.543 23 HB3 PRO 3 3HB PRO 3 3.724 3.349 2.783 24 HG2 PRO 3 2HG PRO 3 6.126 1.704 3.479 25 HG3 PRO 3 3HG PRO 3 4.408 1.322 3.694 26 HD2 PRO 3 2HD PRO 3 5.873 0.336 1.641 27 HD3 PRO 3 3HD PRO 3 4.141 0.697 1.491 28 H LYS 4 H LYS 4 5.946 5.924 1.976 29 HA LYS 4 HA LYS 4 8.855 5.464 1.858 30 HB2 LYS 4 2HB LYS 4 8.642 8.138 1.471 31 HB3 LYS 4 3HB LYS 4 8.739 6.960 0.169 32 HG2 LYS 4 2HG LYS 4 6.504 7.128 -0.337 33 HG3 LYS 4 3HG LYS 4 6.071 7.691 1.280 34 HD2 LYS 4 2HD LYS 4 5.879 9.496 -0.347 35 HD3 LYS 4 3HD LYS 4 7.159 9.838 0.819 36 HE2 LYS 4 2HE LYS 4 8.843 9.154 -0.772 37 HE3 LYS 4 3HE LYS 4 7.601 8.660 -1.922 38 HZ1 LYS 4 1HZ LYS 4 8.797 11.073 -1.882 39 HZ2 LYS 4 2HZ LYS 4 7.366 11.393 -1.039 40 HZ3 LYS 4 3HZ LYS 4 7.300 10.752 -2.603 41 H LEU 5 H LEU 5 7.272 5.104 4.196 42 HA LEU 5 HA LEU 5 6.993 7.149 5.961 43 HB2 LEU 5 2HB LEU 5 7.858 5.422 7.705 44 HB3 LEU 5 3HB LEU 5 6.361 5.123 6.824 45 HG LEU 5 HG LEU 5 8.758 3.998 5.559 46 HD11 LEU 5 1HD1 LEU 5 9.385 2.473 7.122 47 HD12 LEU 5 2HD1 LEU 5 7.808 2.464 7.912 48 HD13 LEU 5 3HD1 LEU 5 8.930 3.794 8.198 49 HD21 LEU 5 1HD2 LEU 5 6.875 3.211 4.563 50 HD22 LEU 5 2HD2 LEU 5 5.915 3.314 6.039 51 HD23 LEU 5 3HD2 LEU 5 7.043 1.977 5.812 52 H PHE 6 H PHE 6 10.008 5.596 5.004 53 HA PHE 6 HA PHE 6 11.467 7.710 6.448 54 HB2 PHE 6 2HB PHE 6 11.636 5.106 7.104 55 HB3 PHE 6 3HB PHE 6 12.873 5.166 5.852 56 HD1 PHE 6 HD1 PHE 6 15.014 5.857 6.380 57 HD2 PHE 6 HD2 PHE 6 11.796 6.883 8.970 58 HE1 PHE 6 HE1 PHE 6 16.619 6.769 8.007 59 HE2 PHE 6 HE2 PHE 6 13.395 7.797 10.601 60 HZ PHE 6 HZ PHE 6 15.810 7.742 10.120 61 H ALA 7 H ALA 7 10.700 6.396 3.475 62 HA ALA 7 HA ALA 7 13.156 6.813 2.086 63 HB1 ALA 7 1HB ALA 7 10.818 5.538 1.495 64 HB2 ALA 7 2HB ALA 7 10.710 6.983 0.488 65 HB3 ALA 7 3HB ALA 7 12.096 5.903 0.335 66 H LYS 8 H LYS 8 10.457 8.828 2.955 67 HA LYS 8 HA LYS 8 11.265 10.963 1.154 68 HB2 LYS 8 2HB LYS 8 9.333 12.178 2.118 69 HB3 LYS 8 3HB LYS 8 8.889 10.612 1.452 70 HG2 LYS 8 2HG LYS 8 8.039 9.973 3.392 71 HG3 LYS 8 3HG LYS 8 9.553 10.333 4.225 72 HD2 LYS 8 2HD LYS 8 7.965 11.696 5.280 73 HD3 LYS 8 3HD LYS 8 8.798 12.776 4.160 74 HE2 LYS 8 2HE LYS 8 6.987 12.568 2.566 75 HE3 LYS 8 3HE LYS 8 6.176 11.393 3.599 76 HZ1 LYS 8 1HZ LYS 8 6.757 13.827 4.978 77 HZ2 LYS 8 2HZ LYS 8 5.286 13.007 4.815 78 HZ3 LYS 8 3HZ LYS 8 5.787 14.093 3.618 79 H ILE 9 H ILE 9 11.426 10.132 4.552 80 HA ILE 9 HA ILE 9 12.300 12.703 5.439 81 HB ILE 9 HB ILE 9 12.545 11.780 7.559 82 HG12 ILE 9 2HG1 ILE 9 12.577 9.099 7.637 83 HG13 ILE 9 3HG1 ILE 9 13.336 9.333 6.066 84 HG21 ILE 9 1HG2 ILE 9 10.650 9.682 6.750 85 HG22 ILE 9 2HG2 ILE 9 10.469 10.988 7.919 86 HG23 ILE 9 3HG2 ILE 9 10.257 11.310 6.199 87 HD11 ILE 9 1HD1 ILE 9 14.385 9.789 8.748 88 HD12 ILE 9 2HD1 ILE 9 15.229 9.471 7.232 89 HD13 ILE 9 3HD1 ILE 9 14.699 11.108 7.620 90 H THR 10 H THR 10 13.858 9.892 4.128 91 HA THR 10 HA THR 10 16.507 10.706 4.968 92 HB THR 10 HB THR 10 17.243 8.787 3.485 93 HG1 THR 10 HG1 THR 10 15.458 7.338 2.941 94 HG21 THR 10 1HG2 THR 10 15.244 8.184 5.669 95 HG22 THR 10 2HG2 THR 10 16.961 8.516 5.896 96 HG23 THR 10 3HG2 THR 10 16.449 7.061 5.042 97 H LYS 11 H LYS 11 17.699 12.145 3.924 98 HA LYS 11 HA LYS 11 17.206 12.565 1.048 99 HB2 LYS 11 2HB LYS 11 18.077 14.921 1.505 100 HB3 LYS 11 3HB LYS 11 16.465 14.540 2.096 101 HG2 LYS 11 2HG LYS 11 18.772 14.155 3.930 102 HG3 LYS 11 3HG LYS 11 18.215 15.797 3.598 103 HD2 LYS 11 2HD LYS 11 15.864 14.826 4.132 104 HD3 LYS 11 3HD LYS 11 16.771 13.536 4.926 105 HE2 LYS 11 2HE LYS 11 16.743 14.880 6.717 106 HE3 LYS 11 3HE LYS 11 18.011 15.775 5.880 107 HZ1 LYS 11 1HZ LYS 11 16.581 17.430 5.285 108 HZ2 LYS 11 2HZ LYS 11 15.874 16.971 6.752 109 HZ3 LYS 11 3HZ LYS 11 15.216 16.432 5.290 110 H LYS 12 H LYS 12 19.199 10.938 2.767 111 HA LYS 12 HA LYS 12 21.688 12.047 1.670 112 HB2 LYS 12 2HB LYS 12 21.937 9.717 3.420 113 HB3 LYS 12 3HB LYS 12 22.760 11.270 3.491 114 HG2 LYS 12 2HG LYS 12 20.587 12.190 4.452 115 HG3 LYS 12 3HG LYS 12 20.112 10.504 4.672 116 HD2 LYS 12 2HD LYS 12 21.657 10.141 6.316 117 HD3 LYS 12 3HD LYS 12 22.787 11.332 5.666 118 HE2 LYS 12 2HE LYS 12 21.980 12.248 7.683 119 HE3 LYS 12 3HE LYS 12 21.128 13.100 6.397 120 HZ1 LYS 12 1HZ LYS 12 20.083 11.437 8.476 121 HZ2 LYS 12 2HZ LYS 12 19.529 10.965 6.949 122 HZ3 LYS 12 3HZ LYS 12 19.284 12.551 7.484 123 H ASN 13 H ASN 13 20.558 8.740 2.369 124 HA ASN 13 HA ASN 13 22.061 7.557 0.307 125 HB2 ASN 13 2HB ASN 13 20.225 6.695 2.347 126 HB3 ASN 13 3HB ASN 13 19.839 5.892 0.828 127 HD21 ASN 13 1HD2 ASN 13 21.279 4.451 -0.056 128 HD22 ASN 13 2HD2 ASN 13 22.652 3.852 0.804 129 H MET 14 H MET 14 19.105 9.266 0.253 130 HA MET 14 HA MET 14 17.784 8.079 -1.906 131 HB2 MET 14 2HB MET 14 16.877 9.854 -0.361 132 HB3 MET 14 3HB MET 14 17.811 11.032 -1.274 133 HG2 MET 14 2HG MET 14 16.084 11.242 -2.635 134 HG3 MET 14 3HG MET 14 16.386 9.596 -3.187 135 HE1 MET 14 1HE MET 14 14.016 7.391 -1.406 136 HE2 MET 14 2HE MET 14 14.011 7.894 -3.096 137 HE3 MET 14 3HE MET 14 15.541 7.608 -2.265 138 H ALA 15 H ALA 15 20.016 10.860 -1.902 139 HA ALA 15 HA ALA 15 20.121 10.974 -4.763 140 HB1 ALA 15 1HB ALA 15 21.771 12.716 -4.451 141 HB2 ALA 15 2HB ALA 15 20.418 12.967 -3.347 142 HB3 ALA 15 3HB ALA 15 21.933 12.293 -2.746 143 H HIS 16 H HIS 16 21.343 8.770 -2.691 144 HA HIS 16 HA HIS 16 23.844 8.385 -4.186 145 HB2 HIS 16 2HB HIS 16 23.121 8.055 -1.423 146 HB3 HIS 16 3HB HIS 16 23.680 6.516 -2.074 147 HD1 HIS 16 HD1 HIS 16 25.105 8.762 -0.078 148 HD2 HIS 16 HD2 HIS 16 26.130 7.636 -3.943 149 HE1 HIS 16 HE1 HIS 16 27.536 9.355 -0.328 150 H ILE 17 H ILE 17 20.684 7.168 -3.799 151 HA ILE 17 HA ILE 17 20.928 4.459 -4.278 152 HB ILE 17 HB ILE 17 18.694 4.488 -5.164 153 HG12 ILE 17 2HG1 ILE 17 19.277 7.396 -5.652 154 HG13 ILE 17 3HG1 ILE 17 18.664 6.190 -6.778 155 HG21 ILE 17 1HG2 ILE 17 19.192 5.087 -2.715 156 HG22 ILE 17 2HG2 ILE 17 18.704 6.720 -3.165 157 HG23 ILE 17 3HG2 ILE 17 17.567 5.383 -3.332 158 HD11 ILE 17 1HD1 ILE 17 16.894 7.686 -6.256 159 HD12 ILE 17 2HD1 ILE 17 16.551 6.151 -5.457 160 HD13 ILE 17 3HD1 ILE 17 17.178 7.510 -4.525 161 H ARG 18 H ARG 18 21.018 7.133 -6.583 162 HA ARG 18 HA ARG 18 20.895 5.758 -8.972 163 HB2 ARG 18 2HB ARG 18 21.709 8.362 -8.102 164 HB3 ARG 18 3HB ARG 18 22.870 7.768 -9.282 165 HG2 ARG 18 2HG ARG 18 21.268 7.610 -10.963 166 HG3 ARG 18 3HG ARG 18 19.927 7.641 -9.815 167 HD2 ARG 18 2HD ARG 18 19.979 9.766 -10.871 168 HD3 ARG 18 3HD ARG 18 20.611 9.990 -9.241 169 HE ARG 18 HE ARG 18 22.621 10.597 -10.146 170 HH11 ARG 18 1HH1 ARG 18 20.722 8.984 -12.578 171 HH12 ARG 18 2HH1 ARG 18 21.831 9.334 -13.862 172 HH21 ARG 18 1HH2 ARG 18 24.088 11.065 -11.828 173 HH22 ARG 18 2HH2 ARG 18 23.746 10.517 -13.434 Start of MODEL 15 1 H1 PHE 1 H PHE 1 4.417 -0.578 -5.291 2 HA PHE 1 HA PHE 1 7.237 -1.371 -5.013 3 HB2 PHE 1 2HB PHE 1 6.285 1.047 -6.125 4 HB3 PHE 1 3HB PHE 1 6.926 1.445 -4.535 5 HD1 PHE 1 HD1 PHE 1 7.719 0.236 -7.884 6 HD2 PHE 1 HD2 PHE 1 9.278 1.154 -4.032 7 HE1 PHE 1 HE1 PHE 1 10.002 0.192 -8.801 8 HE2 PHE 1 HE2 PHE 1 11.563 1.112 -4.943 9 HZ PHE 1 HZ PHE 1 11.927 0.631 -7.330 10 H LEU 2 H LEU 2 8.217 -0.269 -3.004 11 HA LEU 2 HA LEU 2 6.434 -0.852 -0.778 12 HB2 LEU 2 2HB LEU 2 9.352 -0.703 -1.194 13 HB3 LEU 2 3HB LEU 2 8.772 -0.231 0.401 14 HG LEU 2 HG LEU 2 7.702 -2.433 0.645 15 HD11 LEU 2 1HD1 LEU 2 7.178 -3.228 -1.447 16 HD12 LEU 2 2HD1 LEU 2 8.619 -4.171 -1.071 17 HD13 LEU 2 3HD1 LEU 2 8.736 -2.768 -2.133 18 HD21 LEU 2 1HD2 LEU 2 9.988 -3.743 0.463 19 HD22 LEU 2 2HD2 LEU 2 9.736 -2.492 1.680 20 HD23 LEU 2 3HD2 LEU 2 10.625 -2.120 0.203 21 HA PRO 3 HA PRO 3 5.702 3.278 0.509 22 HB2 PRO 3 2HB PRO 3 5.892 3.094 3.211 23 HB3 PRO 3 3HB PRO 3 4.540 2.417 2.295 24 HG2 PRO 3 2HG PRO 3 6.969 1.044 3.381 25 HG3 PRO 3 3HG PRO 3 5.278 0.508 3.398 26 HD2 PRO 3 2HD PRO 3 7.084 -0.421 1.607 27 HD3 PRO 3 3HD PRO 3 5.361 -0.237 1.218 28 H LYS 4 H LYS 4 6.639 5.186 1.403 29 HA LYS 4 HA LYS 4 9.543 4.980 1.866 30 HB2 LYS 4 2HB LYS 4 9.229 7.544 1.037 31 HB3 LYS 4 3HB LYS 4 9.648 6.208 -0.027 32 HG2 LYS 4 2HG LYS 4 7.537 6.086 -0.932 33 HG3 LYS 4 3HG LYS 4 6.777 6.843 0.471 34 HD2 LYS 4 2HD LYS 4 6.756 8.383 -1.392 35 HD3 LYS 4 3HD LYS 4 7.854 8.981 -0.145 36 HE2 LYS 4 2HE LYS 4 9.438 7.383 -1.785 37 HE3 LYS 4 3HE LYS 4 8.392 8.266 -2.896 38 HZ1 LYS 4 1HZ LYS 4 10.419 9.292 -1.041 39 HZ2 LYS 4 2HZ LYS 4 9.087 10.270 -1.401 40 HZ3 LYS 4 3HZ LYS 4 10.104 9.734 -2.643 41 H LEU 5 H LEU 5 7.557 4.822 3.914 42 HA LEU 5 HA LEU 5 6.840 7.066 5.263 43 HB2 LEU 5 2HB LEU 5 7.239 4.335 5.900 44 HB3 LEU 5 3HB LEU 5 7.977 5.292 7.183 45 HG LEU 5 HG LEU 5 5.487 6.463 6.798 46 HD11 LEU 5 1HD1 LEU 5 3.924 4.926 6.336 47 HD12 LEU 5 2HD1 LEU 5 4.758 3.659 7.236 48 HD13 LEU 5 3HD1 LEU 5 5.252 4.040 5.586 49 HD21 LEU 5 1HD2 LEU 5 5.928 4.346 8.857 50 HD22 LEU 5 2HD2 LEU 5 5.154 5.923 9.014 51 HD23 LEU 5 3HD2 LEU 5 6.909 5.811 8.882 52 H PHE 6 H PHE 6 10.063 5.649 5.109 53 HA PHE 6 HA PHE 6 11.104 8.059 6.447 54 HB2 PHE 6 2HB PHE 6 11.294 5.597 7.514 55 HB3 PHE 6 3HB PHE 6 12.737 5.582 6.506 56 HD1 PHE 6 HD1 PHE 6 14.700 6.515 7.291 57 HD2 PHE 6 HD2 PHE 6 11.003 7.626 9.084 58 HE1 PHE 6 HE1 PHE 6 15.920 7.777 9.016 59 HE2 PHE 6 HE2 PHE 6 12.216 8.891 10.811 60 HZ PHE 6 HZ PHE 6 14.678 8.968 10.778 61 H ALA 7 H ALA 7 10.983 6.283 3.622 62 HA ALA 7 HA ALA 7 13.629 6.703 2.643 63 HB1 ALA 7 1HB ALA 7 12.970 5.481 0.884 64 HB2 ALA 7 2HB ALA 7 11.528 5.164 1.849 65 HB3 ALA 7 3HB ALA 7 11.513 6.443 0.636 66 H LYS 8 H LYS 8 10.705 8.587 2.696 67 HA LYS 8 HA LYS 8 11.715 10.509 0.763 68 HB2 LYS 8 2HB LYS 8 9.572 11.683 1.175 69 HB3 LYS 8 3HB LYS 8 9.350 10.009 0.685 70 HG2 LYS 8 2HG LYS 8 8.195 9.568 2.520 71 HG3 LYS 8 3HG LYS 8 9.496 10.179 3.544 72 HD2 LYS 8 2HD LYS 8 7.786 11.607 4.113 73 HD3 LYS 8 3HD LYS 8 8.558 12.516 2.812 74 HE2 LYS 8 2HE LYS 8 6.255 12.610 2.350 75 HE3 LYS 8 3HE LYS 8 6.898 11.391 1.250 76 HZ1 LYS 8 1HZ LYS 8 6.029 9.666 2.570 77 HZ2 LYS 8 2HZ LYS 8 4.780 10.798 2.430 78 HZ3 LYS 8 3HZ LYS 8 5.679 10.703 3.860 79 H ILE 9 H ILE 9 11.285 10.179 4.223 80 HA ILE 9 HA ILE 9 11.833 12.912 4.846 81 HB ILE 9 HB ILE 9 11.724 12.320 7.091 82 HG12 ILE 9 2HG1 ILE 9 11.894 9.690 7.585 83 HG13 ILE 9 3HG1 ILE 9 12.920 9.763 6.157 84 HG21 ILE 9 1HG2 ILE 9 9.764 11.475 5.436 85 HG22 ILE 9 2HG2 ILE 9 10.139 9.978 6.287 86 HG23 ILE 9 3HG2 ILE 9 9.666 11.413 7.195 87 HD11 ILE 9 1HD1 ILE 9 14.542 10.203 7.626 88 HD12 ILE 9 2HD1 ILE 9 13.881 11.839 7.618 89 HD13 ILE 9 3HD1 ILE 9 13.407 10.702 8.880 90 H THR 10 H THR 10 13.762 10.084 4.277 91 HA THR 10 HA THR 10 16.157 11.224 5.439 92 HB THR 10 HB THR 10 17.264 9.184 4.420 93 HG1 THR 10 HG1 THR 10 16.067 7.794 3.307 94 HG21 THR 10 1HG2 THR 10 14.929 8.732 6.284 95 HG22 THR 10 2HG2 THR 10 16.554 9.230 6.755 96 HG23 THR 10 3HG2 THR 10 16.289 7.633 6.058 97 H LYS 11 H LYS 11 17.442 12.597 4.415 98 HA LYS 11 HA LYS 11 17.181 12.932 1.527 99 HB2 LYS 11 2HB LYS 11 18.503 14.984 1.864 100 HB3 LYS 11 3HB LYS 11 17.071 14.948 2.885 101 HG2 LYS 11 2HG LYS 11 18.470 15.532 4.521 102 HG3 LYS 11 3HG LYS 11 18.939 13.830 4.521 103 HD2 LYS 11 2HD LYS 11 20.873 14.239 3.286 104 HD3 LYS 11 3HD LYS 11 20.280 15.793 2.694 105 HE2 LYS 11 2HE LYS 11 20.415 15.782 5.571 106 HE3 LYS 11 3HE LYS 11 21.971 15.330 4.876 107 HZ1 LYS 11 1HZ LYS 11 21.177 17.849 5.224 108 HZ2 LYS 11 2HZ LYS 11 20.658 17.598 3.634 109 HZ3 LYS 11 3HZ LYS 11 22.286 17.375 4.037 110 H LYS 12 H LYS 12 18.695 10.729 3.048 111 HA LYS 12 HA LYS 12 21.353 11.143 1.865 112 HB2 LYS 12 2HB LYS 12 20.992 8.747 3.504 113 HB3 LYS 12 3HB LYS 12 22.231 9.992 3.588 114 HG2 LYS 12 2HG LYS 12 20.452 11.444 4.702 115 HG3 LYS 12 3HG LYS 12 19.532 9.949 4.892 116 HD2 LYS 12 2HD LYS 12 20.685 10.059 6.892 117 HD3 LYS 12 3HD LYS 12 21.744 9.036 5.918 118 HE2 LYS 12 2HE LYS 12 22.995 11.144 5.302 119 HE3 LYS 12 3HE LYS 12 22.059 11.962 6.552 120 HZ1 LYS 12 1HZ LYS 12 23.518 11.242 8.032 121 HZ2 LYS 12 2HZ LYS 12 24.373 10.396 6.843 122 HZ3 LYS 12 3HZ LYS 12 23.109 9.639 7.675 123 H ASN 13 H ASN 13 19.351 8.262 2.490 124 HA ASN 13 HA ASN 13 20.365 6.797 0.323 125 HB2 ASN 13 2HB ASN 13 18.397 6.427 2.387 126 HB3 ASN 13 3HB ASN 13 17.754 5.855 0.850 127 HD21 ASN 13 1HD2 ASN 13 19.640 5.097 3.492 128 HD22 ASN 13 2HD2 ASN 13 20.411 3.681 2.870 129 H MET 14 H MET 14 18.063 9.318 0.442 130 HA MET 14 HA MET 14 16.403 8.693 -1.718 131 HB2 MET 14 2HB MET 14 16.105 10.579 -0.069 132 HB3 MET 14 3HB MET 14 17.333 11.465 -0.964 133 HG2 MET 14 2HG MET 14 15.724 12.254 -2.255 134 HG3 MET 14 3HG MET 14 15.502 10.623 -2.885 135 HE1 MET 14 1HE MET 14 12.823 9.751 -2.887 136 HE2 MET 14 2HE MET 14 14.068 8.914 -1.960 137 HE3 MET 14 3HE MET 14 12.488 9.222 -1.238 138 H ALA 15 H ALA 15 19.370 10.670 -1.674 139 HA ALA 15 HA ALA 15 19.447 10.891 -4.530 140 HB1 ALA 15 1HB ALA 15 21.088 12.401 -4.210 141 HB2 ALA 15 2HB ALA 15 20.517 12.360 -2.542 142 HB3 ALA 15 3HB ALA 15 21.921 11.404 -3.017 143 H HIS 16 H HIS 16 19.988 8.320 -2.595 144 HA HIS 16 HA HIS 16 22.224 7.276 -4.190 145 HB2 HIS 16 2HB HIS 16 21.491 7.039 -1.420 146 HB3 HIS 16 3HB HIS 16 21.545 5.439 -2.154 147 HD1 HIS 16 HD1 HIS 16 23.822 4.477 -2.688 148 HD2 HIS 16 HD2 HIS 16 23.981 8.447 -1.474 149 HE1 HIS 16 HE1 HIS 16 26.262 4.976 -2.343 150 H ILE 17 H ILE 17 18.853 7.048 -3.746 151 HA ILE 17 HA ILE 17 18.256 4.419 -4.347 152 HB ILE 17 HB ILE 17 16.119 5.164 -5.154 153 HG12 ILE 17 2HG1 ILE 17 17.544 7.782 -5.539 154 HG13 ILE 17 3HG1 ILE 17 16.571 6.875 -6.693 155 HG21 ILE 17 1HG2 ILE 17 16.823 5.461 -2.700 156 HG22 ILE 17 2HG2 ILE 17 16.843 7.185 -3.064 157 HG23 ILE 17 3HG2 ILE 17 15.351 6.263 -3.248 158 HD11 ILE 17 1HD1 ILE 17 15.600 8.466 -4.336 159 HD12 ILE 17 2HD1 ILE 17 15.346 8.804 -6.048 160 HD13 ILE 17 3HD1 ILE 17 14.573 7.407 -5.301 161 H ARG 18 H ARG 18 19.104 7.055 -6.539 162 HA ARG 18 HA ARG 18 18.628 5.586 -8.930 163 HB2 ARG 18 2HB ARG 18 19.980 8.161 -8.247 164 HB3 ARG 18 3HB ARG 18 20.259 7.453 -9.832 165 HG2 ARG 18 2HG ARG 18 17.798 7.410 -10.179 166 HG3 ARG 18 3HG ARG 18 17.618 8.280 -8.654 167 HD2 ARG 18 2HD ARG 18 19.552 9.663 -10.174 168 HD3 ARG 18 3HD ARG 18 18.207 9.303 -11.257 169 HE ARG 18 HE ARG 18 17.216 10.322 -8.826 170 HH11 ARG 18 1HH1 ARG 18 18.939 11.328 -11.678 171 HH12 ARG 18 2HH1 ARG 18 18.371 12.963 -11.604 172 HH21 ARG 18 1HH2 ARG 18 16.460 12.471 -8.717 173 HH22 ARG 18 2HH2 ARG 18 16.962 13.612 -9.918 Start of MODEL 16 1 H1 PHE 1 H PHE 1 5.572 1.309 -4.308 2 HA PHE 1 HA PHE 1 2.958 -0.039 -4.140 3 HB2 PHE 1 2HB PHE 1 5.652 -0.972 -4.949 4 HB3 PHE 1 3HB PHE 1 4.700 -2.093 -3.982 5 HD1 PHE 1 HD1 PHE 1 3.302 -3.548 -5.074 6 HD2 PHE 1 HD2 PHE 1 4.329 0.130 -6.954 7 HE1 PHE 1 HE1 PHE 1 2.067 -4.236 -7.088 8 HE2 PHE 1 HE2 PHE 1 3.096 -0.552 -8.970 9 HZ PHE 1 HZ PHE 1 1.961 -2.737 -9.039 10 H LEU 2 H LEU 2 5.812 0.919 -2.427 11 HA LEU 2 HA LEU 2 4.718 -0.293 0.026 12 HB2 LEU 2 2HB LEU 2 7.224 -0.040 0.764 13 HB3 LEU 2 3HB LEU 2 6.675 -1.445 -0.148 14 HG LEU 2 HG LEU 2 7.703 0.811 -1.751 15 HD11 LEU 2 1HD1 LEU 2 10.058 -0.264 -1.280 16 HD12 LEU 2 2HD1 LEU 2 9.335 -0.607 0.291 17 HD13 LEU 2 3HD1 LEU 2 9.439 1.056 -0.287 18 HD21 LEU 2 1HD2 LEU 2 7.202 -1.973 -2.018 19 HD22 LEU 2 2HD2 LEU 2 8.923 -1.693 -2.287 20 HD23 LEU 2 3HD2 LEU 2 7.726 -0.824 -3.249 21 HA PRO 3 HA PRO 3 4.571 3.677 1.890 22 HB2 PRO 3 2HB PRO 3 5.330 3.146 4.442 23 HB3 PRO 3 3HB PRO 3 3.767 2.651 3.782 24 HG2 PRO 3 2HG PRO 3 6.268 1.045 4.133 25 HG3 PRO 3 3HG PRO 3 4.588 0.587 4.469 26 HD2 PRO 3 2HD PRO 3 5.889 -0.190 2.225 27 HD3 PRO 3 3HD PRO 3 4.141 0.120 2.257 28 H LYS 4 H LYS 4 5.809 5.447 2.526 29 HA LYS 4 HA LYS 4 8.727 5.024 2.496 30 HB2 LYS 4 2HB LYS 4 8.475 7.619 1.750 31 HB3 LYS 4 3HB LYS 4 8.606 6.278 0.620 32 HG2 LYS 4 2HG LYS 4 6.373 6.336 0.077 33 HG3 LYS 4 3HG LYS 4 5.914 7.106 1.598 34 HD2 LYS 4 2HD LYS 4 5.712 8.668 -0.263 35 HD3 LYS 4 3HD LYS 4 6.972 9.189 0.858 36 HE2 LYS 4 2HE LYS 4 8.691 8.395 -0.603 37 HE3 LYS 4 3HE LYS 4 7.511 7.614 -1.654 38 HZ1 LYS 4 1HZ LYS 4 8.537 10.042 -2.092 39 HZ2 LYS 4 2HZ LYS 4 7.121 10.456 -1.266 40 HZ3 LYS 4 3HZ LYS 4 7.035 9.534 -2.682 41 H LEU 5 H LEU 5 7.113 4.961 4.846 42 HA LEU 5 HA LEU 5 6.787 7.218 6.317 43 HB2 LEU 5 2HB LEU 5 6.875 4.522 6.854 44 HB3 LEU 5 3HB LEU 5 8.183 5.164 7.846 45 HG LEU 5 HG LEU 5 5.437 6.362 7.961 46 HD11 LEU 5 1HD1 LEU 5 6.429 3.919 9.415 47 HD12 LEU 5 2HD1 LEU 5 5.021 4.048 8.362 48 HD13 LEU 5 3HD1 LEU 5 5.033 4.870 9.922 49 HD21 LEU 5 1HD2 LEU 5 6.206 7.479 9.755 50 HD22 LEU 5 2HD2 LEU 5 7.788 7.141 9.052 51 HD23 LEU 5 3HD2 LEU 5 7.154 6.109 10.334 52 H PHE 6 H PHE 6 9.837 5.600 5.610 53 HA PHE 6 HA PHE 6 11.246 7.917 6.763 54 HB2 PHE 6 2HB PHE 6 11.447 5.429 7.771 55 HB3 PHE 6 3HB PHE 6 12.700 5.341 6.537 56 HD1 PHE 6 HD1 PHE 6 14.822 6.135 6.992 57 HD2 PHE 6 HD2 PHE 6 11.551 7.447 9.379 58 HE1 PHE 6 HE1 PHE 6 16.388 7.290 8.498 59 HE2 PHE 6 HE2 PHE 6 13.112 8.605 10.888 60 HZ PHE 6 HZ PHE 6 15.534 8.528 10.448 61 H ALA 7 H ALA 7 10.535 6.195 3.992 62 HA ALA 7 HA ALA 7 13.001 6.457 2.584 63 HB1 ALA 7 1HB ALA 7 10.692 5.074 2.151 64 HB2 ALA 7 2HB ALA 7 10.571 6.365 0.955 65 HB3 ALA 7 3HB ALA 7 11.976 5.299 0.963 66 H LYS 8 H LYS 8 10.266 8.529 3.145 67 HA LYS 8 HA LYS 8 11.061 10.409 1.073 68 HB2 LYS 8 2HB LYS 8 9.100 11.713 1.842 69 HB3 LYS 8 3HB LYS 8 8.687 10.064 1.392 70 HG2 LYS 8 2HG LYS 8 7.825 9.678 3.392 71 HG3 LYS 8 3HG LYS 8 9.321 10.179 4.185 72 HD2 LYS 8 2HD LYS 8 7.770 11.678 5.036 73 HD3 LYS 8 3HD LYS 8 8.482 12.583 3.698 74 HE2 LYS 8 2HE LYS 8 6.219 10.965 2.863 75 HE3 LYS 8 3HE LYS 8 5.787 12.116 4.126 76 HZ1 LYS 8 1HZ LYS 8 6.711 13.893 2.783 77 HZ2 LYS 8 2HZ LYS 8 5.516 13.065 1.918 78 HZ3 LYS 8 3HZ LYS 8 7.150 12.793 1.575 79 H ILE 9 H ILE 9 11.192 10.055 4.555 80 HA ILE 9 HA ILE 9 12.016 12.737 5.090 81 HB ILE 9 HB ILE 9 12.250 12.117 7.319 82 HG12 ILE 9 2HG1 ILE 9 12.318 9.474 7.764 83 HG13 ILE 9 3HG1 ILE 9 13.092 9.501 6.183 84 HG21 ILE 9 1HG2 ILE 9 10.394 9.900 6.788 85 HG22 ILE 9 2HG2 ILE 9 10.181 11.353 7.763 86 HG23 ILE 9 3HG2 ILE 9 9.985 11.429 6.012 87 HD11 ILE 9 1HD1 ILE 9 14.091 10.374 8.789 88 HD12 ILE 9 2HD1 ILE 9 14.962 9.801 7.366 89 HD13 ILE 9 3HD1 ILE 9 14.432 11.481 7.459 90 H THR 10 H THR 10 13.633 9.799 4.194 91 HA THR 10 HA THR 10 16.259 10.766 4.941 92 HB THR 10 HB THR 10 17.043 8.674 3.746 93 HG1 THR 10 HG1 THR 10 15.606 7.639 2.603 94 HG21 THR 10 1HG2 THR 10 16.731 8.734 6.168 95 HG22 THR 10 2HG2 THR 10 16.256 7.165 5.517 96 HG23 THR 10 3HG2 THR 10 15.023 8.343 5.968 97 H LYS 11 H LYS 11 17.441 12.068 3.720 98 HA LYS 11 HA LYS 11 16.973 12.084 0.810 99 HB2 LYS 11 2HB LYS 11 17.812 14.490 0.947 100 HB3 LYS 11 3HB LYS 11 16.201 14.174 1.578 101 HG2 LYS 11 2HG LYS 11 18.503 14.070 3.456 102 HG3 LYS 11 3HG LYS 11 17.929 15.645 2.901 103 HD2 LYS 11 2HD LYS 11 15.583 14.694 3.549 104 HD3 LYS 11 3HD LYS 11 16.525 13.581 4.544 105 HE2 LYS 11 2HE LYS 11 17.189 15.212 5.977 106 HE3 LYS 11 3HE LYS 11 17.229 16.449 4.722 107 HZ1 LYS 11 1HZ LYS 11 15.215 15.949 6.605 108 HZ2 LYS 11 2HZ LYS 11 14.574 15.656 5.068 109 HZ3 LYS 11 3HZ LYS 11 15.269 17.157 5.422 110 H LYS 12 H LYS 12 18.967 10.727 2.747 111 HA LYS 12 HA LYS 12 21.497 11.791 1.790 112 HB2 LYS 12 2HB LYS 12 21.494 11.120 4.079 113 HB3 LYS 12 3HB LYS 12 20.780 9.560 3.690 114 HG2 LYS 12 2HG LYS 12 23.224 9.846 2.246 115 HG3 LYS 12 3HG LYS 12 23.506 10.217 3.949 116 HD2 LYS 12 2HD LYS 12 21.823 7.859 3.466 117 HD3 LYS 12 3HD LYS 12 23.485 7.710 2.890 118 HE2 LYS 12 2HE LYS 12 24.065 8.680 5.252 119 HE3 LYS 12 3HE LYS 12 22.459 8.084 5.668 120 HZ1 LYS 12 1HZ LYS 12 23.430 6.129 5.989 121 HZ2 LYS 12 2HZ LYS 12 24.881 6.629 5.278 122 HZ3 LYS 12 3HZ LYS 12 23.632 6.019 4.313 123 H ASN 13 H ASN 13 20.453 8.406 2.054 124 HA ASN 13 HA ASN 13 22.003 7.588 -0.169 125 HB2 ASN 13 2HB ASN 13 20.366 6.343 1.842 126 HB3 ASN 13 3HB ASN 13 19.973 5.670 0.262 127 HD21 ASN 13 1HD2 ASN 13 22.272 5.855 2.787 128 HD22 ASN 13 2HD2 ASN 13 23.436 4.771 2.112 129 H MET 14 H MET 14 18.903 8.999 0.093 130 HA MET 14 HA MET 14 17.584 7.923 -2.124 131 HB2 MET 14 2HB MET 14 16.601 9.429 -0.356 132 HB3 MET 14 3HB MET 14 17.373 10.781 -1.174 133 HG2 MET 14 2HG MET 14 15.564 10.965 -2.427 134 HG3 MET 14 3HG MET 14 15.986 9.423 -3.170 135 HE1 MET 14 1HE MET 14 12.847 8.160 -3.171 136 HE2 MET 14 2HE MET 14 12.344 9.812 -2.812 137 HE3 MET 14 3HE MET 14 13.743 9.520 -3.847 138 H ALA 15 H ALA 15 19.548 10.891 -1.912 139 HA ALA 15 HA ALA 15 19.489 11.315 -4.745 140 HB1 ALA 15 1HB ALA 15 20.891 13.199 -4.338 141 HB2 ALA 15 2HB ALA 15 19.699 13.133 -3.039 142 HB3 ALA 15 3HB ALA 15 21.351 12.587 -2.748 143 H HIS 16 H HIS 16 21.018 9.035 -2.982 144 HA HIS 16 HA HIS 16 23.459 9.054 -4.617 145 HB2 HIS 16 2HB HIS 16 22.919 8.365 -1.878 146 HB3 HIS 16 3HB HIS 16 23.580 6.966 -2.718 147 HD1 HIS 16 HD1 HIS 16 24.546 10.600 -3.217 148 HD2 HIS 16 HD2 HIS 16 26.168 7.018 -1.876 149 HE1 HIS 16 HE1 HIS 16 26.985 11.072 -2.827 150 H ILE 17 H ILE 17 20.450 7.502 -4.230 151 HA ILE 17 HA ILE 17 20.916 4.895 -5.014 152 HB ILE 17 HB ILE 17 18.645 4.800 -5.794 153 HG12 ILE 17 2HG1 ILE 17 18.930 7.786 -5.985 154 HG13 ILE 17 3HG1 ILE 17 18.371 6.651 -7.209 155 HG21 ILE 17 1HG2 ILE 17 17.539 5.383 -3.828 156 HG22 ILE 17 2HG2 ILE 17 19.214 5.182 -3.318 157 HG23 ILE 17 3HG2 ILE 17 18.556 6.799 -3.564 158 HD11 ILE 17 1HD1 ILE 17 16.502 7.904 -6.450 159 HD12 ILE 17 2HD1 ILE 17 16.345 6.268 -5.809 160 HD13 ILE 17 3HD1 ILE 17 16.894 7.577 -4.762 161 H ARG 18 H ARG 18 20.635 7.793 -7.013 162 HA ARG 18 HA ARG 18 20.841 6.339 -9.484 163 HB2 ARG 18 2HB ARG 18 20.901 8.530 -10.542 164 HB3 ARG 18 3HB ARG 18 19.619 8.471 -9.341 165 HG2 ARG 18 2HG ARG 18 20.540 10.087 -8.100 166 HG3 ARG 18 3HG ARG 18 22.174 9.455 -8.314 167 HD2 ARG 18 2HD ARG 18 20.783 10.782 -10.600 168 HD3 ARG 18 3HD ARG 18 21.514 11.766 -9.333 169 HE ARG 18 HE ARG 18 22.874 10.334 -11.391 170 HH11 ARG 18 1HH1 ARG 18 23.137 11.447 -8.103 171 HH12 ARG 18 2HH1 ARG 18 24.869 11.500 -8.122 172 HH21 ARG 18 1HH2 ARG 18 25.154 10.399 -11.428 173 HH22 ARG 18 2HH2 ARG 18 26.015 10.905 -10.014 Start of MODEL 17 1 H1 PHE 1 H PHE 1 4.951 -3.878 -3.750 2 HA PHE 1 HA PHE 1 6.438 -1.383 -4.159 3 HB2 PHE 1 2HB PHE 1 3.819 -1.861 -5.113 4 HB3 PHE 1 3HB PHE 1 3.662 -0.785 -3.728 5 HD1 PHE 1 HD1 PHE 1 3.477 1.410 -4.332 6 HD2 PHE 1 HD2 PHE 1 6.074 -1.120 -6.561 7 HE1 PHE 1 HE1 PHE 1 4.122 3.321 -5.742 8 HE2 PHE 1 HE2 PHE 1 6.724 0.786 -7.974 9 HZ PHE 1 HZ PHE 1 5.749 3.011 -7.565 10 H LEU 2 H LEU 2 6.602 -0.063 -2.371 11 HA LEU 2 HA LEU 2 5.222 -0.881 0.078 12 HB2 LEU 2 2HB LEU 2 7.540 -0.395 1.205 13 HB3 LEU 2 3HB LEU 2 7.151 -1.990 0.564 14 HG LEU 2 HG LEU 2 8.531 -0.131 -1.278 15 HD11 LEU 2 1HD1 LEU 2 9.682 -1.047 1.302 16 HD12 LEU 2 2HD1 LEU 2 9.977 0.433 0.390 17 HD13 LEU 2 3HD1 LEU 2 10.709 -1.084 -0.132 18 HD21 LEU 2 1HD2 LEU 2 9.491 -2.865 -0.763 19 HD22 LEU 2 2HD2 LEU 2 9.173 -2.039 -2.288 20 HD23 LEU 2 3HD2 LEU 2 7.840 -2.740 -1.370 21 HA PRO 3 HA PRO 3 4.799 3.413 0.876 22 HB2 PRO 3 2HB PRO 3 5.036 3.525 3.578 23 HB3 PRO 3 3HB PRO 3 3.620 2.847 2.765 24 HG2 PRO 3 2HG PRO 3 5.971 1.436 3.967 25 HG3 PRO 3 3HG PRO 3 4.248 1.028 4.070 26 HD2 PRO 3 2HD PRO 3 5.944 -0.227 2.372 27 HD3 PRO 3 3HD PRO 3 4.230 0.036 1.990 28 H LYS 4 H LYS 4 5.856 5.336 1.783 29 HA LYS 4 HA LYS 4 8.772 4.979 2.020 30 HB2 LYS 4 2HB LYS 4 8.535 7.549 1.192 31 HB3 LYS 4 3HB LYS 4 8.792 6.187 0.110 32 HG2 LYS 4 2HG LYS 4 6.616 6.184 -0.628 33 HG3 LYS 4 3HG LYS 4 6.008 6.975 0.828 34 HD2 LYS 4 2HD LYS 4 5.938 8.493 -1.078 35 HD3 LYS 4 3HD LYS 4 7.085 9.065 0.137 36 HE2 LYS 4 2HE LYS 4 8.763 8.990 -1.322 37 HE3 LYS 4 3HE LYS 4 8.388 7.321 -1.747 38 HZ1 LYS 4 1HZ LYS 4 6.471 9.028 -2.900 39 HZ2 LYS 4 2HZ LYS 4 7.577 8.008 -3.673 40 HZ3 LYS 4 3HZ LYS 4 8.013 9.598 -3.298 41 H LEU 5 H LEU 5 6.958 4.932 4.219 42 HA LEU 5 HA LEU 5 6.456 7.214 5.600 43 HB2 LEU 5 2HB LEU 5 7.051 4.453 6.304 44 HB3 LEU 5 3HB LEU 5 7.509 5.592 7.568 45 HG LEU 5 HG LEU 5 4.773 5.770 6.396 46 HD11 LEU 5 1HD1 LEU 5 3.921 3.960 7.472 47 HD12 LEU 5 2HD1 LEU 5 5.167 3.971 8.719 48 HD13 LEU 5 3HD1 LEU 5 5.530 3.331 7.116 49 HD21 LEU 5 1HD2 LEU 5 4.537 7.222 8.054 50 HD22 LEU 5 2HD2 LEU 5 6.213 6.948 8.531 51 HD23 LEU 5 3HD2 LEU 5 4.925 5.965 9.230 52 H PHE 6 H PHE 6 9.589 5.648 5.206 53 HA PHE 6 HA PHE 6 10.843 8.021 6.422 54 HB2 PHE 6 2HB PHE 6 11.004 5.562 7.504 55 HB3 PHE 6 3HB PHE 6 12.363 5.474 6.387 56 HD1 PHE 6 HD1 PHE 6 14.420 6.325 7.009 57 HD2 PHE 6 HD2 PHE 6 10.924 7.617 9.065 58 HE1 PHE 6 HE1 PHE 6 15.823 7.548 8.619 59 HE2 PHE 6 HE2 PHE 6 12.321 8.842 10.678 60 HZ PHE 6 HZ PHE 6 14.774 8.809 10.455 61 H ALA 7 H ALA 7 10.415 6.223 3.641 62 HA ALA 7 HA ALA 7 12.991 6.510 2.450 63 HB1 ALA 7 1HB ALA 7 10.716 6.328 0.617 64 HB2 ALA 7 2HB ALA 7 12.138 5.295 0.772 65 HB3 ALA 7 3HB ALA 7 10.759 5.065 1.847 66 H LYS 8 H LYS 8 10.175 8.532 2.717 67 HA LYS 8 HA LYS 8 11.112 10.383 0.680 68 HB2 LYS 8 2HB LYS 8 9.064 11.659 1.242 69 HB3 LYS 8 3HB LYS 8 8.727 9.992 0.796 70 HG2 LYS 8 2HG LYS 8 7.700 9.630 2.722 71 HG3 LYS 8 3HG LYS 8 9.108 10.183 3.631 72 HD2 LYS 8 2HD LYS 8 8.247 12.246 3.960 73 HD3 LYS 8 3HD LYS 8 7.495 12.300 2.364 74 HE2 LYS 8 2HE LYS 8 5.848 12.281 4.206 75 HE3 LYS 8 3HE LYS 8 5.684 10.899 3.123 76 HZ1 LYS 8 1HZ LYS 8 5.939 10.821 5.853 77 HZ2 LYS 8 2HZ LYS 8 7.451 10.327 5.279 78 HZ3 LYS 8 3HZ LYS 8 6.054 9.507 4.793 79 H ILE 9 H ILE 9 10.942 10.108 4.168 80 HA ILE 9 HA ILE 9 11.661 12.820 4.708 81 HB ILE 9 HB ILE 9 11.708 12.255 6.963 82 HG12 ILE 9 2HG1 ILE 9 11.791 9.624 7.476 83 HG13 ILE 9 3HG1 ILE 9 12.702 9.634 5.970 84 HG21 ILE 9 1HG2 ILE 9 9.623 11.455 7.241 85 HG22 ILE 9 2HG2 ILE 9 9.584 11.488 5.479 86 HG23 ILE 9 3HG2 ILE 9 9.953 9.985 6.324 87 HD11 ILE 9 1HD1 ILE 9 13.882 11.670 7.312 88 HD12 ILE 9 2HD1 ILE 9 13.448 10.584 8.632 89 HD13 ILE 9 3HD1 ILE 9 14.453 10.002 7.305 90 H THR 10 H THR 10 13.410 9.899 4.029 91 HA THR 10 HA THR 10 15.939 10.940 4.982 92 HB THR 10 HB THR 10 16.868 8.841 3.910 93 HG1 THR 10 HG1 THR 10 15.392 8.206 2.440 94 HG21 THR 10 1HG2 THR 10 16.341 8.947 6.294 95 HG22 THR 10 2HG2 THR 10 15.958 7.354 5.641 96 HG23 THR 10 3HG2 THR 10 14.667 8.513 5.953 97 H LYS 11 H LYS 11 17.199 12.241 3.839 98 HA LYS 11 HA LYS 11 16.984 12.188 0.900 99 HB2 LYS 11 2HB LYS 11 17.820 14.617 1.102 100 HB3 LYS 11 3HB LYS 11 16.138 14.285 1.496 101 HG2 LYS 11 2HG LYS 11 16.949 15.752 3.156 102 HG3 LYS 11 3HG LYS 11 16.837 14.158 3.907 103 HD2 LYS 11 2HD LYS 11 19.155 13.853 3.877 104 HD3 LYS 11 3HD LYS 11 19.397 15.122 2.674 105 HE2 LYS 11 2HE LYS 11 19.927 16.436 4.401 106 HE3 LYS 11 3HE LYS 11 18.198 16.467 4.747 107 HZ1 LYS 11 1HZ LYS 11 19.161 15.836 6.744 108 HZ2 LYS 11 2HZ LYS 11 20.300 14.824 6.010 109 HZ3 LYS 11 3HZ LYS 11 18.675 14.357 6.082 110 H LYS 12 H LYS 12 18.823 10.894 3.019 111 HA LYS 12 HA LYS 12 21.411 11.981 2.266 112 HB2 LYS 12 2HB LYS 12 21.221 11.343 4.556 113 HB3 LYS 12 3HB LYS 12 20.565 9.767 4.132 114 HG2 LYS 12 2HG LYS 12 23.119 10.069 2.899 115 HG3 LYS 12 3HG LYS 12 23.249 10.467 4.614 116 HD2 LYS 12 2HD LYS 12 21.645 8.078 4.023 117 HD3 LYS 12 3HD LYS 12 23.352 7.947 3.594 118 HE2 LYS 12 2HE LYS 12 23.281 7.196 5.798 119 HE3 LYS 12 3HE LYS 12 23.803 8.873 5.948 120 HZ1 LYS 12 1HZ LYS 12 20.933 8.358 6.060 121 HZ2 LYS 12 2HZ LYS 12 21.863 9.489 6.907 122 HZ3 LYS 12 3HZ LYS 12 21.850 7.869 7.395 123 H ASN 13 H ASN 13 20.395 8.585 2.492 124 HA ASN 13 HA ASN 13 22.145 7.745 0.440 125 HB2 ASN 13 2HB ASN 13 20.311 6.523 2.288 126 HB3 ASN 13 3HB ASN 13 20.080 5.832 0.685 127 HD21 ASN 13 1HD2 ASN 13 21.844 4.810 -0.339 128 HD22 ASN 13 2HD2 ASN 13 23.172 4.197 0.580 129 H MET 14 H MET 14 19.036 9.158 0.368 130 HA MET 14 HA MET 14 17.949 8.055 -1.959 131 HB2 MET 14 2HB MET 14 16.792 9.582 -0.317 132 HB3 MET 14 3HB MET 14 17.644 10.924 -1.068 133 HG2 MET 14 2HG MET 14 15.973 11.093 -2.502 134 HG3 MET 14 3HG MET 14 16.466 9.543 -3.179 135 HE1 MET 14 1HE MET 14 12.510 9.538 -2.887 136 HE2 MET 14 2HE MET 14 13.741 10.616 -3.547 137 HE3 MET 14 3HE MET 14 13.774 8.896 -3.937 138 H ALA 15 H ALA 15 19.883 11.026 -1.582 139 HA ALA 15 HA ALA 15 20.114 11.417 -4.412 140 HB1 ALA 15 1HB ALA 15 20.155 13.369 -3.078 141 HB2 ALA 15 2HB ALA 15 21.439 12.728 -2.051 142 HB3 ALA 15 3HB ALA 15 21.787 13.177 -3.721 143 H HIS 16 H HIS 16 21.453 9.158 -2.475 144 HA HIS 16 HA HIS 16 24.048 9.159 -3.853 145 HB2 HIS 16 2HB HIS 16 23.231 8.502 -1.176 146 HB3 HIS 16 3HB HIS 16 23.974 7.093 -1.927 147 HD1 HIS 16 HD1 HIS 16 24.981 9.511 0.250 148 HD2 HIS 16 HD2 HIS 16 26.470 8.372 -3.458 149 HE1 HIS 16 HE1 HIS 16 27.370 10.296 0.215 150 H ILE 17 H ILE 17 21.014 7.610 -3.756 151 HA ILE 17 HA ILE 17 21.555 4.994 -4.458 152 HB ILE 17 HB ILE 17 19.375 4.890 -5.465 153 HG12 ILE 17 2HG1 ILE 17 19.682 7.873 -5.660 154 HG13 ILE 17 3HG1 ILE 17 19.248 6.724 -6.921 155 HG21 ILE 17 1HG2 ILE 17 19.061 6.915 -3.278 156 HG22 ILE 17 2HG2 ILE 17 18.075 5.497 -3.629 157 HG23 ILE 17 3HG2 ILE 17 19.689 5.301 -2.947 158 HD11 ILE 17 1HD1 ILE 17 17.530 7.677 -4.648 159 HD12 ILE 17 2HD1 ILE 17 17.312 7.984 -6.371 160 HD13 ILE 17 3HD1 ILE 17 17.090 6.356 -5.730 161 H ARG 18 H ARG 18 21.482 7.869 -6.509 162 HA ARG 18 HA ARG 18 22.080 6.309 -8.885 163 HB2 ARG 18 2HB ARG 18 20.603 8.478 -8.672 164 HB3 ARG 18 3HB ARG 18 22.151 9.298 -8.825 165 HG2 ARG 18 2HG ARG 18 22.274 8.893 -11.013 166 HG3 ARG 18 3HG ARG 18 21.758 7.216 -10.822 167 HD2 ARG 18 2HD ARG 18 20.205 8.631 -12.172 168 HD3 ARG 18 3HD ARG 18 19.459 7.851 -10.777 169 HE ARG 18 HE ARG 18 20.379 10.482 -10.171 170 HH11 ARG 18 1HH1 ARG 18 17.794 8.689 -11.661 171 HH12 ARG 18 2HH1 ARG 18 16.609 9.924 -11.394 172 HH21 ARG 18 1HH2 ARG 18 18.828 12.115 -9.813 173 HH22 ARG 18 2HH2 ARG 18 17.198 11.873 -10.343 Start of MODEL 18 1 H1 PHE 1 H PHE 1 2.209 4.574 -2.635 2 HA PHE 1 HA PHE 1 1.974 2.727 -4.038 3 HB2 PHE 1 2HB PHE 1 4.198 4.104 -5.315 4 HB3 PHE 1 3HB PHE 1 4.410 2.356 -5.331 5 HD1 PHE 1 HD1 PHE 1 2.335 0.980 -6.112 6 HD2 PHE 1 HD2 PHE 1 2.951 5.102 -6.972 7 HE1 PHE 1 HE1 PHE 1 0.793 0.808 -8.022 8 HE2 PHE 1 HE2 PHE 1 1.409 4.938 -8.882 9 HZ PHE 1 HZ PHE 1 0.327 2.789 -9.409 10 H LEU 2 H LEU 2 5.259 3.292 -2.789 11 HA LEU 2 HA LEU 2 5.150 0.615 -1.561 12 HB2 LEU 2 2HB LEU 2 7.310 2.071 -2.970 13 HB3 LEU 2 3HB LEU 2 7.776 1.107 -1.571 14 HG LEU 2 HG LEU 2 6.312 -0.709 -2.911 15 HD11 LEU 2 1HD1 LEU 2 5.908 0.912 -4.753 16 HD12 LEU 2 2HD1 LEU 2 6.712 -0.570 -5.267 17 HD13 LEU 2 3HD1 LEU 2 7.642 0.915 -5.072 18 HD21 LEU 2 1HD2 LEU 2 8.384 -1.424 -2.269 19 HD22 LEU 2 2HD2 LEU 2 9.199 0.004 -2.908 20 HD23 LEU 2 3HD2 LEU 2 8.648 -1.264 -4.005 21 HA PRO 3 HA PRO 3 5.709 2.370 2.421 22 HB2 PRO 3 2HB PRO 3 7.409 0.615 3.604 23 HB3 PRO 3 3HB PRO 3 5.718 0.231 3.260 24 HG2 PRO 3 2HG PRO 3 8.178 -0.503 1.720 25 HG3 PRO 3 3HG PRO 3 6.767 -1.501 2.117 26 HD2 PRO 3 2HD PRO 3 7.099 -0.350 -0.311 27 HD3 PRO 3 3HD PRO 3 5.499 -0.612 0.411 28 H LYS 4 H LYS 4 6.757 4.297 2.355 29 HA LYS 4 HA LYS 4 9.694 4.263 2.166 30 HB2 LYS 4 2HB LYS 4 9.185 6.850 1.861 31 HB3 LYS 4 3HB LYS 4 9.104 5.728 0.509 32 HG2 LYS 4 2HG LYS 4 6.659 5.536 0.883 33 HG3 LYS 4 3HG LYS 4 6.794 6.783 2.125 34 HD2 LYS 4 2HD LYS 4 8.108 7.707 -0.226 35 HD3 LYS 4 3HD LYS 4 6.512 7.104 -0.680 36 HE2 LYS 4 2HE LYS 4 5.423 8.719 0.483 37 HE3 LYS 4 3HE LYS 4 6.652 8.791 1.745 38 HZ1 LYS 4 1HZ LYS 4 6.647 10.111 -0.896 39 HZ2 LYS 4 2HZ LYS 4 8.090 9.867 -0.050 40 HZ3 LYS 4 3HZ LYS 4 6.858 10.803 0.633 41 H LEU 5 H LEU 5 8.494 3.535 4.584 42 HA LEU 5 HA LEU 5 7.964 5.406 6.484 43 HB2 LEU 5 2HB LEU 5 9.157 2.737 6.475 44 HB3 LEU 5 3HB LEU 5 9.624 3.718 7.863 45 HG LEU 5 HG LEU 5 7.670 2.227 8.261 46 HD11 LEU 5 1HD1 LEU 5 6.626 3.733 9.647 47 HD12 LEU 5 2HD1 LEU 5 6.708 5.042 8.469 48 HD13 LEU 5 3HD1 LEU 5 8.158 4.553 9.345 49 HD21 LEU 5 1HD2 LEU 5 6.006 4.106 6.647 50 HD22 LEU 5 2HD2 LEU 5 5.659 2.457 7.166 51 HD23 LEU 5 3HD2 LEU 5 6.801 2.747 5.853 52 H PHE 6 H PHE 6 11.120 4.580 5.160 53 HA PHE 6 HA PHE 6 12.248 6.887 6.604 54 HB2 PHE 6 2HB PHE 6 13.020 4.367 7.097 55 HB3 PHE 6 3HB PHE 6 14.068 4.708 5.724 56 HD1 PHE 6 HD1 PHE 6 16.071 5.821 6.045 57 HD2 PHE 6 HD2 PHE 6 13.046 6.070 9.029 58 HE1 PHE 6 HE1 PHE 6 17.641 6.994 7.534 59 HE2 PHE 6 HE2 PHE 6 14.610 7.244 10.522 60 HZ PHE 6 HZ PHE 6 16.910 7.708 9.775 61 H ALA 7 H ALA 7 11.479 5.566 3.634 62 HA ALA 7 HA ALA 7 13.642 6.558 2.062 63 HB1 ALA 7 1HB ALA 7 11.112 6.294 0.651 64 HB2 ALA 7 2HB ALA 7 12.645 5.461 0.395 65 HB3 ALA 7 3HB ALA 7 11.514 4.871 1.613 66 H LYS 8 H LYS 8 10.652 7.896 3.255 67 HA LYS 8 HA LYS 8 10.820 10.231 1.538 68 HB2 LYS 8 2HB LYS 8 8.781 10.961 2.737 69 HB3 LYS 8 3HB LYS 8 8.614 9.360 2.027 70 HG2 LYS 8 2HG LYS 8 8.118 8.483 3.996 71 HG3 LYS 8 3HG LYS 8 9.596 9.133 4.709 72 HD2 LYS 8 2HD LYS 8 7.842 10.063 5.971 73 HD3 LYS 8 3HD LYS 8 8.351 11.349 4.873 74 HE2 LYS 8 2HE LYS 8 6.503 10.731 3.354 75 HE3 LYS 8 3HE LYS 8 5.977 9.521 4.522 76 HZ1 LYS 8 1HZ LYS 8 6.156 12.433 5.071 77 HZ2 LYS 8 2HZ LYS 8 5.555 11.250 6.119 78 HZ3 LYS 8 3HZ LYS 8 4.729 11.610 4.687 79 H ILE 9 H ILE 9 11.498 9.316 4.849 80 HA ILE 9 HA ILE 9 11.891 11.977 5.812 81 HB ILE 9 HB ILE 9 12.527 11.044 7.840 82 HG12 ILE 9 2HG1 ILE 9 13.162 8.440 7.751 83 HG13 ILE 9 3HG1 ILE 9 13.697 8.904 6.140 84 HG21 ILE 9 1HG2 ILE 9 10.731 9.774 8.331 85 HG22 ILE 9 2HG2 ILE 9 10.278 10.135 6.666 86 HG23 ILE 9 3HG2 ILE 9 11.073 8.609 7.052 87 HD11 ILE 9 1HD1 ILE 9 15.615 9.398 7.168 88 HD12 ILE 9 2HD1 ILE 9 14.784 10.874 7.658 89 HD13 ILE 9 3HD1 ILE 9 14.855 9.496 8.756 90 H THR 10 H THR 10 13.866 9.633 4.186 91 HA THR 10 HA THR 10 16.354 10.964 4.837 92 HB THR 10 HB THR 10 17.319 9.317 3.162 93 HG1 THR 10 HG1 THR 10 15.994 7.780 2.332 94 HG21 THR 10 1HG2 THR 10 15.755 8.205 5.496 95 HG22 THR 10 2HG2 THR 10 17.373 8.901 5.569 96 HG23 THR 10 3HG2 THR 10 17.097 7.402 4.683 97 H LYS 11 H LYS 11 17.084 12.684 3.791 98 HA LYS 11 HA LYS 11 16.250 13.093 0.994 99 HB2 LYS 11 2HB LYS 11 16.555 15.562 1.500 100 HB3 LYS 11 3HB LYS 11 15.164 14.784 2.244 101 HG2 LYS 11 2HG LYS 11 17.702 14.934 3.787 102 HG3 LYS 11 3HG LYS 11 16.725 16.394 3.609 103 HD2 LYS 11 2HD LYS 11 14.771 14.803 4.332 104 HD3 LYS 11 3HD LYS 11 16.083 13.832 5.002 105 HE2 LYS 11 2HE LYS 11 16.596 15.379 6.595 106 HE3 LYS 11 3HE LYS 11 16.093 16.739 5.592 107 HZ1 LYS 11 1HZ LYS 11 13.792 15.337 6.062 108 HZ2 LYS 11 2HZ LYS 11 14.259 16.775 6.819 109 HZ3 LYS 11 3HZ LYS 11 14.605 15.287 7.545 110 H LYS 12 H LYS 12 18.695 11.881 2.403 111 HA LYS 12 HA LYS 12 20.714 13.500 0.992 112 HB2 LYS 12 2HB LYS 12 22.212 12.086 2.743 113 HB3 LYS 12 3HB LYS 12 21.591 13.699 3.068 114 HG2 LYS 12 2HG LYS 12 19.949 12.928 4.488 115 HG3 LYS 12 3HG LYS 12 19.945 11.313 3.776 116 HD2 LYS 12 2HD LYS 12 21.638 10.594 5.086 117 HD3 LYS 12 3HD LYS 12 22.484 12.142 5.019 118 HE2 LYS 12 2HE LYS 12 20.734 13.047 6.577 119 HE3 LYS 12 3HE LYS 12 20.138 11.397 6.758 120 HZ1 LYS 12 1HZ LYS 12 22.610 10.921 7.347 121 HZ2 LYS 12 2HZ LYS 12 21.572 11.565 8.517 122 HZ3 LYS 12 3HZ LYS 12 22.658 12.574 7.702 123 H ASN 13 H ASN 13 20.840 10.254 2.420 124 HA ASN 13 HA ASN 13 22.388 9.084 0.465 125 HB2 ASN 13 2HB ASN 13 20.872 8.200 2.725 126 HB3 ASN 13 3HB ASN 13 20.585 7.091 1.387 127 HD21 ASN 13 1HD2 ASN 13 22.532 6.276 0.274 128 HD22 ASN 13 2HD2 ASN 13 23.933 5.947 1.229 129 H MET 14 H MET 14 18.974 9.755 0.439 130 HA MET 14 HA MET 14 18.148 8.012 -1.588 131 HB2 MET 14 2HB MET 14 16.671 9.408 -0.098 132 HB3 MET 14 3HB MET 14 17.071 10.791 -1.107 133 HG2 MET 14 2HG MET 14 15.355 10.253 -2.391 134 HG3 MET 14 3HG MET 14 16.253 8.822 -2.890 135 HE1 MET 14 1HE MET 14 14.435 6.052 -2.049 136 HE2 MET 14 2HE MET 14 16.014 6.758 -2.392 137 HE3 MET 14 3HE MET 14 15.624 6.221 -0.757 138 H ALA 15 H ALA 15 19.162 11.421 -1.830 139 HA ALA 15 HA ALA 15 19.147 11.383 -4.695 140 HB1 ALA 15 1HB ALA 15 20.715 13.506 -3.457 141 HB2 ALA 15 2HB ALA 15 19.315 13.604 -4.525 142 HB3 ALA 15 3HB ALA 15 19.087 13.360 -2.794 143 H HIS 16 H HIS 16 21.160 9.934 -2.576 144 HA HIS 16 HA HIS 16 23.583 10.418 -4.164 145 HB2 HIS 16 2HB HIS 16 23.106 10.013 -1.358 146 HB3 HIS 16 3HB HIS 16 24.185 8.758 -1.959 147 HD1 HIS 16 HD1 HIS 16 23.953 12.541 -2.392 148 HD2 HIS 16 HD2 HIS 16 26.750 9.541 -1.727 149 HE1 HIS 16 HE1 HIS 16 26.169 13.716 -2.209 150 H ILE 17 H ILE 17 21.124 8.134 -3.575 151 HA ILE 17 HA ILE 17 22.357 5.689 -3.934 152 HB ILE 17 HB ILE 17 20.254 4.826 -4.717 153 HG12 ILE 17 2HG1 ILE 17 19.689 7.705 -5.370 154 HG13 ILE 17 3HG1 ILE 17 19.545 6.290 -6.407 155 HG21 ILE 17 1HG2 ILE 17 18.915 5.348 -2.881 156 HG22 ILE 17 2HG2 ILE 17 20.549 5.709 -2.325 157 HG23 ILE 17 3HG2 ILE 17 19.479 7.018 -2.826 158 HD11 ILE 17 1HD1 ILE 17 17.635 5.546 -4.990 159 HD12 ILE 17 2HD1 ILE 17 17.730 7.096 -4.153 160 HD13 ILE 17 3HD1 ILE 17 17.357 7.046 -5.876 161 H ARG 18 H ARG 18 21.376 8.055 -6.366 162 HA ARG 18 HA ARG 18 23.130 6.732 -8.291 163 HB2 ARG 18 2HB ARG 18 20.817 5.872 -8.665 164 HB3 ARG 18 3HB ARG 18 20.296 7.523 -8.975 165 HG2 ARG 18 2HG ARG 18 21.353 7.625 -11.005 166 HG3 ARG 18 3HG ARG 18 22.552 6.408 -10.562 167 HD2 ARG 18 2HD ARG 18 19.632 5.886 -11.108 168 HD3 ARG 18 3HD ARG 18 20.958 5.564 -12.225 169 HE ARG 18 HE ARG 18 21.552 4.213 -9.885 170 HH11 ARG 18 1HH1 ARG 18 19.048 4.182 -12.302 171 HH12 ARG 18 2HH1 ARG 18 18.696 2.497 -12.103 172 HH21 ARG 18 1HH2 ARG 18 21.098 1.995 -9.613 173 HH22 ARG 18 2HH2 ARG 18 19.862 1.254 -10.573 Start of MODEL 19 1 H1 PHE 1 H PHE 1 3.642 4.311 -3.000 2 HA PHE 1 HA PHE 1 1.560 2.706 -3.415 3 HB2 PHE 1 2HB PHE 1 3.353 2.522 -5.735 4 HB3 PHE 1 3HB PHE 1 2.912 0.965 -5.043 5 HD1 PHE 1 HD1 PHE 1 1.341 -0.001 -6.417 6 HD2 PHE 1 HD2 PHE 1 0.983 4.127 -5.445 7 HE1 PHE 1 HE1 PHE 1 -0.816 0.086 -7.597 8 HE2 PHE 1 HE2 PHE 1 -1.175 4.221 -6.623 9 HZ PHE 1 HZ PHE 1 -2.078 2.199 -7.700 10 H LEU 2 H LEU 2 5.079 2.596 -3.295 11 HA LEU 2 HA LEU 2 5.018 0.215 -1.614 12 HB2 LEU 2 2HB LEU 2 7.068 1.677 -3.159 13 HB3 LEU 2 3HB LEU 2 7.618 0.886 -1.683 14 HG LEU 2 HG LEU 2 6.295 -1.158 -2.800 15 HD11 LEU 2 1HD1 LEU 2 6.783 0.780 -4.959 16 HD12 LEU 2 2HD1 LEU 2 5.609 -0.531 -4.849 17 HD13 LEU 2 3HD1 LEU 2 7.280 -0.879 -5.293 18 HD21 LEU 2 1HD2 LEU 2 8.503 -1.873 -3.719 19 HD22 LEU 2 2HD2 LEU 2 8.557 -1.312 -2.047 20 HD23 LEU 2 3HD2 LEU 2 9.119 -0.262 -3.349 21 HA PRO 3 HA PRO 3 5.500 2.243 2.246 22 HB2 PRO 3 2HB PRO 3 7.303 0.663 3.520 23 HB3 PRO 3 3HB PRO 3 5.634 0.165 3.216 24 HG2 PRO 3 2HG PRO 3 8.122 -0.526 1.702 25 HG3 PRO 3 3HG PRO 3 6.772 -1.575 2.174 26 HD2 PRO 3 2HD PRO 3 7.025 -0.562 -0.324 27 HD3 PRO 3 3HD PRO 3 5.446 -0.865 0.427 28 H LYS 4 H LYS 4 6.470 4.154 2.466 29 HA LYS 4 HA LYS 4 9.390 4.301 2.081 30 HB2 LYS 4 2HB LYS 4 8.622 6.878 1.794 31 HB3 LYS 4 3HB LYS 4 8.803 5.757 0.451 32 HG2 LYS 4 2HG LYS 4 6.540 5.512 0.168 33 HG3 LYS 4 3HG LYS 4 6.176 5.929 1.844 34 HD2 LYS 4 2HD LYS 4 5.468 7.709 0.343 35 HD3 LYS 4 3HD LYS 4 6.781 8.263 1.384 36 HE2 LYS 4 2HE LYS 4 8.318 8.276 -0.346 37 HE3 LYS 4 3HE LYS 4 7.390 7.133 -1.315 38 HZ1 LYS 4 1HZ LYS 4 5.668 9.044 -1.364 39 HZ2 LYS 4 2HZ LYS 4 7.007 9.107 -2.394 40 HZ3 LYS 4 3HZ LYS 4 6.989 10.026 -0.974 41 H LEU 5 H LEU 5 8.045 3.617 4.533 42 HA LEU 5 HA LEU 5 7.558 5.545 6.372 43 HB2 LEU 5 2HB LEU 5 8.169 2.847 6.448 44 HB3 LEU 5 3HB LEU 5 9.408 3.588 7.459 45 HG LEU 5 HG LEU 5 6.479 4.119 7.880 46 HD11 LEU 5 1HD1 LEU 5 7.083 2.398 9.852 47 HD12 LEU 5 2HD1 LEU 5 8.062 1.725 8.549 48 HD13 LEU 5 3HD1 LEU 5 6.322 1.918 8.335 49 HD21 LEU 5 1HD2 LEU 5 9.014 4.602 9.383 50 HD22 LEU 5 2HD2 LEU 5 7.500 4.395 10.264 51 HD23 LEU 5 3HD2 LEU 5 7.661 5.692 9.079 52 H PHE 6 H PHE 6 10.719 4.592 5.142 53 HA PHE 6 HA PHE 6 11.875 6.926 6.520 54 HB2 PHE 6 2HB PHE 6 12.569 4.387 7.100 55 HB3 PHE 6 3HB PHE 6 13.681 4.697 5.771 56 HD1 PHE 6 HD1 PHE 6 15.684 5.781 6.171 57 HD2 PHE 6 HD2 PHE 6 12.523 6.130 9.001 58 HE1 PHE 6 HE1 PHE 6 17.198 6.959 7.712 59 HE2 PHE 6 HE2 PHE 6 14.032 7.310 10.545 60 HZ PHE 6 HZ PHE 6 16.372 7.727 9.902 61 H ALA 7 H ALA 7 11.108 5.546 3.590 62 HA ALA 7 HA ALA 7 13.337 6.385 2.021 63 HB1 ALA 7 1HB ALA 7 11.252 4.721 1.573 64 HB2 ALA 7 2HB ALA 7 10.737 6.148 0.671 65 HB3 ALA 7 3HB ALA 7 12.284 5.384 0.305 66 H LYS 8 H LYS 8 10.400 7.898 3.128 67 HA LYS 8 HA LYS 8 10.710 10.170 1.342 68 HB2 LYS 8 2HB LYS 8 8.688 11.031 2.544 69 HB3 LYS 8 3HB LYS 8 8.453 9.479 1.752 70 HG2 LYS 8 2HG LYS 8 7.919 8.490 3.665 71 HG3 LYS 8 3HG LYS 8 9.337 9.148 4.484 72 HD2 LYS 8 2HD LYS 8 6.751 10.629 4.008 73 HD3 LYS 8 3HD LYS 8 7.229 9.874 5.530 74 HE2 LYS 8 2HE LYS 8 8.122 11.854 6.051 75 HE3 LYS 8 3HE LYS 8 9.401 11.441 4.909 76 HZ1 LYS 8 1HZ LYS 8 7.122 12.540 3.595 77 HZ2 LYS 8 2HZ LYS 8 8.739 13.033 3.533 78 HZ3 LYS 8 3HZ LYS 8 7.728 13.601 4.764 79 H ILE 9 H ILE 9 11.208 9.341 4.716 80 HA ILE 9 HA ILE 9 11.707 11.996 5.614 81 HB ILE 9 HB ILE 9 12.288 11.085 7.677 82 HG12 ILE 9 2HG1 ILE 9 12.769 8.443 7.648 83 HG13 ILE 9 3HG1 ILE 9 13.354 8.847 6.037 84 HG21 ILE 9 1HG2 ILE 9 10.712 8.713 6.958 85 HG22 ILE 9 2HG2 ILE 9 10.403 9.962 8.164 86 HG23 ILE 9 3HG2 ILE 9 10.008 10.255 6.471 87 HD11 ILE 9 1HD1 ILE 9 14.578 10.763 7.444 88 HD12 ILE 9 2HD1 ILE 9 14.463 9.511 8.681 89 HD13 ILE 9 3HD1 ILE 9 15.278 9.171 7.154 90 H THR 10 H THR 10 13.633 9.541 4.096 91 HA THR 10 HA THR 10 16.152 10.801 4.770 92 HB THR 10 HB THR 10 17.101 9.077 3.173 93 HG1 THR 10 HG1 THR 10 15.437 7.303 2.878 94 HG21 THR 10 1HG2 THR 10 17.070 8.705 5.582 95 HG22 THR 10 2HG2 THR 10 16.739 7.200 4.724 96 HG23 THR 10 3HG2 THR 10 15.420 8.092 5.482 97 H LYS 11 H LYS 11 16.963 12.468 3.699 98 HA LYS 11 HA LYS 11 16.214 12.827 0.871 99 HB2 LYS 11 2HB LYS 11 16.742 15.327 1.450 100 HB3 LYS 11 3HB LYS 11 15.171 14.641 1.846 101 HG2 LYS 11 2HG LYS 11 15.846 15.875 3.732 102 HG3 LYS 11 3HG LYS 11 16.087 14.177 4.149 103 HD2 LYS 11 2HD LYS 11 17.996 15.440 4.891 104 HD3 LYS 11 3HD LYS 11 18.481 14.421 3.534 105 HE2 LYS 11 2HE LYS 11 17.612 16.835 2.408 106 HE3 LYS 11 3HE LYS 11 18.589 17.284 3.805 107 HZ1 LYS 11 1HZ LYS 11 19.379 15.943 1.338 108 HZ2 LYS 11 2HZ LYS 11 20.154 15.446 2.757 109 HZ3 LYS 11 3HZ LYS 11 20.225 17.067 2.277 110 H LYS 12 H LYS 12 18.599 11.638 2.464 111 HA LYS 12 HA LYS 12 20.691 13.110 0.998 112 HB2 LYS 12 2HB LYS 12 22.107 11.803 2.895 113 HB3 LYS 12 3HB LYS 12 21.510 13.447 3.080 114 HG2 LYS 12 2HG LYS 12 19.810 12.814 4.501 115 HG3 LYS 12 3HG LYS 12 19.796 11.150 3.912 116 HD2 LYS 12 2HD LYS 12 21.468 10.506 5.299 117 HD3 LYS 12 3HD LYS 12 22.299 12.060 5.191 118 HE2 LYS 12 2HE LYS 12 19.935 12.653 6.503 119 HE3 LYS 12 3HE LYS 12 20.406 11.090 7.169 120 HZ1 LYS 12 1HZ LYS 12 21.720 13.682 7.401 121 HZ2 LYS 12 2HZ LYS 12 22.729 12.330 7.272 122 HZ3 LYS 12 3HZ LYS 12 21.599 12.425 8.527 123 H ASN 13 H ASN 13 20.703 9.977 2.664 124 HA ASN 13 HA ASN 13 22.293 8.631 0.868 125 HB2 ASN 13 2HB ASN 13 20.603 7.936 3.090 126 HB3 ASN 13 3HB ASN 13 20.433 6.729 1.819 127 HD21 ASN 13 1HD2 ASN 13 21.873 7.030 4.552 128 HD22 ASN 13 2HD2 ASN 13 23.422 6.331 4.242 129 H MET 14 H MET 14 18.888 9.350 0.652 130 HA MET 14 HA MET 14 18.136 7.499 -1.310 131 HB2 MET 14 2HB MET 14 16.605 8.976 0.042 132 HB3 MET 14 3HB MET 14 17.053 10.303 -1.021 133 HG2 MET 14 2HG MET 14 15.386 9.703 -2.340 134 HG3 MET 14 3HG MET 14 16.302 8.251 -2.735 135 HE1 MET 14 1HE MET 14 14.966 6.423 -3.064 136 HE2 MET 14 2HE MET 14 15.692 5.750 -1.604 137 HE3 MET 14 3HE MET 14 13.953 5.614 -1.869 138 H ALA 15 H ALA 15 19.175 10.889 -1.688 139 HA ALA 15 HA ALA 15 19.279 10.701 -4.545 140 HB1 ALA 15 1HB ALA 15 18.795 12.814 -3.391 141 HB2 ALA 15 2HB ALA 15 20.431 12.816 -2.729 142 HB3 ALA 15 3HB ALA 15 20.184 12.951 -4.470 143 H HIS 16 H HIS 16 21.194 9.356 -2.272 144 HA HIS 16 HA HIS 16 23.684 9.749 -3.781 145 HB2 HIS 16 2HB HIS 16 23.088 9.488 -0.981 146 HB3 HIS 16 3HB HIS 16 24.184 8.199 -1.472 147 HD1 HIS 16 HD1 HIS 16 23.975 11.915 -1.104 148 HD2 HIS 16 HD2 HIS 16 26.759 9.025 -2.179 149 HE1 HIS 16 HE1 HIS 16 26.193 13.100 -1.142 150 H ILE 17 H ILE 17 21.189 7.507 -3.180 151 HA ILE 17 HA ILE 17 22.421 5.042 -3.364 152 HB ILE 17 HB ILE 17 20.347 4.149 -4.188 153 HG12 ILE 17 2HG1 ILE 17 19.826 6.993 -5.009 154 HG13 ILE 17 3HG1 ILE 17 19.715 5.527 -5.977 155 HG21 ILE 17 1HG2 ILE 17 18.936 4.770 -2.438 156 HG22 ILE 17 2HG2 ILE 17 20.548 5.148 -1.834 157 HG23 ILE 17 3HG2 ILE 17 19.510 6.437 -2.443 158 HD11 ILE 17 1HD1 ILE 17 17.745 4.865 -4.604 159 HD12 ILE 17 2HD1 ILE 17 17.816 6.455 -3.843 160 HD13 ILE 17 3HD1 ILE 17 17.513 6.319 -5.575 161 H ARG 18 H ARG 18 21.554 7.286 -5.951 162 HA ARG 18 HA ARG 18 22.448 5.482 -8.021 163 HB2 ARG 18 2HB ARG 18 20.574 7.085 -8.362 164 HB3 ARG 18 3HB ARG 18 21.722 8.409 -8.219 165 HG2 ARG 18 2HG ARG 18 22.846 6.806 -10.156 166 HG3 ARG 18 3HG ARG 18 21.115 6.706 -10.487 167 HD2 ARG 18 2HD ARG 18 22.346 9.368 -9.947 168 HD3 ARG 18 3HD ARG 18 22.575 8.621 -11.527 169 HE ARG 18 HE ARG 18 20.174 9.803 -10.511 170 HH11 ARG 18 1HH1 ARG 18 21.449 7.400 -12.684 171 HH12 ARG 18 2HH1 ARG 18 20.061 7.413 -13.721 172 HH21 ARG 18 1HH2 ARG 18 18.342 9.830 -11.869 173 HH22 ARG 18 2HH2 ARG 18 18.295 8.796 -13.257 Start of MODEL 20 1 H1 PHE 1 H PHE 1 1.124 -0.275 -0.588 2 HA PHE 1 HA PHE 1 2.845 -0.814 -1.989 3 HB2 PHE 1 2HB PHE 1 2.590 0.103 -4.309 4 HB3 PHE 1 3HB PHE 1 1.122 -0.614 -3.653 5 HD1 PHE 1 HD1 PHE 1 -0.845 0.652 -3.393 6 HD2 PHE 1 HD2 PHE 1 2.817 2.586 -4.373 7 HE1 PHE 1 HE1 PHE 1 -2.073 2.731 -3.863 8 HE2 PHE 1 HE2 PHE 1 1.596 4.669 -4.844 9 HZ PHE 1 HZ PHE 1 -0.853 4.744 -4.588 10 H LEU 2 H LEU 2 4.893 -0.210 -2.733 11 HA LEU 2 HA LEU 2 6.836 0.971 -2.676 12 HB2 LEU 2 2HB LEU 2 4.811 3.001 -3.494 13 HB3 LEU 2 3HB LEU 2 6.457 3.525 -3.145 14 HG LEU 2 HG LEU 2 6.116 3.196 -5.535 15 HD11 LEU 2 1HD1 LEU 2 7.828 0.909 -5.179 16 HD12 LEU 2 2HD1 LEU 2 8.187 2.155 -3.985 17 HD13 LEU 2 3HD1 LEU 2 8.230 2.544 -5.704 18 HD21 LEU 2 1HD2 LEU 2 5.630 1.036 -6.475 19 HD22 LEU 2 2HD2 LEU 2 4.356 1.462 -5.332 20 HD23 LEU 2 3HD2 LEU 2 5.602 0.300 -4.872 21 HA PRO 3 HA PRO 3 6.010 2.272 1.709 22 HB2 PRO 3 2HB PRO 3 7.862 0.613 2.799 23 HB3 PRO 3 3HB PRO 3 6.198 0.113 2.472 24 HG2 PRO 3 2HG PRO 3 8.674 -0.378 0.863 25 HG3 PRO 3 3HG PRO 3 7.352 -1.494 1.250 26 HD2 PRO 3 2HD PRO 3 7.546 -0.239 -1.142 27 HD3 PRO 3 3HD PRO 3 5.985 -0.646 -0.401 28 H LYS 4 H LYS 4 6.923 4.226 1.924 29 HA LYS 4 HA LYS 4 9.853 4.423 1.662 30 HB2 LYS 4 2HB LYS 4 9.040 6.997 1.406 31 HB3 LYS 4 3HB LYS 4 9.326 5.915 0.049 32 HG2 LYS 4 2HG LYS 4 7.085 5.605 -0.353 33 HG3 LYS 4 3HG LYS 4 6.623 6.000 1.304 34 HD2 LYS 4 2HD LYS 4 5.957 7.775 -0.229 35 HD3 LYS 4 3HD LYS 4 7.190 8.349 0.896 36 HE2 LYS 4 2HE LYS 4 8.883 8.222 -0.767 37 HE3 LYS 4 3HE LYS 4 7.826 7.337 -1.867 38 HZ1 LYS 4 1HZ LYS 4 7.223 9.270 -2.726 39 HZ2 LYS 4 2HZ LYS 4 8.148 10.122 -1.595 40 HZ3 LYS 4 3HZ LYS 4 6.543 9.720 -1.243 41 H LEU 5 H LEU 5 8.495 3.645 4.046 42 HA LEU 5 HA LEU 5 7.871 5.515 5.911 43 HB2 LEU 5 2HB LEU 5 8.718 2.827 5.929 44 HB3 LEU 5 3HB LEU 5 9.695 3.674 7.127 45 HG LEU 5 HG LEU 5 6.876 4.325 7.367 46 HD11 LEU 5 1HD1 LEU 5 6.203 2.120 8.258 47 HD12 LEU 5 2HD1 LEU 5 7.699 1.436 7.621 48 HD13 LEU 5 3HD1 LEU 5 6.495 2.104 6.519 49 HD21 LEU 5 1HD2 LEU 5 8.467 2.885 9.430 50 HD22 LEU 5 2HD2 LEU 5 7.335 4.227 9.606 51 HD23 LEU 5 3HD2 LEU 5 8.956 4.516 8.970 52 H PHE 6 H PHE 6 11.100 4.694 4.763 53 HA PHE 6 HA PHE 6 12.135 7.025 6.239 54 HB2 PHE 6 2HB PHE 6 12.899 4.501 6.771 55 HB3 PHE 6 3HB PHE 6 14.027 4.871 5.471 56 HD1 PHE 6 HD1 PHE 6 15.992 5.996 5.936 57 HD2 PHE 6 HD2 PHE 6 12.767 6.204 8.706 58 HE1 PHE 6 HE1 PHE 6 17.443 7.181 7.532 59 HE2 PHE 6 HE2 PHE 6 14.212 7.390 10.305 60 HZ PHE 6 HZ PHE 6 16.553 7.881 9.719 61 H ALA 7 H ALA 7 11.525 5.678 3.244 62 HA ALA 7 HA ALA 7 13.759 6.672 1.775 63 HB1 ALA 7 1HB ALA 7 12.837 5.617 0.028 64 HB2 ALA 7 2HB ALA 7 11.732 4.936 1.223 65 HB3 ALA 7 3HB ALA 7 11.257 6.356 0.291 66 H LYS 8 H LYS 8 10.734 8.015 2.845 67 HA LYS 8 HA LYS 8 10.966 10.336 1.109 68 HB2 LYS 8 2HB LYS 8 8.867 11.063 2.207 69 HB3 LYS 8 3HB LYS 8 8.741 9.463 1.490 70 HG2 LYS 8 2HG LYS 8 8.154 8.581 3.432 71 HG3 LYS 8 3HG LYS 8 9.589 9.243 4.219 72 HD2 LYS 8 2HD LYS 8 8.462 11.002 5.079 73 HD3 LYS 8 3HD LYS 8 7.442 11.180 3.650 74 HE2 LYS 8 2HE LYS 8 5.813 9.894 4.508 75 HE3 LYS 8 3HE LYS 8 6.954 8.733 5.187 76 HZ1 LYS 8 1HZ LYS 8 7.226 11.067 6.655 77 HZ2 LYS 8 2HZ LYS 8 6.538 9.607 7.163 78 HZ3 LYS 8 3HZ LYS 8 5.561 10.814 6.491 79 H ILE 9 H ILE 9 11.477 9.442 4.457 80 HA ILE 9 HA ILE 9 11.814 12.111 5.420 81 HB ILE 9 HB ILE 9 12.356 11.192 7.486 82 HG12 ILE 9 2HG1 ILE 9 12.976 8.583 7.444 83 HG13 ILE 9 3HG1 ILE 9 13.588 9.031 5.856 84 HG21 ILE 9 1HG2 ILE 9 10.161 10.279 6.200 85 HG22 ILE 9 2HG2 ILE 9 10.927 8.759 6.657 86 HG23 ILE 9 3HG2 ILE 9 10.523 9.949 7.894 87 HD11 ILE 9 1HD1 ILE 9 14.627 9.639 8.519 88 HD12 ILE 9 2HD1 ILE 9 15.460 9.520 6.969 89 HD13 ILE 9 3HD1 ILE 9 14.618 11.006 7.406 90 H THR 10 H THR 10 13.876 9.756 3.921 91 HA THR 10 HA THR 10 16.326 11.093 4.691 92 HB THR 10 HB THR 10 17.380 9.442 3.081 93 HG1 THR 10 HG1 THR 10 16.121 8.050 2.041 94 HG21 THR 10 1HG2 THR 10 17.298 9.020 5.483 95 HG22 THR 10 2HG2 THR 10 17.057 7.522 4.584 96 HG23 THR 10 3HG2 THR 10 15.680 8.340 5.321 97 H LYS 11 H LYS 11 17.118 12.804 3.676 98 HA LYS 11 HA LYS 11 16.416 13.214 0.843 99 HB2 LYS 11 2HB LYS 11 16.732 15.683 1.367 100 HB3 LYS 11 3HB LYS 11 15.292 14.921 2.029 101 HG2 LYS 11 2HG LYS 11 17.740 15.032 3.713 102 HG3 LYS 11 3HG LYS 11 16.796 16.506 3.485 103 HD2 LYS 11 2HD LYS 11 14.779 14.956 4.094 104 HD3 LYS 11 3HD LYS 11 16.031 13.944 4.820 105 HE2 LYS 11 2HE LYS 11 16.808 16.046 6.024 106 HE3 LYS 11 3HE LYS 11 15.292 16.779 5.501 107 HZ1 LYS 11 1HZ LYS 11 14.052 15.269 6.762 108 HZ2 LYS 11 2HZ LYS 11 15.322 15.722 7.781 109 HZ3 LYS 11 3HZ LYS 11 15.363 14.226 6.993 110 H LYS 12 H LYS 12 18.789 11.993 2.380 111 HA LYS 12 HA LYS 12 20.878 13.575 1.030 112 HB2 LYS 12 2HB LYS 12 21.838 11.831 3.161 113 HB3 LYS 12 3HB LYS 12 22.172 13.532 2.866 114 HG2 LYS 12 2HG LYS 12 21.128 13.593 4.913 115 HG3 LYS 12 3HG LYS 12 19.784 13.902 3.811 116 HD2 LYS 12 2HD LYS 12 18.759 11.970 4.332 117 HD3 LYS 12 3HD LYS 12 20.273 11.062 4.355 118 HE2 LYS 12 2HE LYS 12 19.878 12.991 6.554 119 HE3 LYS 12 3HE LYS 12 18.807 11.592 6.552 120 HZ1 LYS 12 1HZ LYS 12 20.447 10.307 7.267 121 HZ2 LYS 12 2HZ LYS 12 21.395 11.691 7.481 122 HZ3 LYS 12 3HZ LYS 12 21.489 10.818 6.035 123 H ASN 13 H ASN 13 20.738 10.332 2.495 124 HA ASN 13 HA ASN 13 22.438 9.097 0.687 125 HB2 ASN 13 2HB ASN 13 20.592 8.256 2.771 126 HB3 ASN 13 3HB ASN 13 20.651 7.098 1.445 127 HD21 ASN 13 1HD2 ASN 13 22.444 8.654 3.978 128 HD22 ASN 13 2HD2 ASN 13 23.804 7.588 3.948 129 H MET 14 H MET 14 19.112 9.973 0.345 130 HA MET 14 HA MET 14 18.300 8.194 -1.654 131 HB2 MET 14 2HB MET 14 16.842 9.807 -0.377 132 HB3 MET 14 3HB MET 14 17.453 11.083 -1.421 133 HG2 MET 14 2HG MET 14 15.813 10.620 -2.827 134 HG3 MET 14 3HG MET 14 16.601 9.079 -3.154 135 HE1 MET 14 1HE MET 14 13.778 9.523 -3.725 136 HE2 MET 14 2HE MET 14 14.030 7.778 -3.676 137 HE3 MET 14 3HE MET 14 12.685 8.501 -2.791 138 H ALA 15 H ALA 15 19.648 11.478 -1.990 139 HA ALA 15 HA ALA 15 19.867 11.261 -4.839 140 HB1 ALA 15 1HB ALA 15 21.252 13.397 -4.522 141 HB2 ALA 15 2HB ALA 15 19.545 13.443 -4.079 142 HB3 ALA 15 3HB ALA 15 20.777 13.289 -2.826 143 H HIS 16 H HIS 16 21.553 9.778 -2.471 144 HA HIS 16 HA HIS 16 24.135 9.945 -3.864 145 HB2 HIS 16 2HB HIS 16 23.391 9.767 -1.092 146 HB3 HIS 16 3HB HIS 16 24.396 8.386 -1.523 147 HD1 HIS 16 HD1 HIS 16 26.855 8.785 -1.643 148 HD2 HIS 16 HD2 HIS 16 24.680 12.325 -1.663 149 HE1 HIS 16 HE1 HIS 16 28.562 10.624 -1.473 150 H ILE 17 H ILE 17 21.434 7.929 -3.364 151 HA ILE 17 HA ILE 17 22.459 5.367 -3.471 152 HB ILE 17 HB ILE 17 20.359 4.642 -4.388 153 HG12 ILE 17 2HG1 ILE 17 20.120 7.511 -5.253 154 HG13 ILE 17 3HG1 ILE 17 19.934 6.049 -6.216 155 HG21 ILE 17 1HG2 ILE 17 20.534 5.656 -2.034 156 HG22 ILE 17 2HG2 ILE 17 19.633 7.013 -2.706 157 HG23 ILE 17 3HG2 ILE 17 18.927 5.397 -2.711 158 HD11 ILE 17 1HD1 ILE 17 17.850 5.569 -4.938 159 HD12 ILE 17 2HD1 ILE 17 18.017 7.155 -4.184 160 HD13 ILE 17 3HD1 ILE 17 17.789 7.026 -5.928 161 H ARG 18 H ARG 18 21.911 7.645 -6.113 162 HA ARG 18 HA ARG 18 22.951 5.720 -8.047 163 HB2 ARG 18 2HB ARG 18 21.070 7.834 -8.170 164 HB3 ARG 18 3HB ARG 18 22.420 8.289 -9.200 165 HG2 ARG 18 2HG ARG 18 20.757 7.130 -10.496 166 HG3 ARG 18 3HG ARG 18 22.214 6.142 -10.382 167 HD2 ARG 18 2HD ARG 18 20.453 5.555 -8.194 168 HD3 ARG 18 3HD ARG 18 19.581 5.418 -9.720 169 HE ARG 18 HE ARG 18 21.560 3.638 -8.727 170 HH11 ARG 18 1HH1 ARG 18 20.319 5.048 -11.658 171 HH12 ARG 18 2HH1 ARG 18 20.821 3.728 -12.661 172 HH21 ARG 18 1HH2 ARG 18 22.226 1.893 -10.037 173 HH22 ARG 18 2HH2 ARG 18 21.905 1.933 -11.737
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