data_nef_c25510_2n00 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2N00 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 GLU middle . . 3 A 3 SER middle . . 4 A 4 GLU middle . . 5 A 5 TYR middle . . 6 A 6 ARG middle . . 7 A 7 GLU middle . . 8 A 8 MET middle . . 9 A 9 LEU middle . . 10 A 10 LEU middle . . 11 A 11 LEU middle . . 12 A 12 THR middle . . 13 A 13 GLY middle . false 14 A 14 LEU middle . . 15 A 15 ASP middle . . 16 A 16 HIS middle . . 17 A 17 ILE middle . . 18 A 18 THR middle . . 19 A 19 GLU middle . . 20 A 20 GLU middle . . 21 A 21 GLU middle . . 22 A 22 LEU middle . . 23 A 23 LYS middle . . 24 A 24 ARG middle . . 25 A 25 PHE middle . . 26 A 26 LYS middle . . 27 A 27 TYR middle . . 28 A 28 PHE middle . . 29 A 29 ALA middle . . 30 A 30 LEU middle . . 31 A 31 THR middle . . 32 A 32 GLU middle . . 33 A 33 PHE middle . . 34 A 34 GLN middle . . 35 A 35 ILE middle . . 36 A 36 ALA middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 THR middle . . 40 A 40 LEU middle . . 41 A 41 ASP middle . . 42 A 42 VAL middle . . 43 A 43 ALA middle . . 44 A 44 ASP middle . . 45 A 45 ARG middle . . 46 A 46 THR middle . . 47 A 47 GLU middle . . 48 A 48 LEU middle . . 49 A 49 ALA middle . . 50 A 50 ASP middle . . 51 A 51 HIS middle . . 52 A 52 LEU middle . . 53 A 53 ILE middle . . 54 A 54 GLN middle . . 55 A 55 SER middle . . 56 A 56 ALA middle . . 57 A 57 GLY middle . false 58 A 58 ALA middle . . 59 A 59 ALA middle . . 60 A 60 SER middle . . 61 A 61 ALA middle . . 62 A 62 VAL middle . . 63 A 63 THR middle . . 64 A 64 LYS middle . . 65 A 65 ALA middle . . 66 A 66 ILE middle . . 67 A 67 ASN middle . . 68 A 68 ILE middle . . 69 A 69 PHE middle . . 70 A 70 GLN middle . . 71 A 71 LYS middle . . 72 A 72 LEU middle . . 73 A 73 ASN middle . . 74 A 74 TYR middle . . 75 A 75 MET middle . . 76 A 76 HIS middle . . 77 A 77 ILE middle . . 78 A 78 ALA middle . . 79 A 79 ASN middle . . 80 A 80 ALA middle . . 81 A 81 LEU middle . . 82 A 82 GLU middle . . 83 A 83 GLU middle . . 84 A 84 LYS middle . . 85 A 85 LYS middle . . 86 A 86 LYS middle . . 87 A 87 GLU middle . . 88 A 88 ALA middle . . 89 A 89 GLU middle . . 90 A 90 ARG middle . . 91 A 91 LYS middle . . 92 A 92 LEU middle . . 93 A 93 MET middle . . 94 A 94 THR middle . . 95 A 95 ASN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET H1 H 1 8.388 0.005 A 1 MET HA H 1 4.327 0.018 A 1 MET HBy H 1 2.106 0.017 A 1 MET HE% H 1 3.069 0.021 A 1 MET HGx H 1 2.544 0.017 A 1 MET HGy H 1 2.597 0.033 A 1 MET C C 13 174.443 0.000 A 1 MET CA C 13 57.539 0.084 A 1 MET CB C 13 32.299 0.097 A 1 MET CG C 13 32.200 0.087 A 1 MET N N 15 120.661 0.082 A 2 GLU H H 1 8.426 0.009 A 2 GLU HA H 1 4.020 0.016 A 2 GLU HB2 H 1 2.255 0.013 A 2 GLU HB3 H 1 2.129 0.021 A 2 GLU HGx H 1 2.436 0.019 A 2 GLU C C 13 178.535 0.000 A 2 GLU CA C 13 60.749 0.077 A 2 GLU CB C 13 29.107 0.113 A 2 GLU CG C 13 36.452 0.060 A 2 GLU N N 15 119.768 0.031 A 3 SER H H 1 8.151 0.006 A 3 SER HA H 1 4.235 0.031 A 3 SER HBx H 1 3.706 0.000 A 3 SER HBy H 1 3.976 0.012 A 3 SER C C 13 176.578 0.000 A 3 SER CA C 13 61.448 0.124 A 3 SER CB C 13 62.746 0.060 A 3 SER N N 15 113.553 0.071 A 4 GLU H H 1 8.051 0.026 A 4 GLU HA H 1 4.077 0.009 A 4 GLU HBy H 1 2.019 0.003 A 4 GLU HBx H 1 1.833 0.015 A 4 GLU HGx H 1 2.413 0.030 A 4 GLU CA C 13 59.416 0.043 A 4 GLU CB C 13 28.261 0.106 A 4 GLU CG C 13 34.818 0.097 A 4 GLU N N 15 122.599 0.065 A 5 TYR H H 1 8.339 0.019 A 5 TYR HA H 1 4.472 0.022 A 5 TYR HB2 H 1 3.000 0.013 A 5 TYR HD1 H 1 7.241 0.022 A 5 TYR HD2 H 1 7.241 0.022 A 5 TYR HE1 H 1 6.801 0.033 A 5 TYR HE2 H 1 6.801 0.033 A 5 TYR CA C 13 60.913 0.127 A 5 TYR CB C 13 37.953 0.036 A 5 TYR CD1 C 13 132.514 0.037 A 5 TYR CD2 C 13 132.514 0.037 A 5 TYR CE1 C 13 117.703 0.094 A 5 TYR CE2 C 13 117.703 0.094 A 5 TYR N N 15 119.991 0.050 A 6 ARG H H 1 8.202 0.028 A 6 ARG HA H 1 3.759 0.015 A 6 ARG HBx H 1 1.883 0.043 A 6 ARG HBy H 1 2.008 0.014 A 6 ARG HDy H 1 3.166 0.036 A 6 ARG HGx H 1 1.402 0.008 A 6 ARG HGy H 1 1.567 0.014 A 6 ARG C C 13 177.365 0.000 A 6 ARG CA C 13 60.661 0.046 A 6 ARG CB C 13 30.338 0.063 A 6 ARG CD C 13 43.468 0.021 A 6 ARG CG C 13 27.849 0.070 A 6 ARG N N 15 120.010 0.146 A 7 GLU H H 1 8.165 0.007 A 7 GLU HA H 1 4.050 0.030 A 7 GLU HB3 H 1 2.148 0.019 A 7 GLU HGx H 1 2.478 0.039 A 7 GLU C C 13 178.544 0.000 A 7 GLU CA C 13 59.414 0.097 A 7 GLU CB C 13 29.023 0.149 A 7 GLU CG C 13 35.464 0.016 A 7 GLU N N 15 116.287 0.097 A 8 MET H H 1 8.168 0.024 A 8 MET HA H 1 4.411 0.031 A 8 MET HBy H 1 2.319 0.035 A 8 MET HBx H 1 1.941 0.033 A 8 MET HE% H 1 1.306 0.024 A 8 MET HGx H 1 3.364 0.026 A 8 MET C C 13 177.616 0.000 A 8 MET CA C 13 59.067 0.146 A 8 MET CB C 13 32.089 0.154 A 8 MET CG C 13 30.442 0.045 A 8 MET N N 15 116.181 0.104 A 9 LEU H H 1 7.883 0.007 A 9 LEU HA H 1 3.981 0.040 A 9 LEU HBx H 1 1.756 0.026 A 9 LEU HBy H 1 2.067 0.043 A 9 LEU HDx% H 1 0.938 0.017 A 9 LEU HDy% H 1 0.901 0.046 A 9 LEU HG H 1 1.618 0.044 A 9 LEU C C 13 177.211 0.000 A 9 LEU CA C 13 58.501 0.100 A 9 LEU CB C 13 42.298 0.053 A 9 LEU CD1 C 13 25.015 0.000 A 9 LEU CD2 C 13 20.676 0.132 A 9 LEU CG C 13 27.629 0.005 A 9 LEU N N 15 122.056 0.090 A 10 LEU H H 1 8.011 0.008 A 10 LEU HA H 1 3.954 0.007 A 10 LEU HBy H 1 1.714 0.011 A 10 LEU HBx H 1 1.487 0.022 A 10 LEU HDx% H 1 0.817 0.042 A 10 LEU C C 13 176.132 0.000 A 10 LEU CA C 13 58.392 0.074 A 10 LEU CB C 13 43.732 0.027 A 10 LEU CD1 C 13 24.418 0.147 A 10 LEU CG C 13 27.156 0.034 A 10 LEU N N 15 117.952 0.106 A 11 LEU H H 1 8.916 0.019 A 11 LEU HA H 1 4.150 0.007 A 11 LEU HB2 H 1 1.475 0.010 A 11 LEU HB3 H 1 1.813 0.015 A 11 LEU HD1% H 1 0.874 0.019 A 11 LEU HG H 1 1.989 0.027 A 11 LEU C C 13 179.384 0.000 A 11 LEU CA C 13 57.940 0.102 A 11 LEU CB C 13 41.667 0.082 A 11 LEU CD2 C 13 22.717 0.000 A 11 LEU CG C 13 27.585 0.000 A 11 LEU N N 15 116.301 0.080 A 12 THR H H 1 7.753 0.006 A 12 THR HA H 1 4.148 0.005 A 12 THR HB H 1 4.359 0.010 A 12 THR HG2% H 1 1.039 0.011 A 12 THR C C 13 174.055 0.000 A 12 THR CA C 13 65.127 0.051 A 12 THR CB C 13 68.421 0.124 A 12 THR CG2 C 13 22.529 0.061 A 12 THR N N 15 112.429 0.076 A 13 GLY H H 1 7.019 0.010 A 13 GLY HA2 H 1 3.504 0.005 A 13 GLY HA3 H 1 4.074 0.009 A 13 GLY C C 13 173.259 0.000 A 13 GLY CA C 13 46.434 0.076 A 13 GLY N N 15 124.320 0.052 A 14 LEU H H 1 8.941 0.012 A 14 LEU HA H 1 3.916 0.015 A 14 LEU HB2 H 1 1.660 0.019 A 14 LEU HB3 H 1 1.991 0.026 A 14 LEU HD1% H 1 0.870 0.028 A 14 LEU HD2% H 1 0.132 0.004 A 14 LEU HG H 1 1.163 0.034 A 14 LEU C C 13 178.842 0.000 A 14 LEU CA C 13 58.050 0.092 A 14 LEU CB C 13 41.826 0.168 A 14 LEU CG C 13 26.986 0.060 A 14 LEU N N 15 121.922 0.065 A 15 ASP H H 1 9.012 0.006 A 15 ASP HA H 1 4.499 0.016 A 15 ASP HBy H 1 2.832 0.024 A 15 ASP HBx H 1 2.693 0.010 A 15 ASP C C 13 175.905 0.000 A 15 ASP CA C 13 54.805 0.055 A 15 ASP CB C 13 37.826 0.078 A 15 ASP N N 15 115.417 0.050 A 16 HIS H H 1 7.807 0.020 A 16 HIS HA H 1 4.734 0.030 A 16 HIS HBx H 1 2.835 0.005 A 16 HIS HBy H 1 3.532 0.005 A 16 HIS CA C 13 55.572 0.035 A 16 HIS CB C 13 29.222 0.053 A 16 HIS N N 15 114.840 0.053 A 17 ILE H H 1 7.041 0.006 A 17 ILE HA H 1 4.961 0.006 A 17 ILE HB H 1 2.328 0.019 A 17 ILE HD1% H 1 0.759 0.021 A 17 ILE HG13 H 1 1.505 0.027 A 17 ILE HG2% H 1 0.769 0.010 A 17 ILE C C 13 176.154 0.000 A 17 ILE CA C 13 59.512 0.068 A 17 ILE CB C 13 39.674 0.032 A 17 ILE CD1 C 13 13.790 0.050 A 17 ILE CG1 C 13 24.497 0.078 A 17 ILE CG2 C 13 18.041 0.064 A 17 ILE N N 15 111.347 0.056 A 18 THR H H 1 8.672 0.016 A 18 THR HA H 1 4.384 0.010 A 18 THR HB H 1 4.848 0.006 A 18 THR HG2% H 1 1.348 0.006 A 18 THR C C 13 174.991 0.000 A 18 THR CA C 13 61.063 0.066 A 18 THR CB C 13 71.227 0.028 A 18 THR CG2 C 13 21.709 0.055 A 18 THR N N 15 114.804 0.062 A 19 GLU H H 1 8.886 0.009 A 19 GLU HA H 1 4.032 0.030 A 19 GLU HBy H 1 2.152 0.006 A 19 GLU CA C 13 59.872 0.100 A 19 GLU CB C 13 28.951 0.095 A 19 GLU N N 15 119.385 0.080 A 20 GLU HA H 1 4.090 0.018 A 20 GLU HBy H 1 2.057 0.032 A 20 GLU HGx H 1 2.442 0.027 A 20 GLU C C 13 179.664 0.000 A 20 GLU CA C 13 59.595 0.122 A 20 GLU CB C 13 29.043 0.060 A 20 GLU CG C 13 35.747 0.150 A 21 GLU H H 1 7.611 0.008 A 21 GLU HA H 1 4.270 0.022 A 21 GLU HB2 H 1 2.056 0.028 A 21 GLU HB3 H 1 2.411 0.019 A 21 GLU HGx H 1 2.477 0.010 A 21 GLU C C 13 179.079 0.000 A 21 GLU CA C 13 58.518 0.079 A 21 GLU CB C 13 29.885 0.078 A 21 GLU CG C 13 35.723 0.040 A 21 GLU N N 15 120.346 0.063 A 22 LEU H H 1 9.016 0.011 A 22 LEU HA H 1 4.132 0.027 A 22 LEU HBx H 1 1.538 0.036 A 22 LEU HBy H 1 2.182 0.010 A 22 LEU HDx% H 1 0.475 0.045 A 22 LEU HG H 1 0.887 0.036 A 22 LEU C C 13 178.698 0.000 A 22 LEU CA C 13 57.861 0.069 A 22 LEU CB C 13 41.720 0.065 A 22 LEU CD2 C 13 24.536 0.000 A 22 LEU CG C 13 26.034 0.089 A 22 LEU N N 15 122.508 0.080 A 23 LYS H H 1 7.777 0.013 A 23 LYS HA H 1 3.986 0.037 A 23 LYS HBx H 1 2.038 0.014 A 23 LYS HDy H 1 1.624 0.008 A 23 LYS HDx H 1 1.471 0.017 A 23 LYS HEy H 1 2.974 0.033 A 23 LYS HEx H 1 2.952 0.042 A 23 LYS HGy H 1 1.744 0.020 A 23 LYS HGx H 1 1.347 0.047 A 23 LYS HZ1 H 1 8.073 0.000 A 23 LYS HZ2 H 1 8.073 0.000 A 23 LYS HZ3 H 1 8.073 0.000 A 23 LYS C C 13 179.624 0.000 A 23 LYS CA C 13 60.691 0.052 A 23 LYS CB C 13 32.394 0.100 A 23 LYS CD C 13 32.075 0.026 A 23 LYS CE C 13 42.096 0.114 A 23 LYS CG C 13 25.872 0.149 A 23 LYS N N 15 119.162 0.131 A 24 ARG H H 1 7.397 0.010 A 24 ARG HA H 1 4.201 0.012 A 24 ARG HBy H 1 2.232 0.010 A 24 ARG HDy H 1 3.273 0.018 A 24 ARG HE H 1 6.793 0.024 A 24 ARG HGx H 1 1.769 0.032 A 24 ARG HGy H 1 1.972 0.038 A 24 ARG C C 13 178.260 0.000 A 24 ARG CA C 13 59.232 0.069 A 24 ARG CB C 13 29.794 0.029 A 24 ARG CD C 13 43.293 0.055 A 24 ARG CG C 13 27.558 0.047 A 24 ARG N N 15 119.502 0.099 A 24 ARG NE N 15 112.687 0.000 A 25 PHE H H 1 8.798 0.017 A 25 PHE HA H 1 3.868 0.041 A 25 PHE HBx H 1 2.848 0.023 A 25 PHE HBy H 1 3.570 0.035 A 25 PHE HD1 H 1 6.621 0.039 A 25 PHE HD2 H 1 6.621 0.039 A 25 PHE HE1 H 1 6.556 0.021 A 25 PHE HE2 H 1 6.556 0.021 A 25 PHE C C 13 177.302 0.000 A 25 PHE CA C 13 62.181 0.053 A 25 PHE CB C 13 39.543 0.050 A 25 PHE CD1 C 13 132.265 0.185 A 25 PHE CD2 C 13 132.265 0.185 A 25 PHE CE1 C 13 130.489 0.019 A 25 PHE CE2 C 13 130.489 0.019 A 25 PHE N N 15 120.567 0.161 A 26 LYS H H 1 8.841 0.018 A 26 LYS HA H 1 3.674 0.018 A 26 LYS HBx H 1 1.902 0.027 A 26 LYS HBy H 1 2.086 0.026 A 26 LYS HDx H 1 1.784 0.032 A 26 LYS HDy H 1 1.998 0.022 A 26 LYS HEx H 1 3.234 0.000 A 26 LYS HGx H 1 1.203 0.024 A 26 LYS HZ1 H 1 8.559 0.043 A 26 LYS HZ2 H 1 8.559 0.043 A 26 LYS HZ3 H 1 8.559 0.043 A 26 LYS C C 13 177.118 0.000 A 26 LYS CA C 13 60.962 0.069 A 26 LYS CB C 13 33.039 0.157 A 26 LYS CD C 13 30.887 0.117 A 26 LYS CG C 13 27.947 0.025 A 26 LYS N N 15 117.901 0.103 A 27 TYR H H 1 7.645 0.019 A 27 TYR HA H 1 4.156 0.024 A 27 TYR HB2 H 1 3.140 0.015 A 27 TYR HD1 H 1 6.650 0.039 A 27 TYR HD2 H 1 6.650 0.039 A 27 TYR HE1 H 1 6.696 0.031 A 27 TYR HE2 H 1 6.696 0.031 A 27 TYR C C 13 178.460 0.000 A 27 TYR CA C 13 61.457 0.032 A 27 TYR CB C 13 37.747 0.043 A 27 TYR CE1 C 13 118.252 0.000 A 27 TYR CE2 C 13 118.252 0.000 A 27 TYR N N 15 118.480 0.080 A 28 PHE H H 1 7.741 0.012 A 28 PHE HA H 1 4.246 0.006 A 28 PHE HB2 H 1 2.938 0.022 A 28 PHE HB3 H 1 2.815 0.017 A 28 PHE HD1 H 1 7.382 0.008 A 28 PHE HD2 H 1 7.382 0.008 A 28 PHE C C 13 178.827 0.000 A 28 PHE CA C 13 60.802 0.054 A 28 PHE CB C 13 40.077 0.049 A 28 PHE CD1 C 13 131.676 0.000 A 28 PHE CD2 C 13 131.676 0.000 A 28 PHE N N 15 117.525 0.084 A 29 ALA H H 1 8.840 0.007 A 29 ALA HA H 1 3.973 0.008 A 29 ALA HB% H 1 1.207 0.016 A 29 ALA C C 13 178.340 0.000 A 29 ALA CA C 13 55.322 0.039 A 29 ALA CB C 13 17.204 0.056 A 29 ALA N N 15 123.372 0.082 A 30 LEU H H 1 7.443 0.031 A 30 LEU HA H 1 4.039 0.017 A 30 LEU HB2 H 1 1.624 0.042 A 30 LEU HB3 H 1 1.703 0.010 A 30 LEU HDx% H 1 0.802 0.040 A 30 LEU HDy% H 1 0.927 0.044 A 30 LEU HG H 1 1.863 0.036 A 30 LEU C C 13 178.373 0.000 A 30 LEU CA C 13 58.344 0.078 A 30 LEU CB C 13 41.927 0.091 A 30 LEU CD1 C 13 23.822 0.120 A 30 LEU CD2 C 13 25.207 0.000 A 30 LEU CG C 13 26.373 0.073 A 30 LEU N N 15 117.039 0.064 A 31 THR H H 1 7.014 0.013 A 31 THR HA H 1 4.228 0.033 A 31 THR HB H 1 4.074 0.016 A 31 THR HG2% H 1 1.174 0.019 A 31 THR C C 13 176.282 0.000 A 31 THR CA C 13 63.328 0.045 A 31 THR CB C 13 69.170 0.031 A 31 THR CG2 C 13 22.020 0.049 A 31 THR N N 15 125.874 0.105 A 32 GLU H H 1 7.808 0.011 A 32 GLU HA H 1 4.152 0.033 A 32 GLU HBx H 1 1.795 0.005 A 32 GLU HBy H 1 1.930 0.026 A 32 GLU HGx H 1 2.202 0.008 A 32 GLU C C 13 175.968 0.000 A 32 GLU CA C 13 57.781 0.129 A 32 GLU CB C 13 31.061 0.090 A 32 GLU CG C 13 34.436 0.078 A 32 GLU N N 15 120.558 0.055 A 33 PHE H H 1 8.390 0.013 A 33 PHE HA H 1 4.470 0.024 A 33 PHE HBx H 1 2.959 0.023 A 33 PHE HD1 H 1 7.517 0.030 A 33 PHE HD2 H 1 7.517 0.030 A 33 PHE HE1 H 1 7.079 0.005 A 33 PHE HE2 H 1 7.079 0.005 A 33 PHE CA C 13 57.498 0.160 A 33 PHE CB C 13 40.543 0.057 A 33 PHE CD1 C 13 132.763 0.125 A 33 PHE CD2 C 13 132.763 0.125 A 33 PHE CE1 C 13 130.670 0.063 A 33 PHE CE2 C 13 130.670 0.063 A 33 PHE N N 15 114.045 0.095 A 34 GLN H H 1 7.968 0.021 A 34 GLN HA H 1 4.270 0.010 A 34 GLN HBx H 1 2.107 0.030 A 34 GLN HGx H 1 2.276 0.030 A 34 GLN C C 13 174.516 0.000 A 34 GLN CA C 13 56.154 0.082 A 34 GLN CB C 13 26.321 0.150 A 34 GLN CG C 13 34.112 0.056 A 35 ILE H H 1 7.455 0.008 A 35 ILE HA H 1 4.371 0.014 A 35 ILE HB H 1 1.450 0.028 A 35 ILE HD1% H 1 0.586 0.024 A 35 ILE HG1y H 1 1.060 0.013 A 35 ILE HG2% H 1 0.812 0.024 A 35 ILE C C 13 173.592 0.000 A 35 ILE CA C 13 59.410 0.073 A 35 ILE CB C 13 41.757 0.074 A 35 ILE CD1 C 13 14.577 0.032 A 35 ILE CG1 C 13 27.141 0.031 A 35 ILE CG2 C 13 17.144 0.029 A 35 ILE N N 15 119.653 0.056 A 36 ALA H H 1 8.238 0.015 A 36 ALA HA H 1 4.268 0.011 A 36 ALA HB% H 1 1.449 0.014 A 36 ALA C C 13 178.784 0.000 A 36 ALA CA C 13 52.182 0.099 A 36 ALA CB C 13 19.265 0.101 A 36 ALA N N 15 126.668 0.119 A 37 ARG H H 1 8.820 0.024 A 37 ARG HA H 1 3.816 0.016 A 37 ARG HBy H 1 1.870 0.014 A 37 ARG HDy H 1 3.217 0.018 A 37 ARG HE H 1 7.317 0.001 A 37 ARG HGx H 1 1.682 0.032 A 37 ARG HH1x H 1 6.448 0.000 A 37 ARG HH1y H 1 6.718 0.000 A 37 ARG CA C 13 59.838 0.054 A 37 ARG CB C 13 29.932 0.096 A 37 ARG CD C 13 43.486 0.064 A 37 ARG CG C 13 27.180 0.134 A 37 ARG N N 15 123.068 0.080 A 38 SER H H 1 8.517 0.019 A 38 SER HA H 1 4.178 0.035 A 38 SER HBx H 1 3.920 0.029 A 38 SER C C 13 178.315 0.000 A 38 SER CA C 13 60.772 0.109 A 38 SER CB C 13 62.061 0.083 A 38 SER N N 15 112.348 0.051 A 39 THR H H 1 7.231 0.011 A 39 THR HA H 1 4.025 0.039 A 39 THR HB H 1 4.029 0.044 A 39 THR HG2% H 1 0.846 0.009 A 39 THR C C 13 175.203 0.000 A 39 THR CA C 13 64.904 0.044 A 39 THR CB C 13 68.726 0.086 A 39 THR CG2 C 13 21.662 0.061 A 39 THR N N 15 117.311 0.072 A 40 LEU H H 1 7.552 0.007 A 40 LEU HA H 1 4.031 0.005 A 40 LEU HBx H 1 1.480 0.023 A 40 LEU HBy H 1 1.797 0.009 A 40 LEU HDx% H 1 0.835 0.040 A 40 LEU C C 13 177.743 0.000 A 40 LEU CA C 13 56.063 0.041 A 40 LEU CB C 13 42.294 0.049 A 40 LEU CD1 C 13 24.692 0.106 A 40 LEU CG C 13 25.962 0.000 A 40 LEU N N 15 118.713 0.060 A 41 ASP H H 1 8.153 0.019 A 41 ASP HA H 1 4.497 0.011 A 41 ASP HBx H 1 2.737 0.041 A 41 ASP C C 13 177.111 0.000 A 41 ASP CA C 13 56.594 0.081 A 41 ASP CB C 13 39.954 0.096 A 41 ASP N N 15 119.468 0.098 A 42 VAL H H 1 7.293 0.021 A 42 VAL HA H 1 4.328 0.025 A 42 VAL HB H 1 2.253 0.013 A 42 VAL HG2% H 1 0.839 0.012 A 42 VAL C C 13 175.994 0.000 A 42 VAL CA C 13 60.742 0.054 A 42 VAL CB C 13 32.741 0.090 A 42 VAL CG1 C 13 21.584 0.082 A 42 VAL CG2 C 13 19.100 0.181 A 42 VAL N N 15 111.960 0.074 A 43 ALA H H 1 7.626 0.017 A 43 ALA HA H 1 4.326 0.016 A 43 ALA HB% H 1 1.400 0.026 A 43 ALA C C 13 177.972 0.000 A 43 ALA CA C 13 53.078 0.066 A 43 ALA CB C 13 19.451 0.069 A 43 ALA N N 15 124.575 0.095 A 44 ASP H H 1 8.002 0.016 A 44 ASP HA H 1 4.060 0.010 A 44 ASP HBx H 1 2.195 0.012 A 44 ASP C C 13 179.346 0.000 A 44 ASP CA C 13 58.324 0.060 A 44 ASP CB C 13 31.932 0.064 A 44 ASP N N 15 119.810 0.180 A 45 ARG H H 1 8.611 0.013 A 45 ARG HA H 1 3.769 0.009 A 45 ARG HBx H 1 1.880 0.033 A 45 ARG HBy H 1 2.086 0.014 A 45 ARG HDy H 1 2.967 0.003 A 45 ARG HE H 1 6.711 0.000 A 45 ARG HGy H 1 1.663 0.037 A 45 ARG HGx H 1 1.474 0.028 A 45 ARG C C 13 177.492 0.000 A 45 ARG CA C 13 60.809 0.072 A 45 ARG CB C 13 33.014 0.106 A 45 ARG CD C 13 42.076 0.008 A 45 ARG CG C 13 25.279 0.150 A 45 ARG N N 15 123.564 0.083 A 46 THR H H 1 8.182 0.018 A 46 THR HA H 1 4.051 0.028 A 46 THR HB H 1 1.677 0.022 A 46 THR HG1 H 1 1.944 0.019 A 46 THR HG2% H 1 1.857 0.013 A 46 THR C C 13 179.947 0.000 A 46 THR CA C 13 59.605 0.066 A 46 THR CB C 13 32.375 0.041 A 46 THR CG2 C 13 25.390 0.000 A 46 THR N N 15 118.315 0.145 A 47 GLU H H 1 8.117 0.023 A 47 GLU HA H 1 4.022 0.025 A 47 GLU HB3 H 1 1.827 0.004 A 47 GLU HGx H 1 2.034 0.017 A 47 GLU C C 13 179.758 0.000 A 47 GLU CB C 13 29.199 0.047 A 47 GLU N N 15 118.691 0.165 A 48 LEU H H 1 8.355 0.034 A 48 LEU HA H 1 3.759 0.029 A 48 LEU HBx H 1 1.419 0.024 A 48 LEU HD1% H 1 0.861 0.029 A 48 LEU HG H 1 2.026 0.028 A 48 LEU C C 13 177.474 0.000 A 48 LEU CA C 13 58.574 0.024 A 48 LEU CB C 13 41.602 0.057 A 48 LEU CD2 C 13 24.727 0.000 A 48 LEU CG C 13 27.879 0.124 A 48 LEU N N 15 120.020 0.125 A 49 ALA H H 1 8.224 0.015 A 49 ALA HA H 1 3.689 0.029 A 49 ALA HB% H 1 1.420 0.025 A 49 ALA C C 13 178.552 0.000 A 49 ALA CA C 13 56.129 0.045 A 49 ALA CB C 13 17.636 0.093 A 49 ALA N N 15 120.164 0.150 A 50 ASP H H 1 8.041 0.014 A 50 ASP HA H 1 4.418 0.022 A 50 ASP HBx H 1 2.588 0.027 A 50 ASP HBy H 1 2.705 0.010 A 50 ASP C C 13 179.108 0.000 A 50 ASP CA C 13 57.921 0.108 A 50 ASP CB C 13 39.763 0.064 A 50 ASP N N 15 115.824 0.097 A 51 HIS H H 1 8.541 0.026 A 51 HIS HA H 1 4.465 0.029 A 51 HIS HB2 H 1 3.216 0.019 A 51 HIS HB3 H 1 3.000 0.029 A 51 HIS CA C 13 58.490 0.090 A 51 HIS CB C 13 28.065 0.078 A 51 HIS N N 15 117.866 0.147 A 52 LEU H H 1 8.529 0.021 A 52 LEU HA H 1 3.626 0.011 A 52 LEU HB2 H 1 1.809 0.022 A 52 LEU HB3 H 1 1.112 0.030 A 52 LEU HD2% H 1 -0.393 0.007 A 52 LEU HG H 1 0.619 0.012 A 52 LEU C C 13 178.488 0.000 A 52 LEU CA C 13 58.380 0.048 A 52 LEU CB C 13 39.431 0.051 A 52 LEU CD2 C 13 19.144 0.028 A 52 LEU CG C 13 24.696 0.113 A 52 LEU N N 15 120.279 0.146 A 53 ILE H H 1 8.069 0.020 A 53 ILE HA H 1 3.439 0.025 A 53 ILE HB H 1 1.993 0.010 A 53 ILE HG1x H 1 0.871 0.020 A 53 ILE HG1y H 1 1.800 0.016 A 53 ILE C C 13 178.798 0.000 A 53 ILE CA C 13 64.985 0.043 A 53 ILE CB C 13 37.653 0.071 A 53 ILE CG1 C 13 16.597 0.048 A 53 ILE N N 15 119.478 0.101 A 54 GLN H H 1 8.382 0.018 A 54 GLN HA H 1 4.020 0.012 A 54 GLN HBx H 1 2.128 0.014 A 54 GLN HE2x H 1 7.485 0.000 A 54 GLN HGy H 1 2.527 0.038 A 54 GLN HGx H 1 2.422 0.025 A 54 GLN C C 13 177.668 0.000 A 54 GLN CA C 13 58.660 0.157 A 54 GLN CB C 13 28.489 0.070 A 54 GLN CG C 13 33.915 0.057 A 54 GLN N N 15 119.904 0.168 A 55 SER H H 1 7.623 0.007 A 55 SER HA H 1 4.353 0.004 A 55 SER HBx H 1 4.094 0.004 A 55 SER C C 13 175.910 0.000 A 55 SER CA C 13 61.019 0.095 A 55 SER CB C 13 63.997 0.076 A 55 SER N N 15 110.647 0.074 A 56 ALA H H 1 7.908 0.015 A 56 ALA HA H 1 4.725 0.027 A 56 ALA HB% H 1 1.542 0.012 A 56 ALA C C 13 178.537 0.000 A 56 ALA CA C 13 52.712 0.042 A 56 ALA CB C 13 21.762 0.054 A 56 ALA N N 15 118.590 0.105 A 57 GLY H H 1 7.996 0.007 A 57 GLY HAx H 1 3.850 0.023 A 57 GLY HAy H 1 4.640 0.005 A 57 GLY C C 13 174.410 0.000 A 57 GLY CA C 13 44.231 0.020 A 57 GLY N N 15 109.060 0.095 A 58 ALA H H 1 8.710 0.013 A 58 ALA HA H 1 4.006 0.013 A 58 ALA HB% H 1 1.575 0.015 A 58 ALA C C 13 177.285 0.000 A 58 ALA CA C 13 57.081 0.061 A 58 ALA CB C 13 19.206 0.071 A 58 ALA N N 15 123.460 0.075 A 59 ALA H H 1 8.272 0.017 A 59 ALA HA H 1 2.947 0.013 A 59 ALA HB% H 1 1.154 0.023 A 59 ALA C C 13 181.017 0.000 A 59 ALA CA C 13 55.393 0.073 A 59 ALA CB C 13 18.030 0.040 A 59 ALA N N 15 118.918 0.156 A 60 SER H H 1 8.218 0.013 A 60 SER HA H 1 4.130 0.026 A 60 SER HBx H 1 3.687 0.008 A 60 SER HBy H 1 3.880 0.005 A 60 SER C C 13 176.246 0.000 A 60 SER CA C 13 60.601 0.127 A 60 SER CB C 13 62.796 0.064 A 60 SER N N 15 112.905 0.062 A 61 ALA H H 1 8.583 0.015 A 61 ALA HA H 1 4.156 0.009 A 61 ALA HB% H 1 1.568 0.008 A 61 ALA C C 13 179.639 0.000 A 61 ALA CA C 13 55.655 0.026 A 61 ALA CB C 13 18.550 0.075 A 61 ALA N N 15 121.207 0.148 A 62 VAL H H 1 7.517 0.010 A 62 VAL HA H 1 3.673 0.004 A 62 VAL HB H 1 2.145 0.020 A 62 VAL HG1% H 1 1.286 0.017 A 62 VAL HG2% H 1 1.055 0.010 A 62 VAL C C 13 177.567 0.000 A 62 VAL CA C 13 67.903 0.044 A 62 VAL CB C 13 31.553 0.150 A 62 VAL CG1 C 13 25.142 0.042 A 62 VAL CG2 C 13 22.437 0.070 A 62 VAL N N 15 116.024 0.060 A 63 THR H H 1 8.007 0.012 A 63 THR HA H 1 4.318 0.026 A 63 THR HB H 1 3.780 0.002 A 63 THR HG2% H 1 1.205 0.013 A 63 THR C C 13 176.800 0.000 A 63 THR CA C 13 68.590 0.128 A 63 THR CB C 13 67.818 0.069 A 63 THR CG2 C 13 21.788 0.124 A 63 THR N N 15 117.797 0.125 A 64 LYS H H 1 8.771 0.015 A 64 LYS HA H 1 3.897 0.008 A 64 LYS HB2 H 1 1.582 0.017 A 64 LYS HB3 H 1 1.106 0.023 A 64 LYS HDx H 1 1.367 0.016 A 64 LYS HG2 H 1 0.911 0.025 A 64 LYS HZ1 H 1 7.030 0.008 A 64 LYS HZ2 H 1 7.030 0.008 A 64 LYS HZ3 H 1 7.030 0.008 A 64 LYS C C 13 178.721 0.000 A 64 LYS CA C 13 59.942 0.075 A 64 LYS CB C 13 34.238 0.033 A 64 LYS CG C 13 26.136 0.094 A 64 LYS N N 15 121.300 0.278 A 65 ALA H H 1 8.598 0.010 A 65 ALA HA H 1 4.052 0.017 A 65 ALA HB% H 1 1.679 0.009 A 65 ALA C C 13 178.759 0.000 A 65 ALA CA C 13 56.050 0.039 A 65 ALA CB C 13 18.244 0.030 A 65 ALA N N 15 121.115 0.066 A 66 ILE H H 1 8.657 0.011 A 66 ILE HA H 1 3.649 0.019 A 66 ILE HB H 1 1.692 0.043 A 66 ILE HD1% H 1 0.881 0.005 A 66 ILE HG12 H 1 1.099 0.020 A 66 ILE HG13 H 1 2.124 0.041 A 66 ILE HG2% H 1 0.999 0.021 A 66 ILE C C 13 177.252 0.000 A 66 ILE CA C 13 67.959 0.092 A 66 ILE CB C 13 38.049 0.061 A 66 ILE CD1 C 13 15.042 0.111 A 66 ILE CG1 C 13 31.738 0.131 A 66 ILE CG2 C 13 17.651 0.028 A 66 ILE N N 15 118.735 0.057 A 67 ASN H H 1 7.525 0.009 A 67 ASN HA H 1 4.407 0.049 A 67 ASN HBy H 1 2.941 0.011 A 67 ASN HBx H 1 2.820 0.014 A 67 ASN C C 13 178.095 0.000 A 67 ASN CA C 13 56.569 0.085 A 67 ASN CB C 13 38.381 0.072 A 67 ASN N N 15 117.463 0.086 A 68 ILE H H 1 8.170 0.012 A 68 ILE HA H 1 3.246 0.012 A 68 ILE HB H 1 2.829 0.037 A 68 ILE HD1% H 1 0.371 0.021 A 68 ILE HG12 H 1 1.794 0.029 A 68 ILE HG13 H 1 1.562 0.005 A 68 ILE HG2% H 1 0.355 0.016 A 68 ILE C C 13 177.540 0.000 A 68 ILE CA C 13 66.216 0.044 A 68 ILE CB C 13 37.416 0.056 A 68 ILE CD1 C 13 13.700 0.120 A 68 ILE CG1 C 13 28.784 0.089 A 68 ILE CG2 C 13 19.155 0.041 A 68 ILE N N 15 120.886 0.089 A 69 PHE H H 1 8.963 0.010 A 69 PHE HA H 1 4.398 0.037 A 69 PHE HB2 H 1 3.447 0.028 A 69 PHE HB3 H 1 3.128 0.007 A 69 PHE HD1 H 1 7.319 0.042 A 69 PHE HD2 H 1 7.319 0.042 A 69 PHE HE1 H 1 7.079 0.025 A 69 PHE HE2 H 1 7.079 0.025 A 69 PHE C C 13 178.279 0.000 A 69 PHE CA C 13 62.837 0.091 A 69 PHE CB C 13 37.994 0.090 A 69 PHE CE1 C 13 130.750 0.005 A 69 PHE CE2 C 13 130.750 0.005 A 69 PHE N N 15 117.836 0.074 A 70 GLN H H 1 8.480 0.016 A 70 GLN HA H 1 4.142 0.013 A 70 GLN HB2 H 1 2.404 0.025 A 70 GLN HB3 H 1 2.019 0.029 A 70 GLN HE2x H 1 6.749 0.000 A 70 GLN HGx H 1 2.209 0.020 A 70 GLN HGy H 1 2.707 0.018 A 70 GLN C C 13 180.057 0.000 A 70 GLN CA C 13 59.786 0.109 A 70 GLN CB C 13 27.673 0.082 A 70 GLN CG C 13 34.365 0.033 A 70 GLN N N 15 118.145 0.139 A 71 LYS H H 1 8.099 0.016 A 71 LYS HA H 1 3.925 0.019 A 71 LYS HBx H 1 1.445 0.030 A 71 LYS HBy H 1 1.617 0.010 A 71 LYS HDx H 1 1.293 0.022 A 71 LYS HEx H 1 3.256 0.028 A 71 LYS HGx H 1 1.226 0.025 A 71 LYS C C 13 178.755 0.000 A 71 LYS CA C 13 59.502 0.042 A 71 LYS CB C 13 32.028 0.058 A 71 LYS CD C 13 29.209 0.030 A 71 LYS CE C 13 43.437 0.000 A 71 LYS CG C 13 25.292 0.038 A 71 LYS N N 15 123.368 0.108 A 72 LEU H H 1 7.866 0.018 A 72 LEU HA H 1 3.992 0.019 A 72 LEU HB2 H 1 1.547 0.034 A 72 LEU HB3 H 1 1.149 0.022 A 72 LEU HDx% H 1 0.637 0.004 A 72 LEU HDy% H 1 7.206 0.045 A 72 LEU HG H 1 0.806 0.039 A 72 LEU C C 13 175.462 0.000 A 72 LEU CA C 13 55.069 0.048 A 72 LEU CB C 13 42.155 0.189 A 72 LEU CD1 C 13 23.835 0.075 A 72 LEU CD2 C 13 26.520 0.121 A 72 LEU CG C 13 26.198 0.071 A 72 LEU N N 15 117.830 0.064 A 73 ASN H H 1 8.026 0.017 A 73 ASN HA H 1 4.339 0.006 A 73 ASN HBy H 1 3.374 0.004 A 73 ASN HBx H 1 2.745 0.005 A 73 ASN C C 13 175.753 0.000 A 73 ASN CA C 13 54.474 0.072 A 73 ASN CB C 13 37.479 0.064 A 73 ASN N N 15 113.996 0.077 A 74 TYR H H 1 8.613 0.007 A 74 TYR HA H 1 5.277 0.011 A 74 TYR HBx H 1 3.147 0.009 A 74 TYR HBy H 1 3.268 0.008 A 74 TYR HD1 H 1 7.158 0.036 A 74 TYR HD2 H 1 7.158 0.036 A 74 TYR HE1 H 1 7.003 0.020 A 74 TYR HE2 H 1 7.003 0.020 A 74 TYR C C 13 177.548 0.000 A 74 TYR CA C 13 54.059 0.109 A 74 TYR CB C 13 35.376 0.042 A 74 TYR CE1 C 13 118.685 0.011 A 74 TYR CE2 C 13 118.685 0.011 A 74 TYR N N 15 122.244 0.107 A 75 MET H H 1 7.722 0.009 A 75 MET HA H 1 4.275 0.022 A 75 MET HBy H 1 2.078 0.009 A 75 MET HGy H 1 2.802 0.004 A 75 MET HGx H 1 2.586 0.019 A 75 MET C C 13 178.716 0.000 A 75 MET CA C 13 57.231 0.149 A 75 MET CB C 13 30.304 0.065 A 75 MET CG C 13 32.351 0.057 A 75 MET N N 15 117.619 0.069 A 76 HIS H H 1 8.865 0.016 A 76 HIS HA H 1 4.467 0.030 A 76 HIS HBy H 1 3.318 0.008 A 76 HIS CA C 13 58.997 0.046 A 76 HIS CB C 13 27.437 0.111 A 76 HIS N N 15 117.559 0.069 A 77 ILE H H 1 7.356 0.023 A 77 ILE HA H 1 3.584 0.019 A 77 ILE HB H 1 1.385 0.012 A 77 ILE HD1% H 1 0.603 0.006 A 77 ILE HG1x H 1 0.921 0.012 A 77 ILE HG1y H 1 1.351 0.005 A 77 ILE HG2% H 1 -0.020 0.005 A 77 ILE C C 13 177.168 0.000 A 77 ILE CA C 13 64.204 0.059 A 77 ILE CB C 13 37.800 0.054 A 77 ILE CD1 C 13 13.150 0.077 A 77 ILE CG1 C 13 28.071 0.067 A 77 ILE CG2 C 13 16.355 0.050 A 77 ILE N N 15 119.750 0.141 A 78 ALA H H 1 8.054 0.015 A 78 ALA HA H 1 3.930 0.007 A 78 ALA HB% H 1 1.605 0.016 A 78 ALA C C 13 178.936 0.000 A 78 ALA CA C 13 56.421 0.082 A 78 ALA CB C 13 18.987 0.086 A 78 ALA N N 15 120.662 0.109 A 79 ASN H H 1 8.531 0.008 A 79 ASN HA H 1 4.444 0.011 A 79 ASN HB2 H 1 2.820 0.024 A 79 ASN HB3 H 1 2.852 0.000 A 79 ASN HD2x H 1 6.898 0.000 A 79 ASN C C 13 177.625 0.000 A 79 ASN CA C 13 56.051 0.088 A 79 ASN CB C 13 38.224 0.049 A 79 ASN N N 15 114.176 0.070 A 80 ALA H H 1 7.822 0.017 A 80 ALA HA H 1 4.128 0.013 A 80 ALA HB% H 1 1.350 0.005 A 80 ALA C C 13 180.727 0.000 A 80 ALA CA C 13 55.162 0.043 A 80 ALA CB C 13 18.262 0.050 A 80 ALA N N 15 123.670 0.092 A 81 LEU H H 1 8.526 0.011 A 81 LEU HA H 1 3.992 0.008 A 81 LEU HBx H 1 1.636 0.032 A 81 LEU HDx% H 1 0.889 0.011 A 81 LEU C C 13 177.550 0.000 A 81 LEU CA C 13 57.873 0.125 A 81 LEU CB C 13 42.339 0.099 A 81 LEU CG C 13 26.048 0.016 A 81 LEU N N 15 120.065 0.127 A 82 GLU H H 1 8.429 0.021 A 82 GLU HA H 1 3.995 0.034 A 82 GLU HB3 H 1 2.214 0.039 A 82 GLU HGx H 1 2.435 0.009 A 82 GLU C C 13 178.510 0.000 A 82 GLU CA C 13 59.671 0.074 A 82 GLU CB C 13 28.804 0.046 A 82 GLU CG C 13 34.517 0.080 A 82 GLU N N 15 119.844 0.066 A 83 GLU H H 1 8.138 0.009 A 83 GLU HA H 1 4.054 0.027 A 83 GLU HBy H 1 2.134 0.010 A 83 GLU HGx H 1 2.459 0.020 A 83 GLU C C 13 179.516 0.000 A 83 GLU CA C 13 59.904 0.057 A 83 GLU CB C 13 28.959 0.147 A 83 GLU CG C 13 35.655 0.034 A 83 GLU N N 15 118.585 0.091 A 84 LYS H H 1 8.690 0.023 A 84 LYS HA H 1 4.120 0.023 A 84 LYS HB2 H 1 2.035 0.040 A 84 LYS HGx H 1 0.889 0.015 A 84 LYS HZ1 H 1 7.608 0.000 A 84 LYS HZ2 H 1 7.608 0.000 A 84 LYS HZ3 H 1 7.608 0.000 A 84 LYS CA C 13 59.708 0.098 A 84 LYS CG C 13 12.988 0.046 A 84 LYS N N 15 119.135 0.084 A 85 LYS H H 1 8.109 0.038 A 85 LYS HA H 1 4.457 0.035 A 85 LYS N N 15 118.012 0.025 A 86 LYS H H 1 8.577 0.045 A 86 LYS HA H 1 3.918 0.000 A 86 LYS HBx H 1 2.056 0.000 A 86 LYS HDx H 1 1.422 0.000 A 86 LYS HEx H 1 3.753 0.009 A 86 LYS HGx H 1 0.879 0.013 A 86 LYS HZ1 H 1 8.220 0.010 A 86 LYS HZ2 H 1 8.220 0.010 A 86 LYS HZ3 H 1 8.220 0.010 A 86 LYS CA C 13 63.298 0.000 A 86 LYS N N 15 119.839 0.159 A 87 GLU H H 1 8.402 0.007 A 87 GLU HA H 1 3.991 0.038 A 87 GLU HB3 H 1 2.106 0.025 A 87 GLU HGy H 1 2.516 0.023 A 87 GLU HGx H 1 2.268 0.046 A 87 GLU CA C 13 59.239 0.120 A 87 GLU CB C 13 29.112 0.069 A 87 GLU CG C 13 35.181 0.218 A 87 GLU N N 15 119.674 0.065 A 88 ALA H H 1 8.043 0.018 A 88 ALA HA H 1 4.082 0.015 A 88 ALA HB% H 1 1.338 0.025 A 88 ALA C C 13 179.999 0.000 A 88 ALA CA C 13 54.938 0.092 A 88 ALA CB C 13 18.417 0.041 A 88 ALA N N 15 121.869 0.113 A 89 GLU H H 1 8.058 0.013 A 89 GLU HA H 1 4.004 0.018 A 89 GLU HBy H 1 2.366 0.017 A 89 GLU HBx H 1 2.119 0.024 A 89 GLU HGx H 1 2.382 0.012 A 89 GLU HGy H 1 2.721 0.027 A 89 GLU C C 13 178.454 0.000 A 89 GLU CA C 13 58.394 0.094 A 89 GLU CB C 13 29.144 0.097 A 89 GLU CG C 13 36.777 0.077 A 89 GLU N N 15 115.931 0.068 A 90 ARG H H 1 7.791 0.011 A 90 ARG HA H 1 4.183 0.014 A 90 ARG HB3 H 1 1.923 0.028 A 90 ARG HDy H 1 3.202 0.027 A 90 ARG HG2 H 1 1.822 0.008 A 90 ARG HG3 H 1 1.703 0.005 A 90 ARG C C 13 177.870 0.000 A 90 ARG CA C 13 58.265 0.145 A 90 ARG CB C 13 30.249 0.057 A 90 ARG CD C 13 43.545 0.033 A 90 ARG CG C 13 27.362 0.073 A 90 ARG N N 15 119.607 0.080 A 91 LYS H H 1 7.709 0.010 A 91 LYS HA H 1 4.197 0.007 A 91 LYS HBx H 1 1.870 0.019 A 91 LYS HD2 H 1 1.689 0.011 A 91 LYS HEx H 1 2.970 0.016 A 91 LYS HG2 H 1 1.540 0.016 A 91 LYS HG3 H 1 1.443 0.019 A 91 LYS HZ1 H 1 7.500 0.037 A 91 LYS HZ2 H 1 7.500 0.037 A 91 LYS HZ3 H 1 7.500 0.037 A 91 LYS C C 13 177.087 0.000 A 91 LYS CA C 13 57.606 0.079 A 91 LYS CB C 13 32.620 0.072 A 91 LYS CD C 13 29.267 0.054 A 91 LYS CE C 13 42.138 0.032 A 91 LYS CG C 13 25.129 0.089 A 91 LYS N N 15 118.638 0.110 A 92 LEU H H 1 7.766 0.011 A 92 LEU HA H 1 4.329 0.012 A 92 LEU HBx H 1 1.774 0.004 A 92 LEU HDx% H 1 0.898 0.019 A 92 LEU HG H 1 1.657 0.035 A 92 LEU C C 13 177.464 0.000 A 92 LEU CA C 13 55.618 0.035 A 92 LEU CB C 13 42.355 0.061 A 92 LEU CD1 C 13 23.287 0.000 A 92 LEU CD2 C 13 24.818 0.000 A 92 LEU CG C 13 27.043 0.113 A 92 LEU N N 15 119.640 0.076 A 93 MET H H 1 7.973 0.010 A 93 MET HA H 1 4.570 0.022 A 93 MET HBx H 1 2.103 0.034 A 93 MET HBy H 1 2.156 0.031 A 93 MET HGx H 1 2.655 0.024 A 93 MET C C 13 176.224 0.000 A 93 MET CA C 13 55.648 0.030 A 93 MET CB C 13 32.978 0.139 A 93 MET CG C 13 32.227 0.095 A 93 MET N N 15 119.121 0.063 A 94 THR H H 1 8.025 0.021 A 94 THR HA H 1 4.375 0.023 A 94 THR HB H 1 4.474 0.021 A 94 THR HG2% H 1 1.205 0.004 A 94 THR C C 13 173.550 0.000 A 94 THR CA C 13 61.682 0.062 A 94 THR CB C 13 70.027 0.048 A 94 THR CG2 C 13 21.386 0.000 A 94 THR N N 15 114.125 0.069 A 95 ASN H H 1 8.095 0.010 A 95 ASN HA H 1 4.520 0.025 A 95 ASN HBx H 1 2.735 0.031 A 95 ASN CA C 13 54.909 0.021 A 95 ASN CB C 13 40.318 0.023 A 95 ASN N N 15 125.850 0.101 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 36 ALA HB% A 39 THR HB 1.0 0.0 4.68 2 2 A 68 ILE HA A 68 ILE HG13 1.0 0.0 4.16 3 3 A 68 ILE HA A 71 LYS HBx 1.0 0.0 4.54 4 4 A 68 ILE HA A 71 LYS HBy 1.0 0.0 4.54 5 5 A 68 ILE HA A 68 ILE HG12 1.0 0.0 4.25 6 6 A 12 THR HA A 12 THR HG1 1.0 0.0 3.53 7 7 A 53 ILE HA A 58 ALA HA 1.0 0.0 4.30 8 8 A 53 ILE HA A 52 LEU HB2 1.0 0.0 5.10 9 9 A 53 ILE HA A 62 VAL HG2% 1.0 0.0 5.50 10 10 A 60 SER H A 60 SER HBx 1.0 0.0 3.63 11 11 A 60 SER H A 60 SER HBy 1.0 0.0 3.63 12 12 A 69 PHE HA A 69 PHE HD% 1.0 0.0 3.96 13 13 A 56 ALA HB% A 60 SER HBy 1.0 0.0 3.70 14 14 A 69 PHE HA A 72 LEU HB2 1.0 0.0 3.88 15 15 A 25 PHE HA A 25 PHE HD% 1.0 0.0 4.27 16 16 A 25 PHE HA A 28 PHE HB2 1.0 0.0 4.53 17 17 A 94 THR HA A 95 ASN H 1.0 0.0 3.42 18 18 A 27 TYR HA A 26 LYS HBy 1.0 0.0 5.08 19 19 A 27 TYR HA A 30 LEU H 1.0 0.0 4.38 20 20 A 27 TYR HA A 27 TYR HD% 1.0 0.0 4.07 21 21 A 18 THR HA A 19 GLU H 1.0 0.0 3.43 22 22 A 5 TYR HA A 8 MET H 1.0 0.0 5.34 23 23 A 5 TYR HA A 4 GLU HA 1.0 0.0 4.79 24 24 A 26 LYS HA A 30 LEU HG 1.0 0.0 4.32 25 25 A 26 LYS HA A 30 LEU HB2 1.0 0.0 4.41 26 26 A 18 THR HA A 18 THR HG1 1.0 0.0 3.78 27 27 A 26 LYS HA A 35 ILE HG2% 1.0 0.0 5.50 28 28 A 26 LYS HA A 48 LEU HD21 1.0 0.0 5.50 29 29 A 60 SER HA A 63 THR H 1.0 0.0 4.23 30 30 A 2 GLU HA A 5 TYR HBy 1.0 0.0 3.91 31 31 A 6 ARG HA A 9 LEU HBy 1.0 0.0 3.87 32 32 A 2 GLU HA A 5 TYR H 1.0 0.0 4.18 33 33 A 6 ARG HA A 10 LEU H 1.0 0.0 4.71 34 34 A 28 PHE HA A 28 PHE HD% 1.0 0.0 4.14 35 35 A 2 GLU HA A 5 TYR HD% 1.0 0.0 4.13 36 36 A 6 ARG HA A 7 GLU HA 1.0 0.0 5.36 37 37 A 44 ASP HA A 45 ARG HA 1.0 0.0 5.50 38 38 A 45 ARG HA A 46 THR HA 1.0 0.0 5.50 39 39 A 6 ARG HA A 9 LEU HBx 1.0 0.0 3.87 40 40 A 42 VAL HA A 42 VAL HG2% 1.0 0.0 3.30 41 41 A 64 LYS HA A 67 ASN HBx 1.0 0.0 4.09 42 42 A 19 GLU HA A 22 LEU H 1.0 0.0 4.32 43 43 A 19 GLU HA A 18 THR H 1.0 0.0 5.50 44 44 A 46 THR HA A 45 ARG H 1.0 0.0 5.50 45 45 A 70 GLN HA A 78 ALA H 1.0 0.0 4.53 46 46 A 20 GLU HA A 23 LYS H 1.0 0.0 4.15 47 47 A 66 ILE HB A 82 GLU HA 1.0 0.0 4.54 48 48 A 84 LYS HA A 88 ALA HB% 1.0 0.0 5.48 49 49 A 19 GLU HA A 22 LEU HG 1.0 0.0 4.33 50 50 A 82 GLU HA A 66 ILE HD1% 1.0 0.0 3.48 51 51 A 46 THR HA A 46 THR HG2% 1.0 0.0 3.60 52 52 A 8 MET HA A 11 LEU HB3 1.0 0.0 3.73 53 53 A 87 GLU HA A 90 ARG HB3 1.0 0.0 4.23 54 54 A 82 GLU HA A 83 GLU H 1.0 0.0 3.56 55 55 A 8 MET HA A 11 LEU HB2 1.0 0.0 4.35 56 56 A 76 HIS HA A 79 ASN HB2 1.0 0.0 4.26 57 57 A 43 ALA HB% A 48 LEU HA 1.0 0.0 3.88 58 58 A 51 HIS HA A 54 GLN H 1.0 0.0 4.16 59 59 A 48 LEU HA A 47 GLU HA 1.0 0.0 4.94 60 60 A 48 LEU HA A 48 LEU HG 1.0 0.0 4.25 61 61 A 88 ALA HB% A 89 GLU HA 1.0 0.0 4.07 62 62 A 9 LEU HA A 9 LEU HDx% 1.0 0.0 4.30 63 63 A 48 LEU HD21 A 48 LEU HA 1.0 0.0 3.46 64 64 A 89 GLU HA A 89 GLU HGx 1.0 0.0 3.72 65 65 A 54 GLN HA A 54 GLN HGx 1.0 0.0 3.90 66 66 A 44 ASP HA A 14 LEU HB2 1.0 0.0 3.47 67 67 A 44 ASP HA A 11 LEU HB2 1.0 0.0 3.59 68 68 A 30 LEU HG A 30 LEU HA 1.0 0.0 3.90 69 69 A 44 ASP HA A 14 LEU HB3 1.0 0.0 3.61 70 70 A 44 ASP HA A 11 LEU HB3 1.0 0.0 4.37 71 71 A 44 ASP HA A 14 LEU HG 1.0 0.0 4.38 72 72 A 90 ARG HA A 90 ARG HG3 1.0 0.0 3.69 73 73 A 14 LEU HA A 17 ILE HG1x 1.0 0.0 4.21 74 74 A 22 LEU HA A 25 PHE HBy 1.0 0.0 4.24 75 75 A 14 LEU HB3 A 11 LEU HA 1.0 0.0 3.96 76 76 A 14 LEU HG A 14 LEU HA 1.0 0.0 4.10 77 77 A 14 LEU HA A 17 ILE HD1% 1.0 0.0 3.81 78 78 A 14 LEU HA A 14 LEU HD1% 1.0 0.0 3.77 79 79 A 11 LEU HA A 14 LEU H 1.0 0.0 4.49 80 80 A 22 LEU HA A 25 PHE HBx 1.0 0.0 4.24 81 81 A 50 ASP HA A 53 ILE HB 1.0 0.0 3.73 82 82 A 14 LEU HB2 A 11 LEU HA 1.0 0.0 3.66 83 83 A 11 LEU HA A 14 LEU HD2% 1.0 0.0 3.20 84 84 A 33 PHE HA A 35 ILE H 1.0 0.0 5.36 85 85 A 2 GLU HA A 1 MET HA 1.0 0.0 4.54 86 86 A 32 GLU HA A 34 GLN H 1.0 0.0 4.61 87 87 A 91 LYS HA A 93 MET H 1.0 0.0 5.10 88 88 A 22 LEU HA A 21 GLU HB3 1.0 0.0 4.83 89 89 A 76 HIS HA A 75 MET HA 1.0 0.0 4.74 90 90 A 75 MET HA A 75 MET HGy 1.0 0.0 4.18 91 91 A 75 MET HA A 78 ALA HB% 1.0 0.0 3.50 92 92 A 33 PHE HA A 33 PHE HD% 1.0 0.0 4.57 93 93 A 75 MET HA A 75 MET HGx 1.0 0.0 4.18 94 94 A 58 ALA HA A 62 VAL HG2% 1.0 0.0 3.82 95 95 A 67 ASN HA A 70 GLN HB3 1.0 0.0 4.25 96 96 A 78 ALA HA A 81 LEU H 1.0 0.0 5.16 97 97 A 78 ALA HA A 66 ILE HA 1.0 0.0 5.02 98 98 A 26 LYS HZ% A 40 LEU HA 1.0 0.0 4.71 99 99 A 49 ALA HA A 53 ILE H 1.0 0.0 5.12 100 100 A 67 ASN HA A 70 GLN HB2 1.0 0.0 5.07 101 101 A 68 ILE HG13 A 65 ALA HA 1.0 0.0 3.56 102 102 A 49 ALA HA A 61 ALA HB% 1.0 0.0 5.50 103 103 A 65 ALA HA A 68 ILE HD1% 1.0 0.0 3.91 104 104 A 65 ALA HA A 25 PHE HE% 1.0 0.0 4.38 105 105 A 79 ASN HA A 82 GLU HB3 1.0 0.0 3.68 106 106 A 61 ALA HA A 64 LYS HZ% 1.0 0.0 3.72 107 107 A 92 LEU HA A 92 LEU HG 1.0 0.0 3.88 108 108 A 64 LYS HZ% A 29 ALA HA 1.0 0.0 4.65 109 109 A 68 ILE HG12 A 29 ALA HA 1.0 0.0 4.71 110 110 A 59 ALA HA A 62 VAL HG1% 1.0 0.0 4.08 111 111 A 87 GLU HB3 A 88 ALA HA 1.0 0.0 4.41 112 112 A 43 ALA HA A 44 ASP H 1.0 0.0 3.55 113 113 A 43 ALA HA A 47 GLU HBx 1.0 0.0 4.34 114 114 A 14 LEU HG A 43 ALA HA 1.0 0.0 5.25 115 115 A 36 ALA HA A 37 ARG H 1.0 0.0 3.09 116 116 A 14 LEU HD2% A 13 GLY HA3 1.0 0.0 4.14 117 117 A 13 GLY HA2 A 77 ILE HG2% 1.0 0.0 3.96 118 118 A 13 GLY HA3 A 77 ILE HG2% 1.0 0.0 4.70 119 119 A 11 LEU H A 10 LEU HBx 1.0 0.0 4.53 120 120 A 72 LEU HB2 A 71 LYS H 1.0 0.0 4.35 121 121 A 30 LEU HB2 A 35 ILE H 1.0 0.0 4.60 122 122 A 35 ILE H A 30 LEU HB3 1.0 0.0 4.08 123 123 A 19 GLU HA A 22 LEU HBy 1.0 0.0 4.40 124 124 A 30 LEU HB2 A 35 ILE HG2% 1.0 0.0 4.30 125 125 A 14 LEU HB2 A 14 LEU H 1.0 0.0 3.98 126 126 A 19 GLU HA A 22 LEU HBx 1.0 0.0 4.40 127 127 A 11 LEU HB2 A 14 LEU HB2 1.0 0.0 4.12 128 128 A 14 LEU HB2 A 14 LEU HD2% 1.0 0.0 3.61 129 129 A 11 LEU HB3 A 11 LEU HD21 1.0 0.0 3.54 130 130 A 28 PHE HB3 A 72 LEU HG 1.0 0.0 5.00 131 131 A 28 PHE HB3 A 68 ILE HG2% 1.0 0.0 3.99 132 132 A 28 PHE HB2 A 68 ILE HG2% 1.0 0.0 3.99 133 133 A 51 HIS H A 50 ASP HBy 1.0 0.0 4.20 134 134 A 50 ASP H A 50 ASP HBy 1.0 0.0 3.84 135 135 A 21 GLU HB3 A 17 ILE HB 1.0 0.0 4.32 136 136 A 26 LYS H A 25 PHE HBy 1.0 0.0 4.68 137 137 A 26 LYS H A 25 PHE HBx 1.0 0.0 4.68 138 138 A 17 ILE HD1% A 25 PHE HBy 1.0 0.0 4.21 139 139 A 52 LEU HB2 A 52 LEU HD2% 1.0 0.0 4.20 140 140 A 68 ILE H A 67 ASN HBy 1.0 0.0 4.31 141 141 A 64 LYS HA A 67 ASN HBy 1.0 0.0 4.09 142 142 A 79 ASN H A 79 ASN HB3 1.0 0.0 3.80 143 143 A 68 ILE H A 67 ASN HBx 1.0 0.0 4.31 144 144 A 76 HIS HA A 79 ASN HB3 1.0 0.0 4.15 145 145 A 78 ALA HB% A 69 PHE HB2 1.0 0.0 4.20 146 146 A 5 TYR HBy A 62 VAL HG1% 1.0 0.0 4.27 147 147 A 68 ILE HB A 69 PHE H 1.0 0.0 4.94 148 148 A 79 ASN HB3 A 80 ALA HA 1.0 0.0 4.43 149 149 A 24 ARG HA A 27 TYR HBy 1.0 0.0 3.60 150 150 A 54 GLN H A 53 ILE HB 1.0 0.0 4.32 151 151 A 89 GLU H A 89 GLU HGx 1.0 0.0 4.32 152 152 A 89 GLU H A 89 GLU HGy 1.0 0.0 4.32 153 153 A 89 GLU HA A 89 GLU HGy 1.0 0.0 3.72 154 154 A 90 ARG HG2 A 87 GLU HGx 1.0 0.0 3.96 155 155 A 90 ARG HG2 A 87 GLU HGy 1.0 0.0 3.96 156 156 A 54 GLN H A 54 GLN HGy 1.0 0.0 4.73 157 157 A 54 GLN HA A 54 GLN HGy 1.0 0.0 3.90 158 158 A 54 GLN H A 54 GLN HGx 1.0 0.0 4.73 159 159 A 46 THR H A 45 ARG HBx 1.0 0.0 3.75 160 160 A 27 TYR HA A 26 LYS HBx 1.0 0.0 5.08 161 161 A 8 MET H A 8 MET HBy 1.0 0.0 3.62 162 162 A 75 MET H A 75 MET HGx 1.0 0.0 4.40 163 163 A 1 MET HA A 1 MET HGx 1.0 0.0 3.99 164 164 A 1 MET HA A 1 MET HGy 1.0 0.0 3.99 165 165 A 65 ALA HB% A 66 ILE HG13 1.0 0.0 5.37 166 166 A 78 ALA HB% A 66 ILE HG13 1.0 0.0 5.50 167 167 A 59 ALA HA A 62 VAL HB 1.0 0.0 4.18 168 168 A 21 GLU HB3 A 24 ARG H 1.0 0.0 5.14 169 169 A 21 GLU HB3 A 17 ILE HG2% 1.0 0.0 4.03 170 170 A 88 ALA HA A 91 LYS HDy 1.0 0.0 3.76 171 171 A 88 ALA HB% A 91 LYS HDy 1.0 0.0 3.94 172 172 A 91 LYS HDy A 91 LYS HG3 1.0 0.0 2.69 173 173 A 83 GLU H A 82 GLU HB3 1.0 0.0 4.52 174 174 A 44 ASP H A 47 GLU HBx 1.0 0.0 4.90 175 175 A 91 LYS HA A 91 LYS HDy 1.0 0.0 4.75 176 176 A 2 GLU HB3 A 58 ALA HB% 1.0 0.0 4.15 177 177 A 87 GLU HB3 A 91 LYS HG3 1.0 0.0 4.03 178 178 A 88 ALA HB% A 87 GLU HB3 1.0 0.0 4.95 179 179 A 77 ILE HD1% A 16 HIS HBx 1.0 0.0 4.54 180 180 A 7 GLU H A 7 GLU HB3 1.0 0.0 3.24 181 181 A 1 MET HA A 2 GLU HB3 1.0 0.0 4.90 182 182 A 47 GLU HBx A 42 VAL HB 1.0 0.0 3.89 183 183 A 2 GLU HA A 2 GLU HB3 1.0 0.0 2.85 184 184 A 7 GLU HB3 A 9 LEU H 1.0 0.0 4.78 185 185 A 5 TYR H A 4 GLU HBy 1.0 0.0 4.43 186 186 A 48 LEU HG A 43 ALA HA 1.0 0.0 4.23 187 187 A 5 TYR H A 4 GLU HBx 1.0 0.0 4.43 188 188 A 48 LEU HG A 48 LEU H 1.0 0.0 4.86 189 189 A 51 HIS HB3 A 52 LEU H 1.0 0.0 4.25 190 190 A 77 ILE H A 77 ILE HG1x 1.0 0.0 4.75 191 191 A 8 MET HA A 11 LEU HG 1.0 0.0 4.30 192 192 A 78 ALA H A 70 GLN HB3 1.0 0.0 4.98 193 193 A 90 ARG HG2 A 90 ARG H 1.0 0.0 4.24 194 194 A 24 ARG H A 24 ARG HGx 1.0 0.0 4.44 195 195 A 24 ARG H A 24 ARG HGy 1.0 0.0 4.44 196 196 A 70 GLN HB2 A 71 LYS HA 1.0 0.0 4.81 197 197 A 90 ARG HG2 A 91 LYS HG3 1.0 0.0 4.05 198 198 A 90 ARG HG3 A 91 LYS HA 1.0 0.0 4.49 199 199 A 9 LEU HA A 9 LEU HG 1.0 0.0 4.25 200 200 A 92 LEU HG A 59 ALA HB% 1.0 0.0 4.09 201 201 A 87 GLU HA A 90 ARG HG3 1.0 0.0 4.18 202 202 A 88 ALA HA A 91 LYS HG3 1.0 0.0 3.80 203 203 A 91 LYS HG3 A 88 ALA H 1.0 0.0 4.50 204 204 A 63 THR H A 62 VAL HG1% 1.0 0.0 4.21 205 205 A 62 VAL HG1% A 65 ALA H 1.0 0.0 4.93 206 206 A 62 VAL HG1% A 6 ARG H 1.0 0.0 5.03 207 207 A 62 VAL HG1% A 9 LEU H 1.0 0.0 5.01 208 208 A 91 LYS HG3 A 91 LYS H 1.0 0.0 4.39 209 209 A 62 VAL HG1% A 62 VAL H 1.0 0.0 3.84 210 210 A 5 TYR HD% A 62 VAL HG1% 1.0 0.0 3.48 211 211 A 62 VAL HG1% A 5 TYR HE% 1.0 0.0 4.43 212 212 A 5 TYR HA A 62 VAL HG1% 1.0 0.0 4.84 213 213 A 9 LEU HA A 62 VAL HG1% 1.0 0.0 4.85 214 214 A 62 VAL HG1% A 62 VAL HA 1.0 0.0 3.30 215 215 A 35 ILE HD1% A 30 LEU HDy% 1.0 0.0 4.17 216 216 A 91 LYS HA A 91 LYS HG3 1.0 0.0 4.15 217 217 A 56 ALA HB% A 61 ALA H 1.0 0.0 3.97 218 218 A 56 ALA HB% A 56 ALA H 1.0 0.0 3.40 219 219 A 56 ALA HB% A 64 LYS HZ% 1.0 0.0 3.92 220 220 A 56 ALA HB% A 61 ALA HA 1.0 0.0 3.87 221 221 A 56 ALA HB% A 60 SER HBx 1.0 0.0 3.70 222 222 A 9 LEU HA A 9 LEU HDy% 1.0 0.0 4.30 223 223 A 43 ALA HB% A 49 ALA H 1.0 0.0 4.77 224 224 A 43 ALA HB% A 42 VAL H 1.0 0.0 4.42 225 225 A 45 ARG H A 43 ALA HB% 1.0 0.0 4.56 226 226 A 42 VAL HG2% A 47 GLU H 1.0 0.0 4.60 227 227 A 43 ALA HB% A 44 ASP H 1.0 0.0 3.64 228 228 A 43 ALA HB% A 43 ALA H 1.0 0.0 3.24 229 229 A 44 ASP HA A 43 ALA HB% 1.0 0.0 3.72 230 230 A 36 ALA HB% A 37 ARG HA 1.0 0.0 4.61 231 231 A 43 ALA HB% A 48 LEU HG 1.0 0.0 3.55 232 232 A 43 ALA HB% A 47 GLU HBx 1.0 0.0 3.84 233 233 A 43 ALA HB% A 14 LEU HB3 1.0 0.0 4.67 234 234 A 43 ALA HB% A 14 LEU HG 1.0 0.0 4.36 235 235 A 43 ALA HB% A 14 LEU HD2% 1.0 0.0 3.65 236 236 A 48 LEU HD21 A 43 ALA HB% 1.0 0.0 4.01 237 237 A 36 ALA HB% A 37 ARG H 1.0 0.0 3.53 238 238 A 36 ALA HB% A 38 SER H 1.0 0.0 3.66 239 239 A 43 ALA HB% A 48 LEU H 1.0 0.0 4.31 240 240 A 58 ALA HB% A 59 ALA H 1.0 0.0 3.45 241 241 A 36 ALA HB% A 36 ALA H 1.0 0.0 3.06 242 242 A 36 ALA HB% A 35 ILE HG2% 1.0 0.0 4.46 243 243 A 36 ALA HB% A 39 THR HG1 1.0 0.0 4.62 244 244 A 58 ALA HB% A 58 ALA H 1.0 0.0 3.35 245 245 A 52 LEU HD2% A 52 LEU H 1.0 0.0 4.03 246 246 A 28 PHE HD% A 68 ILE HG2% 1.0 0.0 4.28 247 247 A 5 TYR HD% A 58 ALA HB% 1.0 0.0 4.62 248 248 A 64 LYS HZ% A 52 LEU HD2% 1.0 0.0 4.26 249 249 A 25 PHE HD% A 68 ILE HG2% 1.0 0.0 4.11 250 250 A 25 PHE HE% A 68 ILE HG2% 1.0 0.0 4.41 251 251 A 36 ALA HB% A 39 THR HA 1.0 0.0 5.03 252 252 A 65 ALA HA A 52 LEU HD2% 1.0 0.0 5.38 253 253 A 25 PHE HA A 68 ILE HG2% 1.0 0.0 4.02 254 254 A 52 LEU HD2% A 52 LEU HA 1.0 0.0 4.14 255 255 A 68 ILE HA A 68 ILE HG2% 1.0 0.0 3.75 256 256 A 52 LEU HD2% A 51 HIS HB3 1.0 0.0 4.69 257 257 A 78 ALA HB% A 70 GLN HB3 1.0 0.0 3.63 258 258 A 52 LEU HD2% A 52 LEU HB3 1.0 0.0 3.22 259 259 A 68 ILE HG12 A 68 ILE HG2% 1.0 0.0 3.87 260 260 A 68 ILE HG13 A 68 ILE HG2% 1.0 0.0 3.32 261 261 A 61 ALA HB% A 52 LEU HD2% 1.0 0.0 4.26 262 262 A 52 LEU HD2% A 49 ALA HB% 1.0 0.0 4.57 263 263 A 68 ILE HG2% A 29 ALA HB% 1.0 0.0 4.29 264 264 A 52 LEU HD2% A 29 ALA HB% 1.0 0.0 4.22 265 265 A 48 LEU HD21 A 52 LEU HD2% 1.0 0.0 3.26 266 266 A 72 LEU HG A 68 ILE HG2% 1.0 0.0 3.31 267 267 A 68 ILE HD1% A 52 LEU HD2% 1.0 0.0 5.50 268 268 A 42 VAL HG2% A 45 ARG H 1.0 0.0 4.83 269 269 A 42 VAL HG2% A 43 ALA H 1.0 0.0 4.20 270 270 A 69 PHE HD% A 78 ALA HB% 1.0 0.0 3.94 271 271 A 25 PHE HE% A 52 LEU HD2% 1.0 0.0 5.00 272 272 A 42 VAL HG2% A 43 ALA HA 1.0 0.0 4.30 273 273 A 65 ALA HA A 68 ILE HG2% 1.0 0.0 4.92 274 274 A 68 ILE HG2% A 72 LEU HA 1.0 0.0 5.25 275 275 A 78 ALA HB% A 70 GLN HGy 1.0 0.0 4.41 276 276 A 42 VAL HG2% A 47 GLU HBx 1.0 0.0 4.00 277 277 A 42 VAL HG2% A 43 ALA HB% 1.0 0.0 4.42 278 278 A 78 ALA HB% A 70 GLN H 1.0 0.0 3.52 279 279 A 78 ALA H A 78 ALA HB% 1.0 0.0 3.28 280 280 A 42 VAL HG2% A 44 ASP H 1.0 0.0 4.81 281 281 A 42 VAL HG2% A 41 ASP HA 1.0 0.0 5.25 282 282 A 78 ALA HB% A 69 PHE HB3 1.0 0.0 3.56 283 283 A 78 ALA HB% A 70 GLN HGx 1.0 0.0 4.41 284 284 A 52 LEU HB2 A 61 ALA HB% 1.0 0.0 3.31 285 285 A 61 ALA HB% A 62 VAL H 1.0 0.0 3.50 286 286 A 61 ALA HB% A 64 LYS HZ% 1.0 0.0 3.69 287 287 A 70 GLN HA A 78 ALA HB% 1.0 0.0 3.84 288 288 A 78 ALA HB% A 66 ILE HA 1.0 0.0 4.14 289 289 A 53 ILE HA A 61 ALA HB% 1.0 0.0 3.48 290 290 A 88 ALA HB% A 84 LYS HBy 1.0 0.0 3.98 291 291 A 61 ALA HB% A 52 LEU HG 1.0 0.0 4.20 292 292 A 81 LEU H A 80 ALA HB% 1.0 0.0 3.47 293 293 A 88 ALA HB% A 88 ALA H 1.0 0.0 3.08 294 294 A 80 ALA HB% A 80 ALA H 1.0 0.0 3.18 295 295 A 65 ALA HB% A 62 VAL H 1.0 0.0 4.85 296 296 A 65 ALA HB% A 67 ASN H 1.0 0.0 5.26 297 297 A 64 LYS HZ% A 65 ALA HB% 1.0 0.0 4.00 298 298 A 25 PHE HE% A 65 ALA HB% 1.0 0.0 4.29 299 299 A 65 ALA HB% A 62 VAL HA 1.0 0.0 3.48 300 300 A 80 ALA HB% A 77 ILE HA 1.0 0.0 3.51 301 301 A 65 ALA HB% A 66 ILE HG12 1.0 0.0 4.12 302 302 A 68 ILE HD1% A 65 ALA HB% 1.0 0.0 4.20 303 303 A 59 ALA HB% A 61 ALA H 1.0 0.0 5.13 304 304 A 77 ILE HG2% A 17 ILE HG2% 1.0 0.0 4.41 305 305 A 18 THR H A 17 ILE HG2% 1.0 0.0 4.23 306 306 A 59 ALA HB% A 59 ALA H 1.0 0.0 3.05 307 307 A 17 ILE HG2% A 17 ILE H 1.0 0.0 3.56 308 308 A 59 ALA HB% A 5 TYR HE% 1.0 0.0 3.91 309 309 A 17 ILE HG2% A 17 ILE HA 1.0 0.0 3.50 310 310 A 60 SER HA A 59 ALA HB% 1.0 0.0 4.33 311 311 A 62 VAL HB A 59 ALA HB% 1.0 0.0 4.24 312 312 A 58 ALA HB% A 59 ALA HB% 1.0 0.0 3.46 313 313 A 17 ILE HG1x A 17 ILE HG2% 1.0 0.0 3.49 314 314 A 14 LEU HA A 17 ILE HG2% 1.0 0.0 4.45 315 315 A 66 ILE H A 66 ILE HG2% 1.0 0.0 4.03 316 316 A 66 ILE HG2% A 82 GLU H 1.0 0.0 4.53 317 317 A 49 ALA H A 49 ALA HB% 1.0 0.0 3.18 318 318 A 67 ASN HA A 66 ILE HG2% 1.0 0.0 4.40 319 319 A 79 ASN HA A 66 ILE HG2% 1.0 0.0 4.77 320 320 A 82 GLU HA A 66 ILE HG2% 1.0 0.0 3.99 321 321 A 66 ILE HA A 66 ILE HG2% 1.0 0.0 3.63 322 322 A 70 GLN HB3 A 66 ILE HG2% 1.0 0.0 3.77 323 323 A 82 GLU HB3 A 66 ILE HG2% 1.0 0.0 3.13 324 324 A 78 ALA HB% A 66 ILE HG2% 1.0 0.0 3.25 325 325 A 51 HIS H A 49 ALA HB% 1.0 0.0 4.35 326 326 A 29 ALA HB% A 28 PHE H 1.0 0.0 4.46 327 327 A 30 LEU H A 29 ALA HB% 1.0 0.0 3.39 328 328 A 28 PHE HB3 A 29 ALA HB% 1.0 0.0 4.07 329 329 A 68 ILE HB A 29 ALA HB% 1.0 0.0 4.52 330 330 A 52 LEU HB3 A 29 ALA HB% 1.0 0.0 4.97 331 331 A 68 ILE HG12 A 29 ALA HB% 1.0 0.0 5.30 332 332 A 29 ALA HB% A 29 ALA H 1.0 0.0 3.28 333 333 A 35 ILE HG2% A 35 ILE H 1.0 0.0 3.85 334 334 A 64 LYS HZ% A 29 ALA HB% 1.0 0.0 4.07 335 335 A 25 PHE HE% A 29 ALA HB% 1.0 0.0 3.99 336 336 A 35 ILE HG2% A 35 ILE HA 1.0 0.0 3.60 337 337 A 35 ILE HG2% A 36 ALA HA 1.0 0.0 4.14 338 338 A 26 LYS HA A 29 ALA HB% 1.0 0.0 3.59 339 339 A 58 ALA HA A 53 ILE HG1y 1.0 0.0 3.87 340 340 A 62 VAL HG2% A 53 ILE HG1y 1.0 0.0 4.21 341 341 A 78 ALA HA A 77 ILE HG2% 1.0 0.0 4.16 342 342 A 77 ILE HG2% A 77 ILE HA 1.0 0.0 3.51 343 343 A 78 ALA HB% A 77 ILE HG2% 1.0 0.0 3.83 344 344 A 77 ILE HG2% A 77 ILE HG1x 1.0 0.0 3.86 345 345 A 77 ILE HG2% A 77 ILE HG1y 1.0 0.0 3.86 346 346 A 69 PHE HD% A 77 ILE HG2% 1.0 0.0 4.38 347 347 A 77 ILE HG2% A 69 PHE HE% 1.0 0.0 4.39 348 348 A 66 ILE HD1% A 78 ALA HA 1.0 0.0 4.12 349 349 A 66 ILE HD1% A 66 ILE H 1.0 0.0 3.99 350 350 A 66 ILE HD1% A 70 GLN HB3 1.0 0.0 4.76 351 351 A 66 ILE HD1% A 78 ALA HB% 1.0 0.0 3.47 352 352 A 66 ILE HD1% A 66 ILE HA 1.0 0.0 4.01 353 353 A 51 HIS HB3 A 35 ILE HD1% 1.0 0.0 3.64 354 354 A 35 ILE H A 35 ILE HD1% 1.0 0.0 4.12 355 355 A 35 ILE HD1% A 35 ILE HA 1.0 0.0 4.12 356 356 A 35 ILE HD1% A 52 LEU HA 1.0 0.0 4.33 357 357 A 35 ILE HD1% A 51 HIS HB2 1.0 0.0 4.31 358 358 A 35 ILE HD1% A 52 LEU HB3 1.0 0.0 4.36 359 359 A 35 ILE HD1% A 35 ILE HB 1.0 0.0 3.11 360 360 A 35 ILE HD1% A 30 LEU HDx% 1.0 0.0 4.17 361 361 A 35 ILE HG2% A 35 ILE HD1% 1.0 0.0 3.39 362 362 A 22 LEU H A 17 ILE HD1% 1.0 0.0 4.25 363 363 A 17 ILE HD1% A 25 PHE H 1.0 0.0 4.64 364 364 A 68 ILE HD1% A 68 ILE H 1.0 0.0 4.18 365 365 A 30 LEU H A 68 ILE HD1% 1.0 0.0 5.27 366 366 A 68 ILE HD1% A 67 ASN H 1.0 0.0 5.50 367 367 A 17 ILE HD1% A 17 ILE H 1.0 0.0 3.65 368 368 A 68 ILE HD1% A 64 LYS HZ% 1.0 0.0 3.63 369 369 A 25 PHE HD% A 17 ILE HD1% 1.0 0.0 3.84 370 370 A 17 ILE HD1% A 17 ILE HA 1.0 0.0 4.41 371 371 A 22 LEU HA A 17 ILE HD1% 1.0 0.0 3.45 372 372 A 68 ILE HD1% A 29 ALA HA 1.0 0.0 3.45 373 373 A 17 ILE HD1% A 25 PHE HBx 1.0 0.0 4.21 374 374 A 68 ILE HA A 68 ILE HD1% 1.0 0.0 4.27 375 375 A 68 ILE HD1% A 28 PHE HB3 1.0 0.0 4.04 376 376 A 17 ILE HD1% A 17 ILE HB 1.0 0.0 3.67 377 377 A 17 ILE HD1% A 21 GLU HB3 1.0 0.0 3.86 378 378 A 68 ILE HD1% A 29 ALA HB% 1.0 0.0 3.58 379 379 A 68 ILE HD1% A 64 LYS HB2 1.0 0.0 4.20 380 380 A 17 ILE HD1% A 14 LEU HD1% 1.0 0.0 3.66 381 381 A 68 ILE HD1% A 29 ALA H 1.0 0.0 4.33 382 382 A 68 ILE HD1% A 25 PHE HE% 1.0 0.0 4.39 383 383 A 68 ILE HD1% A 68 ILE HB 1.0 0.0 4.07 384 384 A 77 ILE HD1% A 74 TYR HD% 1.0 0.0 4.49 385 385 A 77 ILE HD1% A 74 TYR HBx 1.0 0.0 4.45 386 386 A 77 ILE HD1% A 16 HIS HBy 1.0 0.0 4.54 387 387 A 77 ILE HD1% A 77 ILE H 1.0 0.0 4.07 388 388 A 77 ILE HD1% A 69 PHE HE% 1.0 0.0 5.05 389 389 A 77 ILE HD1% A 74 TYR HE% 1.0 0.0 5.33 390 390 A 77 ILE HD1% A 77 ILE HA 1.0 0.0 3.78 391 391 A 77 ILE HD1% A 74 TYR HBy 1.0 0.0 4.45 392 392 A 77 ILE HD1% A 77 ILE HB 1.0 0.0 3.65 393 393 A 77 ILE HG2% A 77 ILE HD1% 1.0 0.0 3.33 394 394 A 13 GLY HA2 A 77 ILE HD1% 1.0 0.0 4.77 395 395 A 53 ILE H A 52 LEU HB3 1.0 0.0 4.71 396 396 A 77 ILE HB A 74 TYR HBx 1.0 0.0 4.67 397 397 A 77 ILE HB A 74 TYR HBy 1.0 0.0 4.67 398 398 A 63 THR HA A 63 THR HG1 1.0 0.0 3.51 399 399 A 66 ILE HB A 63 THR HA 1.0 0.0 4.84 400 400 A 12 THR H A 12 THR HB 1.0 0.0 3.63 401 401 A 77 ILE H A 74 TYR HBy 1.0 0.0 4.65 402 402 A 68 ILE HD1% A 64 LYS HB3 1.0 0.0 5.35 403 403 A 17 ILE HG2% A 21 GLU HB2 1.0 0.0 5.18 404 404 A 17 ILE HD1% A 21 GLU HB2 1.0 0.0 5.36 405 405 A 48 LEU HD21 A 51 HIS HB2 1.0 0.0 4.60 406 406 A 48 LEU HA A 51 HIS HB2 1.0 0.0 4.44 407 407 A 48 LEU HA A 51 HIS HB3 1.0 0.0 4.75 408 408 A 51 HIS HB3 A 30 LEU HDx% 1.0 0.0 4.94 409 409 A 48 LEU HD21 A 51 HIS HB3 1.0 0.0 5.26 410 410 A 7 GLU H A 6 ARG HGy 1.0 0.0 5.50 411 411 A 90 ARG HG3 A 91 LYS HZ% 1.0 0.0 5.50 412 412 A 69 PHE HA A 72 LEU HG 1.0 0.0 4.14 413 413 A 72 LEU HG A 72 LEU HA 1.0 0.0 3.69 414 414 A 25 PHE HA A 72 LEU HG 1.0 0.0 3.74 415 415 A 64 LYS HZ% A 64 LYS HGy 1.0 0.0 3.95 416 416 A 25 PHE HD% A 72 LEU HG 1.0 0.0 4.05 417 417 A 28 PHE HD% A 72 LEU HG 1.0 0.0 4.95 418 418 A 69 PHE HD% A 72 LEU HG 1.0 0.0 5.25 419 419 A 62 VAL HG2% A 7 GLU H 1.0 0.0 4.98 420 420 A 62 VAL HG2% A 64 LYS HZ% 1.0 0.0 5.42 421 421 A 62 VAL HG2% A 52 LEU HG 1.0 0.0 5.38 422 422 A 62 VAL HG2% A 61 ALA H 1.0 0.0 4.56 423 423 A 62 VAL HG2% A 62 VAL H 1.0 0.0 4.08 424 424 A 62 VAL HG2% A 5 TYR HD% 1.0 0.0 4.22 425 425 A 62 VAL HG2% A 62 VAL HA 1.0 0.0 3.37 426 426 A 62 VAL HG2% A 5 TYR HBy 1.0 0.0 4.38 427 427 A 62 VAL HG2% A 59 ALA HA 1.0 0.0 4.55 428 428 A 62 VAL HG2% A 6 ARG H 1.0 0.0 4.56 429 429 A 58 ALA HA A 53 ILE HG1x 1.0 0.0 3.87 430 430 A 62 VAL HG2% A 53 ILE HG1x 1.0 0.0 4.21 431 431 A 72 LEU HB2 A 72 LEU HG 1.0 0.0 2.93 432 432 A 65 ALA HB% A 64 LYS HGy 1.0 0.0 4.01 433 433 A 64 LYS HB3 A 64 LYS HGy 1.0 0.0 2.85 434 434 A 66 ILE HA A 69 PHE HB3 1.0 0.0 4.39 435 435 A 66 ILE HA A 69 PHE HB2 1.0 0.0 4.59 436 436 A 11 LEU HD21 A 15 ASP HBx 1.0 0.0 5.50 437 437 A 11 LEU HD21 A 15 ASP HBy 1.0 0.0 5.50 438 438 A 27 TYR HBy A 26 LYS HBx 1.0 0.0 5.50 439 439 A 70 GLN HB2 A 69 PHE HB3 1.0 0.0 5.50 440 440 A 27 TYR HBy A 26 LYS HBy 1.0 0.0 5.50 441 441 A 27 TYR HBy A 31 THR HG2% 1.0 0.0 5.47 442 442 A 66 ILE HD1% A 69 PHE HB3 1.0 0.0 4.81 443 443 A 54 GLN HA A 53 ILE HB 1.0 0.0 5.41 444 444 A 58 ALA HA A 53 ILE HB 1.0 0.0 5.50 445 445 A 30 LEU HA A 30 LEU HDx% 1.0 0.0 4.12 446 446 A 39 THR HB A 39 THR H 1.0 0.0 3.76 447 447 A 39 THR HB A 40 LEU H 1.0 0.0 4.23 448 448 A 39 THR HB A 41 ASP H 1.0 0.0 5.30 449 449 A 11 LEU H A 10 LEU HBy 1.0 0.0 4.53 450 450 A 51 HIS HB3 A 30 LEU HDy% 1.0 0.0 4.94 451 451 A 30 LEU HA A 30 LEU HDy% 1.0 0.0 4.12 452 452 A 49 ALA HA A 52 LEU HG 1.0 0.0 3.91 453 453 A 49 ALA HB% A 52 LEU HG 1.0 0.0 4.02 454 454 A 53 ILE HB A 52 LEU HG 1.0 0.0 4.55 455 455 A 64 LYS HZ% A 52 LEU HG 1.0 0.0 5.22 456 456 A 53 ILE H A 52 LEU HG 1.0 0.0 5.06 457 457 A 28 PHE HB3 A 31 THR HG2% 1.0 0.0 5.13 458 458 A 28 PHE HB2 A 31 THR HG2% 1.0 0.0 5.29 459 459 A 31 THR HG2% A 31 THR HA 1.0 0.0 2.66 460 460 A 33 PHE HD% A 31 THR HG2% 1.0 0.0 5.45 461 461 A 31 THR HG2% A 33 PHE H 1.0 0.0 4.99 462 462 A 28 PHE HD% A 31 THR HG2% 1.0 0.0 4.96 463 463 A 31 THR HG2% A 31 THR H 1.0 0.0 3.60 464 464 A 62 VAL HG2% A 5 TYR HE% 1.0 0.0 4.71 465 465 A 42 VAL HB A 43 ALA H 1.0 0.0 4.43 466 466 A 44 ASP H A 42 VAL HB 1.0 0.0 4.93 467 467 A 23 LYS H A 23 LYS HEy 1.0 0.0 5.50 468 468 A 23 LYS H A 23 LYS HEx 1.0 0.0 5.50 469 469 A 23 LYS H A 22 LEU HBx 1.0 0.0 4.73 470 470 A 14 LEU HB2 A 12 THR H 1.0 0.0 5.42 471 471 A 30 LEU HB2 A 31 THR H 1.0 0.0 4.44 472 472 A 41 ASP H A 40 LEU HBy 1.0 0.0 4.76 473 473 A 14 LEU HD2% A 13 GLY HA2 1.0 0.0 5.02 474 474 A 5 TYR HD% A 59 ALA HA 1.0 0.0 4.91 475 475 A 59 ALA HA A 58 ALA HB% 1.0 0.0 4.56 476 476 A 33 PHE HD% A 52 LEU HA 1.0 0.0 5.44 477 477 A 26 LYS HA A 26 LYS HZ% 1.0 0.0 4.85 478 478 A 6 ARG HA A 9 LEU H 1.0 0.0 4.85 479 479 A 69 PHE HD% A 66 ILE HA 1.0 0.0 4.39 480 480 A 36 ALA HB% A 35 ILE HD1% 1.0 0.0 5.11 481 481 A 28 PHE HB2 A 72 LEU HG 1.0 0.0 4.08 482 482 A 64 LYS HGy A 64 LYS H 1.0 0.0 4.18 483 483 A 22 LEU H A 22 LEU HG 1.0 0.0 4.55 484 484 A 63 THR H A 64 LYS HGy 1.0 0.0 4.48 485 485 A 23 LYS H A 22 LEU HG 1.0 0.0 5.33 486 486 A 72 LEU HG A 29 ALA H 1.0 0.0 5.50 487 487 A 78 ALA H A 66 ILE HG2% 1.0 0.0 5.50 488 488 A 61 ALA HB% A 52 LEU HB3 1.0 0.0 4.43 489 489 A 37 ARG H A 36 ALA H 1.0 0.0 4.65 490 490 A 83 GLU H A 82 GLU H 1.0 0.0 3.51 491 491 A 83 GLU H A 81 LEU H 1.0 0.0 4.32 492 492 A 2 GLU H A 3 SER H 1.0 0.0 3.51 493 493 A 22 LEU H A 23 LYS H 1.0 0.0 3.97 494 494 A 22 LEU H A 21 GLU H 1.0 0.0 3.92 495 495 A 50 ASP H A 49 ALA H 1.0 0.0 3.71 496 496 A 5 TYR H A 4 GLU H 1.0 0.0 3.56 497 497 A 89 GLU H A 90 ARG H 1.0 0.0 3.56 498 498 A 89 GLU H A 91 LYS H 1.0 0.0 3.86 499 499 A 53 ILE H A 52 LEU H 1.0 0.0 3.86 500 500 A 8 MET H A 9 LEU H 1.0 0.0 3.66 501 501 A 84 LYS H A 84 LYS HZ% 1.0 0.0 4.97 502 502 A 93 MET H A 92 LEU H 1.0 0.0 3.15 503 503 A 90 ARG H A 88 ALA H 1.0 0.0 4.65 504 504 A 72 LEU H A 74 TYR H 1.0 0.0 5.00 505 505 A 68 ILE H A 66 ILE H 1.0 0.0 4.57 506 506 A 54 GLN H A 55 SER H 1.0 0.0 3.76 507 507 A 56 ALA H A 55 SER H 1.0 0.0 3.73 508 508 A 18 THR H A 21 GLU H 1.0 0.0 3.80 509 509 A 23 LYS H A 21 GLU H 1.0 0.0 4.59 510 510 A 22 LEU H A 18 THR H 1.0 0.0 4.77 511 511 A 11 LEU H A 12 THR H 1.0 0.0 3.84 512 512 A 12 THR H A 13 GLY H 1.0 0.0 3.58 513 513 A 14 LEU H A 13 GLY H 1.0 0.0 4.02 514 514 A 13 GLY H A 15 ASP H 1.0 0.0 4.91 515 515 A 17 ILE H A 15 ASP H 1.0 0.0 5.49 516 516 A 17 ILE H A 16 HIS H 1.0 0.0 3.66 517 517 A 15 ASP H A 16 HIS H 1.0 0.0 4.02 518 518 A 19 GLU H A 18 THR H 1.0 0.0 4.59 519 519 A 45 ARG H A 47 GLU H 1.0 0.0 4.22 520 520 A 44 ASP H A 48 LEU H 1.0 0.0 5.16 521 521 A 45 ARG H A 46 THR H 1.0 0.0 3.81 522 522 A 24 ARG H A 25 PHE H 1.0 0.0 3.77 523 523 A 23 LYS H A 24 ARG H 1.0 0.0 3.76 524 524 A 25 PHE HD% A 25 PHE H 1.0 0.0 4.42 525 525 A 25 PHE HD% A 26 LYS H 1.0 0.0 4.50 526 526 A 27 TYR HD% A 27 TYR H 1.0 0.0 4.51 527 527 A 26 LYS H A 27 TYR H 1.0 0.0 3.85 528 528 A 28 PHE HD% A 28 PHE H 1.0 0.0 4.03 529 529 A 27 TYR HD% A 28 PHE H 1.0 0.0 4.52 530 530 A 75 MET H A 76 HIS H 1.0 0.0 4.12 531 531 A 28 PHE H A 29 ALA H 1.0 0.0 3.71 532 532 A 30 LEU H A 29 ALA H 1.0 0.0 3.92 533 533 A 30 LEU H A 31 THR H 1.0 0.0 4.02 534 534 A 31 THR H A 32 GLU H 1.0 0.0 3.59 535 535 A 33 PHE H A 32 GLU H 1.0 0.0 3.84 536 536 A 33 PHE HD% A 32 GLU H 1.0 0.0 4.40 537 537 A 34 GLN H A 33 PHE H 1.0 0.0 4.11 538 538 A 33 PHE HD% A 33 PHE H 1.0 0.0 3.90 539 539 A 35 ILE H A 36 ALA H 1.0 0.0 4.71 540 540 A 35 ILE H A 34 GLN H 1.0 0.0 4.05 541 541 A 37 ARG H A 38 SER H 1.0 0.0 3.75 542 542 A 38 SER H A 36 ALA H 1.0 0.0 5.50 543 543 A 38 SER H A 39 THR H 1.0 0.0 3.91 544 544 A 39 THR H A 40 LEU H 1.0 0.0 3.69 545 545 A 40 LEU H A 41 ASP H 1.0 0.0 3.78 546 546 A 54 GLN H A 56 ALA H 1.0 0.0 5.07 547 547 A 58 ALA H A 57 GLY H 1.0 0.0 4.40 548 548 A 55 SER H A 57 GLY H 1.0 0.0 4.73 549 549 A 59 ALA H A 58 ALA H 1.0 0.0 4.00 550 550 A 60 SER H A 61 ALA H 1.0 0.0 3.55 551 551 A 62 VAL H A 61 ALA H 1.0 0.0 3.70 552 552 A 65 ALA H A 64 LYS H 1.0 0.0 3.32 553 553 A 63 THR H A 62 VAL H 1.0 0.0 3.75 554 554 A 60 SER H A 62 VAL H 1.0 0.0 4.76 555 555 A 67 ASN H A 66 ILE H 1.0 0.0 3.86 556 556 A 68 ILE H A 67 ASN H 1.0 0.0 3.91 557 557 A 68 ILE H A 69 PHE H 1.0 0.0 3.92 558 558 A 69 PHE HD% A 69 PHE H 1.0 0.0 4.43 559 559 A 71 LYS H A 72 LEU H 1.0 0.0 3.90 560 560 A 74 TYR H A 73 ASN H 1.0 0.0 3.58 561 561 A 72 LEU H A 73 ASN H 1.0 0.0 3.20 562 562 A 75 MET H A 74 TYR H 1.0 0.0 4.60 563 563 A 77 ILE H A 76 HIS H 1.0 0.0 4.27 564 564 A 78 ALA H A 79 ASN H 1.0 0.0 3.82 565 565 A 79 ASN H A 76 HIS H 1.0 0.0 4.84 566 566 A 79 ASN H A 80 ALA H 1.0 0.0 3.72 567 567 A 81 LEU H A 80 ALA H 1.0 0.0 3.95 568 568 A 81 LEU H A 82 GLU H 1.0 0.0 3.47 569 569 A 65 ALA HA A 68 ILE H 1.0 0.0 4.49 570 570 A 51 HIS H A 49 ALA H 1.0 0.0 4.27 571 571 A 5 TYR H A 6 ARG H 1.0 0.0 3.72 572 572 A 48 LEU H A 49 ALA H 1.0 0.0 4.03 573 573 A 44 ASP H A 43 ALA H 1.0 0.0 4.58 574 574 A 79 ASN HA A 82 GLU H 1.0 0.0 4.68 575 575 A 1 MET HA A 2 GLU H 1.0 0.0 3.29 576 576 A 82 GLU HB3 A 82 GLU H 1.0 0.0 2.99 577 577 A 66 ILE HD1% A 82 GLU H 1.0 0.0 3.84 578 578 A 25 PHE H A 23 LYS HA 1.0 0.0 4.95 579 579 A 21 GLU HB3 A 25 PHE H 1.0 0.0 4.81 580 580 A 72 LEU HG A 25 PHE H 1.0 0.0 5.40 581 581 A 3 SER H A 2 GLU HB2 1.0 0.0 4.07 582 582 A 4 GLU H A 4 GLU HBy 1.0 0.0 3.71 583 583 A 4 GLU H A 4 GLU HBx 1.0 0.0 3.71 584 584 A 88 ALA H A 87 GLU H 1.0 0.0 4.10 585 585 A 5 TYR HBy A 5 TYR H 1.0 0.0 3.47 586 586 A 47 GLU HBx A 48 LEU H 1.0 0.0 3.82 587 587 A 5 TYR HBy A 4 GLU H 1.0 0.0 5.49 588 588 A 22 LEU H A 22 LEU HBy 1.0 0.0 3.65 589 589 A 68 ILE HA A 71 LYS H 1.0 0.0 4.47 590 590 A 77 ILE HG2% A 77 ILE H 1.0 0.0 4.48 591 591 A 77 ILE H A 77 ILE HG1y 1.0 0.0 4.75 592 592 A 78 ALA H A 75 MET HA 1.0 0.0 4.40 593 593 A 2 GLU HB3 A 2 GLU H 1.0 0.0 3.22 594 594 A 87 GLU HB3 A 87 GLU H 1.0 0.0 3.66 595 595 A 52 LEU HB2 A 54 GLN H 1.0 0.0 5.50 596 596 A 62 VAL HG2% A 5 TYR H 1.0 0.0 5.50 597 597 A 48 LEU HD21 A 48 LEU H 1.0 0.0 4.58 598 598 A 66 ILE HG13 A 82 GLU H 1.0 0.0 4.49 599 599 A 2 GLU HA A 6 ARG H 1.0 0.0 4.26 600 600 A 48 LEU HD21 A 49 ALA H 1.0 0.0 4.12 601 601 A 6 ARG H A 6 ARG HBx 1.0 0.0 3.70 602 602 A 6 ARG H A 6 ARG HBy 1.0 0.0 3.70 603 603 A 6 ARG H A 3 SER HA 1.0 0.0 4.41 604 604 A 5 TYR HBy A 6 ARG H 1.0 0.0 3.90 605 605 A 7 GLU H A 6 ARG HGx 1.0 0.0 5.50 606 606 A 8 MET H A 11 LEU HD21 1.0 0.0 4.22 607 607 A 7 GLU H A 3 SER HA 1.0 0.0 4.42 608 608 A 8 MET H A 7 GLU HB3 1.0 0.0 3.57 609 609 A 8 MET H A 8 MET HBx 1.0 0.0 3.62 610 610 A 9 LEU H A 9 LEU HBx 1.0 0.0 3.64 611 611 A 9 LEU H A 9 LEU HBy 1.0 0.0 3.64 612 612 A 9 LEU H A 9 LEU HG 1.0 0.0 4.77 613 613 A 9 LEU H A 8 MET HE% 1.0 0.0 5.28 614 614 A 9 LEU H A 9 LEU HDx% 1.0 0.0 5.08 615 615 A 9 LEU H A 9 LEU HDy% 1.0 0.0 5.08 616 616 A 10 LEU H A 10 LEU HBx 1.0 0.0 3.73 617 617 A 10 LEU H A 10 LEU HBy 1.0 0.0 3.73 618 618 A 63 THR H A 59 ALA HA 1.0 0.0 4.61 619 619 A 63 THR H A 61 ALA HA 1.0 0.0 4.71 620 620 A 63 THR H A 62 VAL HB 1.0 0.0 3.59 621 621 A 63 THR H A 63 THR HG1 1.0 0.0 4.28 622 622 A 63 THR H A 63 THR HB 1.0 0.0 3.76 623 623 A 62 VAL HG2% A 63 THR H 1.0 0.0 4.23 624 624 A 10 LEU H A 11 LEU H 1.0 0.0 4.02 625 625 A 63 THR H A 64 LYS H 1.0 0.0 3.95 626 626 A 63 THR H A 61 ALA H 1.0 0.0 4.71 627 627 A 63 THR H A 65 ALA H 1.0 0.0 4.94 628 628 A 10 LEU H A 12 THR H 1.0 0.0 4.19 629 629 A 14 LEU HD2% A 11 LEU H 1.0 0.0 4.01 630 630 A 11 LEU HB2 A 11 LEU H 1.0 0.0 3.58 631 631 A 11 LEU HB3 A 11 LEU H 1.0 0.0 3.73 632 632 A 11 LEU H A 11 LEU HG 1.0 0.0 4.25 633 633 A 11 LEU HD21 A 12 THR H 1.0 0.0 4.44 634 634 A 14 LEU HD2% A 12 THR H 1.0 0.0 4.80 635 635 A 11 LEU HG A 12 THR H 1.0 0.0 4.01 636 636 A 13 GLY HA3 A 12 THR H 1.0 0.0 5.21 637 637 A 11 LEU HB3 A 12 THR H 1.0 0.0 4.17 638 638 A 12 THR HG1 A 12 THR H 1.0 0.0 4.62 639 639 A 11 LEU HB2 A 12 THR H 1.0 0.0 4.45 640 640 A 12 THR HB A 13 GLY H 1.0 0.0 4.52 641 641 A 12 THR HG1 A 13 GLY H 1.0 0.0 5.33 642 642 A 14 LEU HD2% A 13 GLY H 1.0 0.0 4.17 643 643 A 14 LEU HD1% A 14 LEU H 1.0 0.0 4.60 644 644 A 14 LEU HB3 A 14 LEU H 1.0 0.0 3.76 645 645 A 14 LEU H A 14 LEU HD2% 1.0 0.0 4.44 646 646 A 14 LEU HG A 14 LEU H 1.0 0.0 4.56 647 647 A 14 LEU H A 17 ILE HG2% 1.0 0.0 4.85 648 648 A 17 ILE HD1% A 14 LEU H 1.0 0.0 5.02 649 649 A 17 ILE HG1x A 15 ASP H 1.0 0.0 4.97 650 650 A 17 ILE HG2% A 15 ASP H 1.0 0.0 5.50 651 651 A 17 ILE HD1% A 15 ASP H 1.0 0.0 5.50 652 652 A 11 LEU HA A 15 ASP H 1.0 0.0 4.57 653 653 A 15 ASP H A 15 ASP HBy 1.0 0.0 3.90 654 654 A 14 LEU HB2 A 15 ASP H 1.0 0.0 4.40 655 655 A 14 LEU HB3 A 15 ASP H 1.0 0.0 4.77 656 656 A 14 LEU HG A 15 ASP H 1.0 0.0 5.50 657 657 A 15 ASP H A 15 ASP HBx 1.0 0.0 3.90 658 658 A 17 ILE HG2% A 16 HIS H 1.0 0.0 4.32 659 659 A 17 ILE HG1x A 16 HIS H 1.0 0.0 4.64 660 660 A 17 ILE HG1x A 17 ILE H 1.0 0.0 3.59 661 661 A 18 THR HG1 A 18 THR H 1.0 0.0 3.70 662 662 A 18 THR H A 17 ILE HB 1.0 0.0 3.83 663 663 A 18 THR H A 21 GLU HB2 1.0 0.0 4.39 664 664 A 18 THR H A 21 GLU HB3 1.0 0.0 4.65 665 665 A 18 THR H A 17 ILE HG1x 1.0 0.0 4.57 666 666 A 18 THR H A 17 ILE HD1% 1.0 0.0 4.70 667 667 A 19 GLU H A 18 THR HG1 1.0 0.0 4.52 668 668 A 19 GLU H A 18 THR HB 1.0 0.0 4.21 669 669 A 17 ILE HD1% A 21 GLU H 1.0 0.0 5.03 670 670 A 21 GLU HB3 A 21 GLU H 1.0 0.0 4.09 671 671 A 22 LEU H A 21 GLU HB2 1.0 0.0 4.11 672 672 A 22 LEU H A 22 LEU HBx 1.0 0.0 3.65 673 673 A 23 LYS H A 22 LEU HBy 1.0 0.0 4.73 674 674 A 90 ARG HB3 A 90 ARG H 1.0 0.0 3.17 675 675 A 77 ILE H A 77 ILE HB 1.0 0.0 3.54 676 676 A 77 ILE H A 74 TYR HBx 1.0 0.0 4.65 677 677 A 78 ALA HB% A 77 ILE H 1.0 0.0 4.45 678 678 A 17 ILE HD1% A 24 ARG H 1.0 0.0 5.50 679 679 A 78 ALA H A 77 ILE H 1.0 0.0 3.83 680 680 A 25 PHE H A 25 PHE HBx 1.0 0.0 3.77 681 681 A 25 PHE H A 25 PHE HBy 1.0 0.0 3.77 682 682 A 27 TYR HBy A 25 PHE H 1.0 0.0 5.30 683 683 A 22 LEU HA A 26 LYS H 1.0 0.0 4.85 684 684 A 26 LYS H A 24 ARG HA 1.0 0.0 5.48 685 685 A 26 LYS H A 26 LYS HBx 1.0 0.0 3.91 686 686 A 26 LYS H A 26 LYS HBy 1.0 0.0 3.91 687 687 A 27 TYR H A 26 LYS HBx 1.0 0.0 4.02 688 688 A 27 TYR H A 26 LYS HBy 1.0 0.0 4.02 689 689 A 27 TYR HBy A 27 TYR H 1.0 0.0 3.18 690 690 A 78 ALA HB% A 75 MET H 1.0 0.0 5.28 691 691 A 75 MET H A 75 MET HGy 1.0 0.0 4.40 692 692 A 28 PHE H A 31 THR HG2% 1.0 0.0 5.39 693 693 A 25 PHE HA A 28 PHE H 1.0 0.0 4.52 694 694 A 27 TYR HBy A 28 PHE H 1.0 0.0 3.53 695 695 A 28 PHE HB2 A 28 PHE H 1.0 0.0 3.52 696 696 A 68 ILE HG2% A 28 PHE H 1.0 0.0 4.58 697 697 A 75 MET H A 73 ASN H 1.0 0.0 4.26 698 698 A 27 TYR HBy A 29 ALA H 1.0 0.0 5.50 699 699 A 28 PHE HB2 A 29 ALA H 1.0 0.0 4.10 700 700 A 26 LYS HA A 29 ALA H 1.0 0.0 4.24 701 701 A 68 ILE HG2% A 29 ALA H 1.0 0.0 4.14 702 702 A 35 ILE HG2% A 37 ARG H 1.0 0.0 4.37 703 703 A 30 LEU H A 30 LEU HB2 1.0 0.0 3.49 704 704 A 30 LEU H A 30 LEU HDx% 1.0 0.0 4.14 705 705 A 30 LEU H A 30 LEU HG 1.0 0.0 4.00 706 706 A 30 LEU H A 28 PHE H 1.0 0.0 4.42 707 707 A 30 LEU H A 30 LEU HDy% 1.0 0.0 4.14 708 708 A 30 LEU HB3 A 31 THR H 1.0 0.0 4.10 709 709 A 33 PHE H A 31 THR H 1.0 0.0 4.60 710 710 A 31 THR HG2% A 32 GLU H 1.0 0.0 4.62 711 711 A 30 LEU HB3 A 32 GLU H 1.0 0.0 5.50 712 712 A 35 ILE H A 34 GLN HA 1.0 0.0 3.51 713 713 A 35 ILE H A 35 ILE HB 1.0 0.0 3.87 714 714 A 30 LEU HA A 35 ILE H 1.0 0.0 5.10 715 715 A 36 ALA H A 35 ILE HA 1.0 0.0 3.21 716 716 A 35 ILE HG2% A 36 ALA H 1.0 0.0 3.73 717 717 A 35 ILE HD1% A 36 ALA H 1.0 0.0 4.63 718 718 A 35 ILE HG2% A 38 SER H 1.0 0.0 5.50 719 719 A 38 SER H A 39 THR HG1 1.0 0.0 5.50 720 720 A 36 ALA HB% A 39 THR H 1.0 0.0 3.90 721 721 A 39 THR HG1 A 39 THR H 1.0 0.0 3.96 722 722 A 36 ALA HA A 39 THR H 1.0 0.0 4.87 723 723 A 37 ARG HA A 40 LEU H 1.0 0.0 4.35 724 724 A 40 LEU H A 40 LEU HBx 1.0 0.0 3.70 725 725 A 40 LEU H A 40 LEU HBy 1.0 0.0 3.70 726 726 A 39 THR HG1 A 40 LEU H 1.0 0.0 4.54 727 727 A 41 ASP H A 40 LEU HBx 1.0 0.0 4.76 728 728 A 39 THR HA A 41 ASP H 1.0 0.0 4.87 729 729 A 42 VAL HG2% A 41 ASP H 1.0 0.0 4.74 730 730 A 42 VAL HB A 42 VAL H 1.0 0.0 4.10 731 731 A 42 VAL HG2% A 42 VAL H 1.0 0.0 3.21 732 732 A 42 VAL H A 43 ALA H 1.0 0.0 3.78 733 733 A 42 VAL H A 41 ASP H 1.0 0.0 4.04 734 734 A 42 VAL HA A 44 ASP H 1.0 0.0 3.91 735 735 A 14 LEU HD2% A 44 ASP H 1.0 0.0 4.72 736 736 A 14 LEU HB2 A 44 ASP H 1.0 0.0 4.67 737 737 A 14 LEU HB3 A 44 ASP H 1.0 0.0 4.43 738 738 A 45 ARG H A 44 ASP H 1.0 0.0 3.83 739 739 A 45 ARG H A 14 LEU HD2% 1.0 0.0 5.50 740 740 A 45 ARG H A 45 ARG HBx 1.0 0.0 3.77 741 741 A 45 ARG H A 45 ARG HBy 1.0 0.0 3.77 742 742 A 88 ALA HB% A 85 LYS H 1.0 0.0 4.36 743 743 A 46 THR H A 45 ARG HGy 1.0 0.0 4.05 744 744 A 46 THR H A 45 ARG HBy 1.0 0.0 3.75 745 745 A 46 THR H A 45 ARG HGx 1.0 0.0 4.05 746 746 A 5 TYR H A 5 TYR HD% 1.0 0.0 4.30 747 747 A 89 GLU H A 90 ARG HG2 1.0 0.0 5.49 748 748 A 50 ASP H A 51 HIS HB2 1.0 0.0 4.97 749 749 A 50 ASP H A 49 ALA HB% 1.0 0.0 3.39 750 750 A 51 HIS H A 50 ASP H 1.0 0.0 3.68 751 751 A 50 ASP H A 50 ASP HBx 1.0 0.0 3.84 752 752 A 88 ALA HB% A 89 GLU H 1.0 0.0 3.45 753 753 A 48 LEU HA A 51 HIS H 1.0 0.0 4.31 754 754 A 51 HIS H A 51 HIS HB2 1.0 0.0 3.62 755 755 A 51 HIS H A 51 HIS HB3 1.0 0.0 3.90 756 756 A 51 HIS H A 50 ASP HBx 1.0 0.0 4.20 757 757 A 51 HIS H A 52 LEU HB3 1.0 0.0 5.50 758 758 A 48 LEU HD21 A 51 HIS H 1.0 0.0 4.64 759 759 A 52 LEU H A 51 HIS HB2 1.0 0.0 4.27 760 760 A 52 LEU H A 52 LEU HB3 1.0 0.0 3.41 761 761 A 52 LEU H A 52 LEU HG 1.0 0.0 4.14 762 762 A 48 LEU HA A 52 LEU H 1.0 0.0 4.64 763 763 A 53 ILE H A 61 ALA HB% 1.0 0.0 4.32 764 764 A 54 GLN HA A 53 ILE H 1.0 0.0 5.50 765 765 A 58 ALA HA A 53 ILE H 1.0 0.0 5.50 766 766 A 53 ILE HB A 53 ILE H 1.0 0.0 3.63 767 767 A 53 ILE H A 53 ILE HG1x 1.0 0.0 4.20 768 768 A 52 LEU HB2 A 53 ILE H 1.0 0.0 4.00 769 769 A 53 ILE H A 53 ILE HG1y 1.0 0.0 4.20 770 770 A 54 GLN H A 53 ILE H 1.0 0.0 3.82 771 771 A 56 ALA HB% A 55 SER H 1.0 0.0 5.45 772 772 A 61 ALA HB% A 55 SER H 1.0 0.0 5.50 773 773 A 52 LEU HA A 55 SER H 1.0 0.0 4.54 774 774 A 54 GLN HA A 57 GLY H 1.0 0.0 5.16 775 775 A 58 ALA HA A 57 GLY H 1.0 0.0 5.50 776 776 A 53 ILE HA A 57 GLY H 1.0 0.0 4.45 777 777 A 56 ALA HB% A 57 GLY H 1.0 0.0 4.22 778 778 A 61 ALA HB% A 57 GLY H 1.0 0.0 4.46 779 779 A 62 VAL HG2% A 58 ALA H 1.0 0.0 5.50 780 780 A 60 SER H A 58 ALA HB% 1.0 0.0 4.14 781 781 A 60 SER H A 59 ALA HB% 1.0 0.0 3.43 782 782 A 61 ALA H A 60 SER HBx 1.0 0.0 4.09 783 783 A 61 ALA HB% A 61 ALA H 1.0 0.0 3.10 784 784 A 61 ALA H A 60 SER HBy 1.0 0.0 4.09 785 785 A 65 ALA H A 62 VAL HA 1.0 0.0 4.38 786 786 A 65 ALA H A 64 LYS HB2 1.0 0.0 4.14 787 787 A 65 ALA H A 64 LYS HGy 1.0 0.0 4.09 788 788 A 62 VAL HB A 61 ALA H 1.0 0.0 5.08 789 789 A 65 ALA H A 66 ILE HG12 1.0 0.0 5.50 790 790 A 64 LYS HZ% A 65 ALA H 1.0 0.0 4.76 791 791 A 61 ALA H A 57 GLY H 1.0 0.0 4.75 792 792 A 65 ALA HB% A 65 ALA H 1.0 0.0 3.26 793 793 A 62 VAL HB A 62 VAL H 1.0 0.0 3.54 794 794 A 59 ALA HA A 62 VAL H 1.0 0.0 4.47 795 795 A 63 THR HG1 A 64 LYS H 1.0 0.0 4.60 796 796 A 22 LEU HA A 25 PHE H 1.0 0.0 4.57 797 797 A 64 LYS HB3 A 64 LYS H 1.0 0.0 4.02 798 798 A 66 ILE HG12 A 66 ILE H 1.0 0.0 3.19 799 799 A 65 ALA HB% A 66 ILE H 1.0 0.0 4.15 800 800 A 66 ILE HG13 A 66 ILE H 1.0 0.0 3.82 801 801 A 64 LYS HA A 67 ASN H 1.0 0.0 4.44 802 802 A 68 ILE HG12 A 67 ASN H 1.0 0.0 5.18 803 803 A 67 ASN H A 64 LYS HB2 1.0 0.0 4.97 804 804 A 67 ASN H A 66 ILE HG2% 1.0 0.0 4.01 805 805 A 67 ASN H A 67 ASN HBx 1.0 0.0 3.56 806 806 A 67 ASN H A 67 ASN HBy 1.0 0.0 3.56 807 807 A 68 ILE HG13 A 67 ASN H 1.0 0.0 4.59 808 808 A 68 ILE HG12 A 68 ILE H 1.0 0.0 3.83 809 809 A 68 ILE HG13 A 68 ILE H 1.0 0.0 3.78 810 810 A 68 ILE HG2% A 68 ILE H 1.0 0.0 4.12 811 811 A 65 ALA HA A 69 PHE H 1.0 0.0 4.67 812 812 A 69 PHE H A 69 PHE HB3 1.0 0.0 3.81 813 813 A 68 ILE HG13 A 69 PHE H 1.0 0.0 3.97 814 814 A 72 LEU HG A 69 PHE H 1.0 0.0 5.19 815 815 A 69 PHE HB2 A 69 PHE H 1.0 0.0 4.12 816 816 A 68 ILE HG12 A 69 PHE H 1.0 0.0 4.77 817 817 A 68 ILE HG2% A 69 PHE H 1.0 0.0 4.14 818 818 A 66 ILE HA A 69 PHE H 1.0 0.0 4.37 819 819 A 70 GLN HB2 A 70 GLN H 1.0 0.0 3.96 820 820 A 70 GLN H A 70 GLN HGy 1.0 0.0 3.98 821 821 A 70 GLN H A 70 GLN HGx 1.0 0.0 3.98 822 822 A 70 GLN HB3 A 70 GLN H 1.0 0.0 3.76 823 823 A 70 GLN H A 69 PHE HB3 1.0 0.0 4.27 824 824 A 71 LYS H A 70 GLN H 1.0 0.0 3.75 825 825 A 69 PHE H A 70 GLN H 1.0 0.0 4.00 826 826 A 70 GLN HB2 A 71 LYS H 1.0 0.0 4.23 827 827 A 71 LYS H A 71 LYS HBx 1.0 0.0 3.58 828 828 A 71 LYS H A 71 LYS HBy 1.0 0.0 3.58 829 829 A 70 GLN HB3 A 71 LYS H 1.0 0.0 4.22 830 830 A 69 PHE HA A 72 LEU H 1.0 0.0 4.53 831 831 A 72 LEU H A 72 LEU HB3 1.0 0.0 3.94 832 832 A 72 LEU HG A 72 LEU H 1.0 0.0 4.10 833 833 A 72 LEU HB2 A 72 LEU H 1.0 0.0 3.35 834 834 A 94 THR H A 94 THR HG1 1.0 0.0 4.49 835 835 A 94 THR H A 93 MET HBx 1.0 0.0 4.52 836 836 A 94 THR H A 93 MET HBy 1.0 0.0 4.52 837 837 A 72 LEU HB2 A 73 ASN H 1.0 0.0 4.19 838 838 A 72 LEU HG A 73 ASN H 1.0 0.0 4.87 839 839 A 70 GLN HA A 73 ASN H 1.0 0.0 4.63 840 840 A 91 LYS HA A 94 THR H 1.0 0.0 4.83 841 841 A 74 TYR H A 72 LEU HB3 1.0 0.0 4.65 842 842 A 74 TYR H A 74 TYR HBx 1.0 0.0 4.00 843 843 A 74 TYR H A 74 TYR HBy 1.0 0.0 4.00 844 844 A 70 GLN HA A 74 TYR H 1.0 0.0 4.67 845 845 A 72 LEU HB2 A 74 TYR H 1.0 0.0 4.61 846 846 A 74 TYR HD% A 74 TYR H 1.0 0.0 4.36 847 847 A 78 ALA H A 77 ILE HB 1.0 0.0 3.67 848 848 A 78 ALA H A 77 ILE HG2% 1.0 0.0 4.41 849 849 A 78 ALA HB% A 79 ASN H 1.0 0.0 3.66 850 850 A 79 ASN HB2 A 79 ASN H 1.0 0.0 3.48 851 851 A 79 ASN H A 80 ALA HB% 1.0 0.0 4.55 852 852 A 80 ALA H A 77 ILE HA 1.0 0.0 4.40 853 853 A 79 ASN HB3 A 80 ALA H 1.0 0.0 3.90 854 854 A 78 ALA HB% A 80 ALA H 1.0 0.0 4.86 855 855 A 81 LEU H A 82 GLU HB3 1.0 0.0 4.73 856 856 A 86 LYS H A 86 LYS HZ% 1.0 0.0 4.40 857 857 A 91 LYS HDy A 88 ALA H 1.0 0.0 4.81 858 858 A 87 GLU HB3 A 88 ALA H 1.0 0.0 3.63 859 859 A 90 ARG HG2 A 88 ALA H 1.0 0.0 5.22 860 860 A 88 ALA HA A 91 LYS H 1.0 0.0 4.15 861 861 A 91 LYS H A 91 LYS HG2 1.0 0.0 3.86 862 862 A 90 ARG HG3 A 91 LYS H 1.0 0.0 3.90 863 863 A 93 MET H A 93 MET HBx 1.0 0.0 4.03 864 864 A 93 MET H A 93 MET HBy 1.0 0.0 4.03 865 865 A 95 ASN H A 94 THR HG1 1.0 0.0 4.48 866 866 A 31 THR H A 31 THR HB 1.0 0.0 3.99 867 867 A 11 LEU HG A 13 GLY H 1.0 0.0 5.50 868 868 A 14 LEU HB2 A 13 GLY H 1.0 0.0 5.50 869 869 A 30 LEU HA A 33 PHE HD% 1.0 0.0 4.00 870 870 A 78 ALA HB% A 69 PHE HE% 1.0 0.0 3.98 871 871 A 30 LEU HG A 33 PHE HD% 1.0 0.0 4.33 872 872 A 5 TYR HD% A 2 GLU HB2 1.0 0.0 4.88 873 873 A 5 TYR HD% A 88 ALA HB% 1.0 0.0 3.72 874 874 A 25 PHE HD% A 29 ALA HB% 1.0 0.0 4.16 875 875 A 5 TYR HA A 5 TYR HD% 1.0 0.0 3.75 876 876 A 5 TYR HD% A 88 ALA HA 1.0 0.0 4.45 877 877 A 5 TYR HD% A 62 VAL HB 1.0 0.0 4.38 878 878 A 5 TYR HD% A 92 LEU HG 1.0 0.0 5.39 879 879 A 33 PHE HD% A 30 LEU HB3 1.0 0.0 3.91 880 880 A 33 PHE HD% A 29 ALA HB% 1.0 0.0 4.74 881 881 A 25 PHE HD% A 14 LEU HA 1.0 0.0 5.50 882 882 A 25 PHE HD% A 26 LYS HA 1.0 0.0 4.66 883 883 A 25 PHE HD% A 14 LEU HD2% 1.0 0.0 4.47 884 884 A 28 PHE HD% A 27 TYR HBy 1.0 0.0 3.92 885 885 A 59 ALA HA A 5 TYR HE% 1.0 0.0 4.09 886 886 A 88 ALA HB% A 5 TYR HE% 1.0 0.0 4.16 887 887 A 2 GLU H A 1 MET HBx 1.0 0.0 4.24 888 887 A 2 GLU H A 1 MET HBy 1.0 0.0 4.24 889 888 A 3 SER H A 1 MET HBx 1.0 0.0 3.66 890 888 A 3 SER H A 1 MET HBy 1.0 0.0 3.66 891 889 A 1 MET HBx A 3 SER HBx 1.0 0.0 4.02 892 889 A 1 MET HBy A 3 SER HBx 1.0 0.0 4.02 893 889 A 3 SER HBy A 1 MET HBx 1.0 0.0 4.02 894 889 A 1 MET HBy A 3 SER HBy 1.0 0.0 4.02 895 890 A 2 GLU H A 1 MET HGy 1.0 0.0 5.32 896 890 A 2 GLU H A 1 MET HGx 1.0 0.0 5.32 897 891 A 2 GLU H A 2 GLU HGx 1.0 0.0 3.84 898 891 A 2 GLU H A 2 GLU HGy 1.0 0.0 3.84 899 892 A 2 GLU HA A 2 GLU HGx 1.0 0.0 3.57 900 892 A 2 GLU HA A 2 GLU HGy 1.0 0.0 3.57 901 893 A 2 GLU HB2 A 92 LEU HDx% 1.0 0.0 4.20 902 893 A 2 GLU HB2 A 92 LEU HD21 1.0 0.0 4.20 903 894 A 2 GLU HB3 A 92 LEU HDx% 1.0 0.0 3.65 904 894 A 2 GLU HB3 A 92 LEU HD21 1.0 0.0 3.65 905 895 A 3 SER H A 2 GLU HGx 1.0 0.0 4.21 906 895 A 3 SER H A 2 GLU HGy 1.0 0.0 4.21 907 896 A 2 GLU HGx A 53 ILE HG1y 1.0 0.0 5.18 908 896 A 2 GLU HGy A 53 ILE HG1y 1.0 0.0 5.18 909 896 A 53 ILE HG1x A 2 GLU HGx 1.0 0.0 5.18 910 896 A 2 GLU HGy A 53 ILE HG1x 1.0 0.0 5.18 911 897 A 58 ALA HB% A 2 GLU HGx 1.0 0.0 4.06 912 897 A 58 ALA HB% A 2 GLU HGy 1.0 0.0 4.06 913 898 A 2 GLU HGx A 92 LEU HDx% 1.0 0.0 5.28 914 898 A 2 GLU HGy A 92 LEU HDx% 1.0 0.0 5.28 915 898 A 92 LEU HD21 A 2 GLU HGx 1.0 0.0 5.28 916 898 A 2 GLU HGy A 92 LEU HD21 1.0 0.0 5.28 917 899 A 3 SER H A 3 SER HBx 1.0 0.0 3.21 918 899 A 3 SER H A 3 SER HBy 1.0 0.0 3.21 919 900 A 3 SER HA A 6 ARG HBy 1.0 0.0 3.78 920 900 A 3 SER HA A 6 ARG HBx 1.0 0.0 3.78 921 901 A 5 TYR H A 3 SER HBx 1.0 0.0 5.13 922 901 A 5 TYR H A 3 SER HBy 1.0 0.0 5.13 923 902 A 4 GLU H A 4 GLU HBx 1.0 0.0 3.20 924 902 A 4 GLU H A 4 GLU HBy 1.0 0.0 3.20 925 903 A 4 GLU H A 4 GLU HGx 1.0 0.0 4.28 926 903 A 4 GLU H A 4 GLU HGy 1.0 0.0 4.28 927 904 A 4 GLU H A 91 LYS HEx 1.0 0.0 5.34 928 904 A 4 GLU H A 91 LYS HEy 1.0 0.0 5.34 929 905 A 4 GLU HA A 4 GLU HGx 1.0 0.0 3.57 930 905 A 4 GLU HA A 4 GLU HGy 1.0 0.0 3.57 931 906 A 5 TYR H A 4 GLU HBx 1.0 0.0 3.86 932 906 A 5 TYR H A 4 GLU HBy 1.0 0.0 3.86 933 907 A 5 TYR HBy A 4 GLU HBx 1.0 0.0 5.34 934 907 A 5 TYR HBy A 4 GLU HBy 1.0 0.0 5.34 935 908 A 4 GLU HGx A 91 LYS HEx 1.0 0.0 3.57 936 908 A 4 GLU HGy A 91 LYS HEx 1.0 0.0 3.57 937 908 A 91 LYS HEy A 4 GLU HGx 1.0 0.0 3.57 938 908 A 4 GLU HGy A 91 LYS HEy 1.0 0.0 3.57 939 909 A 5 TYR HA A 8 MET HGx 1.0 0.0 3.70 940 909 A 5 TYR HA A 8 MET HGy 1.0 0.0 3.70 941 910 A 5 TYR HA A 91 LYS HEx 1.0 0.0 4.16 942 910 A 5 TYR HA A 91 LYS HEy 1.0 0.0 4.16 943 911 A 5 TYR HBy A 6 ARG HBy 1.0 0.0 5.34 944 911 A 5 TYR HBy A 6 ARG HBx 1.0 0.0 5.34 945 912 A 5 TYR HBy A 9 LEU HBx 1.0 0.0 5.34 946 912 A 5 TYR HBy A 9 LEU HBy 1.0 0.0 5.34 947 913 A 5 TYR HBy A 92 LEU HDx% 1.0 0.0 4.72 948 913 A 5 TYR HBy A 92 LEU HD21 1.0 0.0 4.72 949 914 A 5 TYR HD% A 6 ARG HBy 1.0 0.0 5.20 950 914 A 5 TYR HD% A 6 ARG HBx 1.0 0.0 5.20 951 915 A 5 TYR HD% A 91 LYS HBx 1.0 0.0 5.34 952 915 A 5 TYR HD% A 91 LYS HBy 1.0 0.0 5.34 953 916 A 6 ARG H A 6 ARG HBy 1.0 0.0 3.23 954 916 A 6 ARG H A 6 ARG HBx 1.0 0.0 3.23 955 917 A 6 ARG H A 6 ARG HGy 1.0 0.0 3.93 956 917 A 6 ARG H A 6 ARG HGx 1.0 0.0 3.93 957 918 A 6 ARG H A 6 ARG HDx 1.0 0.0 4.71 958 918 A 6 ARG H A 6 ARG HDy 1.0 0.0 4.71 959 919 A 6 ARG HA A 9 LEU HBx 1.0 0.0 3.32 960 919 A 6 ARG HA A 9 LEU HBy 1.0 0.0 3.32 961 920 A 6 ARG HA A 9 LEU HDy% 1.0 0.0 3.63 962 920 A 6 ARG HA A 9 LEU HDx% 1.0 0.0 3.63 963 921 A 6 ARG HBy A 6 ARG HDx 1.0 0.0 3.20 964 921 A 6 ARG HBx A 6 ARG HDx 1.0 0.0 3.20 965 921 A 6 ARG HDy A 6 ARG HBy 1.0 0.0 3.20 966 921 A 6 ARG HBx A 6 ARG HDy 1.0 0.0 3.20 967 922 A 7 GLU H A 6 ARG HBy 1.0 0.0 3.86 968 922 A 7 GLU H A 6 ARG HBx 1.0 0.0 3.86 969 923 A 6 ARG HBy A 9 LEU HDy% 1.0 0.0 4.27 970 923 A 6 ARG HBx A 9 LEU HDy% 1.0 0.0 4.27 971 923 A 9 LEU HDx% A 6 ARG HBy 1.0 0.0 4.27 972 923 A 6 ARG HBx A 9 LEU HDx% 1.0 0.0 4.27 973 924 A 6 ARG HBy A 10 LEU HDx% 1.0 0.0 3.50 974 924 A 6 ARG HBx A 10 LEU HDx% 1.0 0.0 3.50 975 924 A 10 LEU HD21 A 6 ARG HBy 1.0 0.0 3.50 976 924 A 6 ARG HBx A 10 LEU HD21 1.0 0.0 3.50 977 925 A 49 ALA HB% A 6 ARG HBy 1.0 0.0 3.62 978 925 A 49 ALA HB% A 6 ARG HBx 1.0 0.0 3.62 979 926 A 6 ARG HBx A 53 ILE HG1y 1.0 0.0 4.71 980 926 A 6 ARG HBy A 53 ILE HG1y 1.0 0.0 4.71 981 926 A 53 ILE HG1x A 6 ARG HBy 1.0 0.0 4.71 982 926 A 53 ILE HG1x A 6 ARG HBx 1.0 0.0 4.71 983 927 A 62 VAL HG1% A 6 ARG HBy 1.0 0.0 5.21 984 927 A 62 VAL HG1% A 6 ARG HBx 1.0 0.0 5.21 985 928 A 62 VAL HG2% A 6 ARG HBy 1.0 0.0 3.60 986 928 A 62 VAL HG2% A 6 ARG HBx 1.0 0.0 3.60 987 929 A 7 GLU H A 6 ARG HGy 1.0 0.0 4.69 988 929 A 7 GLU H A 6 ARG HGx 1.0 0.0 4.69 989 930 A 49 ALA HA A 6 ARG HGy 1.0 0.0 5.34 990 930 A 49 ALA HA A 6 ARG HGx 1.0 0.0 5.34 991 931 A 6 ARG HGy A 53 ILE HG1y 1.0 0.0 3.87 992 931 A 6 ARG HGx A 53 ILE HG1y 1.0 0.0 3.87 993 931 A 53 ILE HG1x A 6 ARG HGy 1.0 0.0 3.87 994 931 A 53 ILE HG1x A 6 ARG HGx 1.0 0.0 3.87 995 932 A 7 GLU H A 6 ARG HDx 1.0 0.0 5.31 996 932 A 7 GLU H A 6 ARG HDy 1.0 0.0 5.31 997 933 A 49 ALA HB% A 6 ARG HDx 1.0 0.0 4.35 998 933 A 49 ALA HB% A 6 ARG HDy 1.0 0.0 4.35 999 934 A 6 ARG HDy A 53 ILE HG1y 1.0 0.0 4.93 1000 934 A 6 ARG HDx A 53 ILE HG1y 1.0 0.0 4.93 1001 934 A 53 ILE HG1x A 6 ARG HDx 1.0 0.0 4.93 1002 934 A 53 ILE HG1x A 6 ARG HDy 1.0 0.0 4.93 1003 935 A 62 VAL HG2% A 6 ARG HDx 1.0 0.0 4.25 1004 935 A 62 VAL HG2% A 6 ARG HDy 1.0 0.0 4.25 1005 936 A 7 GLU HA A 7 GLU HGx 1.0 0.0 3.41 1006 936 A 7 GLU HA A 7 GLU HGy 1.0 0.0 3.41 1007 937 A 8 MET H A 7 GLU HGx 1.0 0.0 3.86 1008 937 A 8 MET H A 7 GLU HGy 1.0 0.0 3.86 1009 938 A 11 LEU HB2 A 7 GLU HGx 1.0 0.0 3.81 1010 938 A 11 LEU HB2 A 7 GLU HGy 1.0 0.0 3.81 1011 939 A 11 LEU HB3 A 7 GLU HGx 1.0 0.0 4.18 1012 939 A 11 LEU HB3 A 7 GLU HGy 1.0 0.0 4.18 1013 940 A 11 LEU HD21 A 7 GLU HGx 1.0 0.0 3.69 1014 940 A 11 LEU HD21 A 7 GLU HGy 1.0 0.0 3.69 1015 941 A 7 GLU HGy A 45 ARG HBy 1.0 0.0 4.23 1016 941 A 45 ARG HBx A 7 GLU HGx 1.0 0.0 4.23 1017 941 A 7 GLU HGy A 45 ARG HBx 1.0 0.0 4.23 1018 941 A 7 GLU HGx A 45 ARG HBy 1.0 0.0 4.23 1019 942 A 8 MET H A 8 MET HBx 1.0 0.0 3.13 1020 942 A 8 MET H A 8 MET HBy 1.0 0.0 3.13 1021 943 A 8 MET H A 8 MET HGx 1.0 0.0 3.91 1022 943 A 8 MET H A 8 MET HGy 1.0 0.0 3.91 1023 944 A 8 MET HE% A 8 MET HBx 1.0 0.0 4.39 1024 944 A 8 MET HE% A 8 MET HBy 1.0 0.0 4.39 1025 945 A 9 LEU H A 8 MET HBx 1.0 0.0 4.18 1026 945 A 9 LEU H A 8 MET HBy 1.0 0.0 4.18 1027 946 A 11 LEU HD21 A 8 MET HBx 1.0 0.0 4.04 1028 946 A 11 LEU HD21 A 8 MET HBy 1.0 0.0 4.04 1029 947 A 9 LEU H A 8 MET HGx 1.0 0.0 4.13 1030 947 A 9 LEU H A 8 MET HGy 1.0 0.0 4.13 1031 948 A 8 MET HGx A 9 LEU HBx 1.0 0.0 4.13 1032 948 A 9 LEU HBy A 8 MET HGx 1.0 0.0 4.13 1033 948 A 8 MET HGy A 9 LEU HBy 1.0 0.0 4.13 1034 948 A 8 MET HGy A 9 LEU HBx 1.0 0.0 4.13 1035 949 A 9 LEU H A 9 LEU HDy% 1.0 0.0 4.37 1036 949 A 9 LEU H A 9 LEU HDx% 1.0 0.0 4.37 1037 950 A 9 LEU HA A 9 LEU HDy% 1.0 0.0 3.14 1038 950 A 9 LEU HA A 9 LEU HDx% 1.0 0.0 3.14 1039 951 A 9 LEU HBx A 9 LEU HDy% 1.0 0.0 2.84 1040 951 A 9 LEU HBy A 9 LEU HDy% 1.0 0.0 2.84 1041 951 A 9 LEU HDx% A 9 LEU HBx 1.0 0.0 2.84 1042 951 A 9 LEU HBy A 9 LEU HDx% 1.0 0.0 2.84 1043 952 A 62 VAL HG1% A 9 LEU HBx 1.0 0.0 3.85 1044 952 A 62 VAL HG1% A 9 LEU HBy 1.0 0.0 3.85 1045 953 A 62 VAL HG2% A 9 LEU HBx 1.0 0.0 3.97 1046 953 A 62 VAL HG2% A 9 LEU HBy 1.0 0.0 3.97 1047 954 A 10 LEU H A 9 LEU HDy% 1.0 0.0 4.28 1048 954 A 10 LEU H A 9 LEU HDx% 1.0 0.0 4.28 1049 955 A 65 ALA H A 9 LEU HDy% 1.0 0.0 4.86 1050 955 A 65 ALA H A 9 LEU HDx% 1.0 0.0 4.86 1051 956 A 65 ALA HB% A 9 LEU HDy% 1.0 0.0 3.13 1052 956 A 65 ALA HB% A 9 LEU HDx% 1.0 0.0 3.13 1053 957 A 66 ILE H A 9 LEU HDy% 1.0 0.0 3.92 1054 957 A 66 ILE H A 9 LEU HDx% 1.0 0.0 3.92 1055 958 A 10 LEU H A 10 LEU HBy 1.0 0.0 3.16 1056 958 A 10 LEU H A 10 LEU HBx 1.0 0.0 3.16 1057 959 A 10 LEU H A 10 LEU HDx% 1.0 0.0 4.29 1058 959 A 10 LEU H A 10 LEU HD21 1.0 0.0 4.29 1059 960 A 10 LEU HA A 10 LEU HDx% 1.0 0.0 4.28 1060 960 A 10 LEU HD21 A 10 LEU HA 1.0 0.0 4.28 1061 961 A 11 LEU H A 10 LEU HBy 1.0 0.0 3.86 1062 961 A 11 LEU H A 10 LEU HBx 1.0 0.0 3.86 1063 962 A 12 THR H A 10 LEU HBy 1.0 0.0 5.31 1064 962 A 12 THR H A 10 LEU HBx 1.0 0.0 5.31 1065 963 A 11 LEU H A 10 LEU HDx% 1.0 0.0 4.32 1066 963 A 11 LEU H A 10 LEU HD21 1.0 0.0 4.32 1067 964 A 49 ALA HA A 10 LEU HDx% 1.0 0.0 3.85 1068 964 A 49 ALA HA A 10 LEU HD21 1.0 0.0 3.85 1069 965 A 49 ALA HB% A 10 LEU HDx% 1.0 0.0 3.01 1070 965 A 49 ALA HB% A 10 LEU HD21 1.0 0.0 3.01 1071 966 A 11 LEU HA A 15 ASP HBx 1.0 0.0 4.58 1072 966 A 11 LEU HA A 15 ASP HBy 1.0 0.0 4.58 1073 967 A 11 LEU HB2 A 44 ASP HBx 1.0 0.0 3.93 1074 967 A 11 LEU HB2 A 44 ASP HBy 1.0 0.0 3.93 1075 968 A 11 LEU HG A 15 ASP HBx 1.0 0.0 5.33 1076 968 A 11 LEU HG A 15 ASP HBy 1.0 0.0 5.33 1077 969 A 11 LEU HD21 A 15 ASP HBx 1.0 0.0 4.77 1078 969 A 11 LEU HD21 A 15 ASP HBy 1.0 0.0 4.77 1079 970 A 12 THR HA A 15 ASP HBx 1.0 0.0 5.34 1080 970 A 12 THR HA A 15 ASP HBy 1.0 0.0 5.34 1081 971 A 12 THR HB A 81 LEU HBx 1.0 0.0 4.35 1082 971 A 12 THR HB A 81 LEU HBy 1.0 0.0 4.35 1083 972 A 12 THR HB A 81 LEU HDx% 1.0 0.0 4.79 1084 972 A 12 THR HB A 81 LEU HD21 1.0 0.0 4.79 1085 973 A 12 THR HG1 A 81 LEU HBx 1.0 0.0 3.86 1086 973 A 12 THR HG1 A 81 LEU HBy 1.0 0.0 3.86 1087 974 A 14 LEU HB2 A 15 ASP HBx 1.0 0.0 5.34 1088 974 A 14 LEU HB2 A 15 ASP HBy 1.0 0.0 5.34 1089 975 A 14 LEU HB2 A 44 ASP HBx 1.0 0.0 3.34 1090 975 A 14 LEU HB2 A 44 ASP HBy 1.0 0.0 3.34 1091 976 A 14 LEU HB3 A 44 ASP HBx 1.0 0.0 3.56 1092 976 A 14 LEU HB3 A 44 ASP HBy 1.0 0.0 3.56 1093 977 A 15 ASP H A 15 ASP HBx 1.0 0.0 3.38 1094 977 A 15 ASP H A 15 ASP HBy 1.0 0.0 3.38 1095 978 A 16 HIS H A 15 ASP HBx 1.0 0.0 4.20 1096 978 A 16 HIS H A 15 ASP HBy 1.0 0.0 4.20 1097 979 A 77 ILE HD1% A 16 HIS HBy 1.0 0.0 3.75 1098 979 A 77 ILE HD1% A 16 HIS HBx 1.0 0.0 3.75 1099 980 A 17 ILE HG2% A 21 GLU HGx 1.0 0.0 5.05 1100 980 A 17 ILE HG2% A 21 GLU HGy 1.0 0.0 5.05 1101 981 A 17 ILE HG2% A 77 ILE HG1y 1.0 0.0 5.34 1102 981 A 17 ILE HG2% A 77 ILE HG1x 1.0 0.0 5.34 1103 982 A 17 ILE HD1% A 21 GLU HGx 1.0 0.0 5.34 1104 982 A 17 ILE HD1% A 21 GLU HGy 1.0 0.0 5.34 1105 983 A 17 ILE HD1% A 22 LEU HBx 1.0 0.0 4.52 1106 983 A 17 ILE HD1% A 22 LEU HBy 1.0 0.0 4.52 1107 984 A 17 ILE HD1% A 25 PHE HBx 1.0 0.0 3.63 1108 984 A 17 ILE HD1% A 25 PHE HBy 1.0 0.0 3.63 1109 985 A 18 THR H A 20 GLU HGx 1.0 0.0 4.32 1110 985 A 18 THR H A 20 GLU HGy 1.0 0.0 4.32 1111 986 A 18 THR H A 21 GLU HGx 1.0 0.0 4.70 1112 986 A 18 THR H A 21 GLU HGy 1.0 0.0 4.70 1113 987 A 18 THR HG1 A 20 GLU HGx 1.0 0.0 4.42 1114 987 A 18 THR HG1 A 20 GLU HGy 1.0 0.0 4.42 1115 988 A 19 GLU H A 19 GLU HBx 1.0 0.0 3.19 1116 988 A 19 GLU H A 19 GLU HBy 1.0 0.0 3.19 1117 989 A 19 GLU H A 20 GLU HGx 1.0 0.0 4.01 1118 989 A 19 GLU H A 20 GLU HGy 1.0 0.0 4.01 1119 990 A 19 GLU HA A 22 LEU HBx 1.0 0.0 3.81 1120 990 A 19 GLU HA A 22 LEU HBy 1.0 0.0 3.81 1121 991 A 20 GLU HA A 23 LYS HGy 1.0 0.0 4.91 1122 991 A 20 GLU HA A 23 LYS HGx 1.0 0.0 4.91 1123 992 A 20 GLU HA A 23 LYS HEy 1.0 0.0 4.08 1124 992 A 20 GLU HA A 23 LYS HEx 1.0 0.0 4.08 1125 993 A 21 GLU H A 20 GLU HBx 1.0 0.0 3.72 1126 993 A 21 GLU H A 20 GLU HBy 1.0 0.0 3.72 1127 994 A 21 GLU HA A 20 GLU HBx 1.0 0.0 5.04 1128 994 A 20 GLU HBy A 21 GLU HA 1.0 0.0 5.04 1129 995 A 21 GLU H A 20 GLU HGx 1.0 0.0 3.50 1130 995 A 21 GLU H A 20 GLU HGy 1.0 0.0 3.50 1131 996 A 21 GLU H A 22 LEU HBx 1.0 0.0 4.58 1132 996 A 21 GLU H A 22 LEU HBy 1.0 0.0 4.58 1133 997 A 21 GLU HA A 21 GLU HGx 1.0 0.0 3.50 1134 997 A 21 GLU HGy A 21 GLU HA 1.0 0.0 3.50 1135 998 A 21 GLU HA A 24 ARG HBx 1.0 0.0 3.83 1136 998 A 21 GLU HA A 24 ARG HBy 1.0 0.0 3.83 1137 999 A 21 GLU HA A 24 ARG HGy 1.0 0.0 4.48 1138 999 A 21 GLU HA A 24 ARG HGx 1.0 0.0 4.48 1139 1000 A 21 GLU HA A 24 ARG HDx 1.0 0.0 4.33 1140 1000 A 21 GLU HA A 24 ARG HDy 1.0 0.0 4.33 1141 1001 A 21 GLU HA A 72 LEU HDx% 1.0 0.0 5.44 1142 1001 A 21 GLU HA A 72 LEU HDy% 1.0 0.0 5.44 1143 1002 A 21 GLU HB3 A 24 ARG HDx 1.0 0.0 4.60 1144 1002 A 21 GLU HB3 A 24 ARG HDy 1.0 0.0 4.60 1145 1003 A 22 LEU HA A 25 PHE HBx 1.0 0.0 3.52 1146 1003 A 22 LEU HA A 25 PHE HBy 1.0 0.0 3.52 1147 1004 A 23 LYS H A 22 LEU HBx 1.0 0.0 3.86 1148 1004 A 23 LYS H A 22 LEU HBy 1.0 0.0 3.86 1149 1005 A 23 LYS HA A 22 LEU HBx 1.0 0.0 4.93 1150 1005 A 23 LYS HA A 22 LEU HBy 1.0 0.0 4.93 1151 1006 A 22 LEU HBx A 40 LEU HDx% 1.0 0.0 3.52 1152 1006 A 22 LEU HBy A 40 LEU HDx% 1.0 0.0 3.52 1153 1006 A 40 LEU HD21 A 22 LEU HBx 1.0 0.0 3.52 1154 1006 A 22 LEU HBy A 40 LEU HD21 1.0 0.0 3.52 1155 1007 A 23 LYS H A 23 LYS HBx 1.0 0.0 3.46 1156 1007 A 23 LYS H A 23 LYS HBy 1.0 0.0 3.46 1157 1008 A 23 LYS H A 23 LYS HGy 1.0 0.0 3.57 1158 1008 A 23 LYS H A 23 LYS HGx 1.0 0.0 3.57 1159 1009 A 23 LYS H A 23 LYS HDy 1.0 0.0 4.56 1160 1009 A 23 LYS H A 23 LYS HDx 1.0 0.0 4.56 1161 1010 A 23 LYS H A 40 LEU HDx% 1.0 0.0 4.85 1162 1010 A 23 LYS H A 40 LEU HD21 1.0 0.0 4.85 1163 1011 A 23 LYS HA A 23 LYS HGy 1.0 0.0 3.41 1164 1011 A 23 LYS HA A 23 LYS HGx 1.0 0.0 3.41 1165 1012 A 23 LYS HA A 23 LYS HDy 1.0 0.0 3.98 1166 1012 A 23 LYS HA A 23 LYS HDx 1.0 0.0 3.98 1167 1013 A 23 LYS HBx A 23 LYS HDy 1.0 0.0 3.28 1168 1013 A 23 LYS HBy A 23 LYS HDy 1.0 0.0 3.28 1169 1013 A 23 LYS HDx A 23 LYS HBx 1.0 0.0 3.28 1170 1013 A 23 LYS HBy A 23 LYS HDx 1.0 0.0 3.28 1171 1014 A 24 ARG H A 23 LYS HBx 1.0 0.0 3.35 1172 1014 A 24 ARG H A 23 LYS HBy 1.0 0.0 3.35 1173 1015 A 24 ARG HA A 23 LYS HBx 1.0 0.0 4.22 1174 1015 A 24 ARG HA A 23 LYS HBy 1.0 0.0 4.22 1175 1016 A 27 TYR HBy A 23 LYS HBx 1.0 0.0 5.34 1176 1016 A 27 TYR HBy A 23 LYS HBy 1.0 0.0 5.34 1177 1017 A 24 ARG H A 23 LYS HGy 1.0 0.0 4.67 1178 1017 A 24 ARG H A 23 LYS HGx 1.0 0.0 4.67 1179 1018 A 24 ARG H A 24 ARG HBx 1.0 0.0 3.51 1180 1018 A 24 ARG H A 24 ARG HBy 1.0 0.0 3.51 1181 1019 A 24 ARG H A 24 ARG HGy 1.0 0.0 3.78 1182 1019 A 24 ARG H A 24 ARG HGx 1.0 0.0 3.78 1183 1020 A 24 ARG H A 24 ARG HDx 1.0 0.0 3.66 1184 1020 A 24 ARG H A 24 ARG HDy 1.0 0.0 3.66 1185 1021 A 24 ARG HA A 24 ARG HGy 1.0 0.0 3.51 1186 1021 A 24 ARG HA A 24 ARG HGx 1.0 0.0 3.51 1187 1022 A 24 ARG HA A 24 ARG HDx 1.0 0.0 3.90 1188 1022 A 24 ARG HA A 24 ARG HDy 1.0 0.0 3.90 1189 1023 A 24 ARG HBx A 24 ARG HDx 1.0 0.0 3.26 1190 1023 A 24 ARG HBy A 24 ARG HDx 1.0 0.0 3.26 1191 1023 A 24 ARG HDy A 24 ARG HBx 1.0 0.0 3.26 1192 1023 A 24 ARG HBy A 24 ARG HDy 1.0 0.0 3.26 1193 1024 A 25 PHE H A 24 ARG HBx 1.0 0.0 4.02 1194 1024 A 25 PHE H A 24 ARG HBy 1.0 0.0 4.02 1195 1025 A 24 ARG HBy A 72 LEU HDx% 1.0 0.0 4.72 1196 1025 A 24 ARG HBx A 72 LEU HDx% 1.0 0.0 4.72 1197 1025 A 72 LEU HDy% A 24 ARG HBx 1.0 0.0 4.72 1198 1025 A 24 ARG HBy A 72 LEU HDy% 1.0 0.0 4.72 1199 1026 A 25 PHE H A 24 ARG HGy 1.0 0.0 5.02 1200 1026 A 25 PHE H A 24 ARG HGx 1.0 0.0 5.02 1201 1027 A 24 ARG HGy A 72 LEU HDx% 1.0 0.0 3.89 1202 1027 A 24 ARG HGx A 72 LEU HDx% 1.0 0.0 3.89 1203 1027 A 72 LEU HDy% A 24 ARG HGy 1.0 0.0 3.89 1204 1027 A 24 ARG HGx A 72 LEU HDy% 1.0 0.0 3.89 1205 1028 A 25 PHE H A 24 ARG HDx 1.0 0.0 4.34 1206 1028 A 25 PHE H A 24 ARG HDy 1.0 0.0 4.34 1207 1029 A 25 PHE HA A 72 LEU HDx% 1.0 0.0 5.40 1208 1029 A 25 PHE HA A 72 LEU HDy% 1.0 0.0 5.40 1209 1030 A 26 LYS H A 25 PHE HBx 1.0 0.0 4.08 1210 1030 A 26 LYS H A 25 PHE HBy 1.0 0.0 4.08 1211 1031 A 26 LYS H A 26 LYS HGx 1.0 0.0 4.25 1212 1031 A 26 LYS H A 26 LYS HGy 1.0 0.0 4.25 1213 1032 A 26 LYS H A 40 LEU HDx% 1.0 0.0 4.86 1214 1032 A 26 LYS H A 40 LEU HD21 1.0 0.0 4.86 1215 1033 A 26 LYS HA A 26 LYS HGx 1.0 0.0 3.32 1216 1033 A 26 LYS HA A 26 LYS HGy 1.0 0.0 3.32 1217 1034 A 26 LYS HA A 26 LYS HDx 1.0 0.0 4.04 1218 1034 A 26 LYS HA A 26 LYS HDy 1.0 0.0 4.04 1219 1035 A 26 LYS HA A 30 LEU HDy% 1.0 0.0 4.99 1220 1035 A 26 LYS HA A 30 LEU HDx% 1.0 0.0 4.99 1221 1036 A 26 LYS HA A 40 LEU HDx% 1.0 0.0 5.44 1222 1036 A 26 LYS HA A 40 LEU HD21 1.0 0.0 5.44 1223 1037 A 26 LYS HZ% A 26 LYS HBx 1.0 0.0 4.43 1224 1037 A 26 LYS HZ% A 26 LYS HBy 1.0 0.0 4.43 1225 1038 A 27 TYR HA A 26 LYS HBx 1.0 0.0 4.43 1226 1038 A 27 TYR HA A 26 LYS HBy 1.0 0.0 4.43 1227 1039 A 26 LYS HBx A 30 LEU HDy% 1.0 0.0 3.19 1228 1039 A 26 LYS HBy A 30 LEU HDy% 1.0 0.0 3.19 1229 1039 A 30 LEU HDx% A 26 LYS HBx 1.0 0.0 3.19 1230 1039 A 30 LEU HDx% A 26 LYS HBy 1.0 0.0 3.19 1231 1040 A 26 LYS HGy A 30 LEU HDy% 1.0 0.0 2.75 1232 1040 A 26 LYS HGx A 30 LEU HDy% 1.0 0.0 2.75 1233 1040 A 30 LEU HDx% A 26 LYS HGx 1.0 0.0 2.75 1234 1040 A 26 LYS HGy A 30 LEU HDx% 1.0 0.0 2.75 1235 1041 A 26 LYS HGx A 40 LEU HDx% 1.0 0.0 4.62 1236 1041 A 26 LYS HGy A 40 LEU HDx% 1.0 0.0 4.62 1237 1041 A 40 LEU HD21 A 26 LYS HGx 1.0 0.0 4.62 1238 1041 A 40 LEU HD21 A 26 LYS HGy 1.0 0.0 4.62 1239 1042 A 48 LEU HG A 26 LYS HGx 1.0 0.0 4.71 1240 1042 A 48 LEU HG A 26 LYS HGy 1.0 0.0 4.71 1241 1043 A 48 LEU HD21 A 26 LYS HGx 1.0 0.0 4.84 1242 1043 A 48 LEU HD21 A 26 LYS HGy 1.0 0.0 4.84 1243 1044 A 26 LYS HDx A 30 LEU HDy% 1.0 0.0 3.91 1244 1044 A 30 LEU HDx% A 26 LYS HDx 1.0 0.0 3.91 1245 1044 A 26 LYS HDy A 30 LEU HDx% 1.0 0.0 3.91 1246 1044 A 26 LYS HDy A 30 LEU HDy% 1.0 0.0 3.91 1247 1045 A 26 LYS HDy A 40 LEU HDx% 1.0 0.0 4.65 1248 1045 A 26 LYS HDx A 40 LEU HDx% 1.0 0.0 4.65 1249 1045 A 40 LEU HD21 A 26 LYS HDx 1.0 0.0 4.65 1250 1045 A 40 LEU HD21 A 26 LYS HDy 1.0 0.0 4.65 1251 1046 A 26 LYS HEy A 30 LEU HDy% 1.0 0.0 4.42 1252 1046 A 26 LYS HEx A 30 LEU HDy% 1.0 0.0 4.42 1253 1046 A 30 LEU HDx% A 26 LYS HEx 1.0 0.0 4.42 1254 1046 A 30 LEU HDx% A 26 LYS HEy 1.0 0.0 4.42 1255 1047 A 26 LYS HZ% A 40 LEU HDx% 1.0 0.0 4.62 1256 1047 A 26 LYS HZ% A 40 LEU HD21 1.0 0.0 4.62 1257 1048 A 27 TYR H A 40 LEU HDx% 1.0 0.0 5.44 1258 1048 A 27 TYR H A 40 LEU HD21 1.0 0.0 5.44 1259 1049 A 27 TYR HA A 30 LEU HDy% 1.0 0.0 4.61 1260 1049 A 27 TYR HA A 30 LEU HDx% 1.0 0.0 4.61 1261 1050 A 28 PHE HB2 A 72 LEU HDx% 1.0 0.0 4.90 1262 1050 A 28 PHE HB2 A 72 LEU HDy% 1.0 0.0 4.90 1263 1051 A 29 ALA HB% A 30 LEU HDy% 1.0 0.0 3.52 1264 1051 A 29 ALA HB% A 30 LEU HDx% 1.0 0.0 3.52 1265 1052 A 30 LEU H A 30 LEU HDy% 1.0 0.0 3.55 1266 1052 A 30 LEU H A 30 LEU HDx% 1.0 0.0 3.55 1267 1053 A 30 LEU HA A 30 LEU HDy% 1.0 0.0 3.14 1268 1053 A 30 LEU HA A 30 LEU HDx% 1.0 0.0 3.14 1269 1054 A 30 LEU HA A 33 PHE HBx 1.0 0.0 4.53 1270 1054 A 30 LEU HA A 33 PHE HBy 1.0 0.0 4.53 1271 1055 A 30 LEU HDy% A 33 PHE HBx 1.0 0.0 4.23 1272 1055 A 30 LEU HDx% A 33 PHE HBx 1.0 0.0 4.23 1273 1055 A 33 PHE HBy A 30 LEU HDy% 1.0 0.0 4.23 1274 1055 A 30 LEU HDx% A 33 PHE HBy 1.0 0.0 4.23 1275 1056 A 33 PHE HE% A 30 LEU HDy% 1.0 0.0 3.96 1276 1056 A 30 LEU HDx% A 33 PHE HE% 1.0 0.0 3.96 1277 1057 A 35 ILE HA A 30 LEU HDy% 1.0 0.0 5.18 1278 1057 A 35 ILE HA A 30 LEU HDx% 1.0 0.0 5.18 1279 1058 A 30 LEU HDx% A 35 ILE HG1x 1.0 0.0 4.55 1280 1058 A 35 ILE HG1y A 30 LEU HDy% 1.0 0.0 4.55 1281 1058 A 30 LEU HDx% A 35 ILE HG1y 1.0 0.0 4.55 1282 1058 A 30 LEU HDy% A 35 ILE HG1x 1.0 0.0 4.55 1283 1059 A 35 ILE HD1% A 30 LEU HDy% 1.0 0.0 2.88 1284 1059 A 35 ILE HD1% A 30 LEU HDx% 1.0 0.0 2.88 1285 1060 A 30 LEU HDy% A 55 SER HBx 1.0 0.0 4.47 1286 1060 A 30 LEU HDx% A 55 SER HBx 1.0 0.0 4.47 1287 1060 A 55 SER HBy A 30 LEU HDy% 1.0 0.0 4.47 1288 1060 A 30 LEU HDx% A 55 SER HBy 1.0 0.0 4.47 1289 1061 A 31 THR H A 32 GLU HBx 1.0 0.0 4.86 1290 1061 A 31 THR H A 32 GLU HBy 1.0 0.0 4.86 1291 1062 A 32 GLU H A 32 GLU HBx 1.0 0.0 3.37 1292 1062 A 32 GLU H A 32 GLU HBy 1.0 0.0 3.37 1293 1063 A 32 GLU H A 32 GLU HGx 1.0 0.0 4.32 1294 1063 A 32 GLU H A 32 GLU HGy 1.0 0.0 4.32 1295 1064 A 32 GLU HA A 32 GLU HGx 1.0 0.0 3.63 1296 1064 A 32 GLU HA A 32 GLU HGy 1.0 0.0 3.63 1297 1065 A 33 PHE H A 32 GLU HBx 1.0 0.0 4.08 1298 1065 A 33 PHE H A 32 GLU HBy 1.0 0.0 4.08 1299 1066 A 33 PHE HD% A 32 GLU HBx 1.0 0.0 4.50 1300 1066 A 33 PHE HD% A 32 GLU HBy 1.0 0.0 4.50 1301 1067 A 33 PHE H A 33 PHE HBx 1.0 0.0 3.50 1302 1067 A 33 PHE H A 33 PHE HBy 1.0 0.0 3.50 1303 1068 A 35 ILE H A 33 PHE HBx 1.0 0.0 4.67 1304 1068 A 35 ILE H A 33 PHE HBy 1.0 0.0 4.67 1305 1069 A 35 ILE HB A 33 PHE HBx 1.0 0.0 4.76 1306 1069 A 35 ILE HB A 33 PHE HBy 1.0 0.0 4.76 1307 1070 A 33 PHE HBx A 55 SER HBx 1.0 0.0 5.03 1308 1070 A 33 PHE HBy A 55 SER HBx 1.0 0.0 5.03 1309 1070 A 55 SER HBy A 33 PHE HBx 1.0 0.0 5.03 1310 1070 A 33 PHE HBy A 55 SER HBy 1.0 0.0 5.03 1311 1071 A 33 PHE HD% A 55 SER HBx 1.0 0.0 4.47 1312 1071 A 33 PHE HD% A 55 SER HBy 1.0 0.0 4.47 1313 1072 A 34 GLN H A 34 GLN HBx 1.0 0.0 3.66 1314 1072 A 34 GLN H A 34 GLN HBy 1.0 0.0 3.66 1315 1073 A 34 GLN H A 34 GLN HGx 1.0 0.0 4.39 1316 1073 A 34 GLN H A 34 GLN HGy 1.0 0.0 4.39 1317 1074 A 34 GLN HA A 34 GLN HGx 1.0 0.0 3.44 1318 1074 A 34 GLN HA A 34 GLN HGy 1.0 0.0 3.44 1319 1075 A 34 GLN HBx A 34 GLN HGx 1.0 0.0 2.31 1320 1075 A 34 GLN HBy A 34 GLN HGx 1.0 0.0 2.31 1321 1075 A 34 GLN HGy A 34 GLN HBx 1.0 0.0 2.31 1322 1075 A 34 GLN HBy A 34 GLN HGy 1.0 0.0 2.31 1323 1076 A 35 ILE H A 34 GLN HBx 1.0 0.0 4.45 1324 1076 A 35 ILE H A 34 GLN HBy 1.0 0.0 4.45 1325 1077 A 35 ILE H A 34 GLN HGx 1.0 0.0 4.74 1326 1077 A 35 ILE H A 34 GLN HGy 1.0 0.0 4.74 1327 1078 A 35 ILE H A 35 ILE HG1x 1.0 0.0 4.71 1328 1078 A 35 ILE H A 35 ILE HG1y 1.0 0.0 4.71 1329 1079 A 36 ALA H A 35 ILE HG1x 1.0 0.0 4.41 1330 1079 A 36 ALA H A 35 ILE HG1y 1.0 0.0 4.41 1331 1080 A 36 ALA HB% A 35 ILE HG1x 1.0 0.0 4.04 1332 1080 A 36 ALA HB% A 35 ILE HG1y 1.0 0.0 4.04 1333 1081 A 36 ALA HA A 37 ARG HBx 1.0 0.0 4.52 1334 1081 A 36 ALA HA A 37 ARG HBy 1.0 0.0 4.52 1335 1082 A 37 ARG H A 37 ARG HBx 1.0 0.0 3.22 1336 1082 A 37 ARG H A 37 ARG HBy 1.0 0.0 3.22 1337 1083 A 37 ARG H A 37 ARG HGx 1.0 0.0 4.37 1338 1083 A 37 ARG H A 37 ARG HGy 1.0 0.0 4.37 1339 1084 A 37 ARG H A 37 ARG HDx 1.0 0.0 5.14 1340 1084 A 37 ARG H A 37 ARG HDy 1.0 0.0 5.14 1341 1085 A 37 ARG H A 40 LEU HDx% 1.0 0.0 4.99 1342 1085 A 37 ARG H A 40 LEU HD21 1.0 0.0 4.99 1343 1086 A 37 ARG HA A 37 ARG HGx 1.0 0.0 3.51 1344 1086 A 37 ARG HA A 37 ARG HGy 1.0 0.0 3.51 1345 1087 A 37 ARG HA A 37 ARG HDx 1.0 0.0 3.91 1346 1087 A 37 ARG HA A 37 ARG HDy 1.0 0.0 3.91 1347 1088 A 37 ARG HA A 40 LEU HBx 1.0 0.0 5.05 1348 1088 A 37 ARG HA A 40 LEU HBy 1.0 0.0 5.05 1349 1089 A 37 ARG HA A 40 LEU HDx% 1.0 0.0 3.46 1350 1089 A 37 ARG HA A 40 LEU HD21 1.0 0.0 3.46 1351 1090 A 38 SER H A 37 ARG HBx 1.0 0.0 3.94 1352 1090 A 38 SER H A 37 ARG HBy 1.0 0.0 3.94 1353 1091 A 37 ARG HDx A 37 ARG HGx 1.0 0.0 2.36 1354 1091 A 37 ARG HGy A 37 ARG HDx 1.0 0.0 2.36 1355 1091 A 37 ARG HGy A 37 ARG HDy 1.0 0.0 2.36 1356 1091 A 37 ARG HDy A 37 ARG HGx 1.0 0.0 2.36 1357 1092 A 38 SER H A 37 ARG HGx 1.0 0.0 4.77 1358 1092 A 38 SER H A 37 ARG HGy 1.0 0.0 4.77 1359 1093 A 39 THR H A 37 ARG HGx 1.0 0.0 5.34 1360 1093 A 39 THR H A 37 ARG HGy 1.0 0.0 5.34 1361 1094 A 40 LEU H A 37 ARG HGx 1.0 0.0 5.34 1362 1094 A 40 LEU H A 37 ARG HGy 1.0 0.0 5.34 1363 1095 A 37 ARG HGx A 40 LEU HDx% 1.0 0.0 3.95 1364 1095 A 37 ARG HGy A 40 LEU HDx% 1.0 0.0 3.95 1365 1095 A 40 LEU HD21 A 37 ARG HGx 1.0 0.0 3.95 1366 1095 A 40 LEU HD21 A 37 ARG HGy 1.0 0.0 3.95 1367 1096 A 37 ARG HH1% A 37 ARG HDx 1.0 0.0 3.33 1368 1096 A 37 ARG HDy A 37 ARG HH1% 1.0 0.0 3.33 1369 1097 A 38 SER HA A 37 ARG HDx 1.0 0.0 3.66 1370 1097 A 37 ARG HDy A 38 SER HA 1.0 0.0 3.66 1371 1098 A 37 ARG HDy A 40 LEU HDx% 1.0 0.0 4.30 1372 1098 A 37 ARG HDx A 40 LEU HDx% 1.0 0.0 4.30 1373 1098 A 40 LEU HD21 A 37 ARG HDx 1.0 0.0 4.30 1374 1098 A 40 LEU HD21 A 37 ARG HDy 1.0 0.0 4.30 1375 1099 A 38 SER H A 38 SER HBx 1.0 0.0 3.29 1376 1099 A 38 SER H A 38 SER HBy 1.0 0.0 3.29 1377 1100 A 38 SER H A 40 LEU HDx% 1.0 0.0 5.44 1378 1100 A 38 SER H A 40 LEU HD21 1.0 0.0 5.44 1379 1101 A 38 SER HA A 41 ASP HBx 1.0 0.0 4.57 1380 1101 A 38 SER HA A 41 ASP HBy 1.0 0.0 4.57 1381 1102 A 39 THR HA A 41 ASP HBx 1.0 0.0 4.25 1382 1102 A 39 THR HA A 41 ASP HBy 1.0 0.0 4.25 1383 1103 A 40 LEU H A 40 LEU HDx% 1.0 0.0 4.93 1384 1103 A 40 LEU H A 40 LEU HD21 1.0 0.0 4.93 1385 1104 A 40 LEU H A 41 ASP HBx 1.0 0.0 4.76 1386 1104 A 40 LEU H A 41 ASP HBy 1.0 0.0 4.76 1387 1105 A 40 LEU HA A 40 LEU HDx% 1.0 0.0 4.04 1388 1105 A 40 LEU HA A 40 LEU HD21 1.0 0.0 4.04 1389 1106 A 41 ASP H A 40 LEU HBx 1.0 0.0 4.07 1390 1106 A 41 ASP H A 40 LEU HBy 1.0 0.0 4.07 1391 1107 A 41 ASP H A 40 LEU HDx% 1.0 0.0 5.37 1392 1107 A 41 ASP H A 40 LEU HD21 1.0 0.0 5.37 1393 1108 A 41 ASP HA A 40 LEU HDx% 1.0 0.0 5.44 1394 1108 A 41 ASP HA A 40 LEU HD21 1.0 0.0 5.44 1395 1109 A 41 ASP H A 41 ASP HBx 1.0 0.0 3.51 1396 1109 A 41 ASP H A 41 ASP HBy 1.0 0.0 3.51 1397 1110 A 42 VAL H A 41 ASP HBx 1.0 0.0 3.75 1398 1110 A 42 VAL H A 41 ASP HBy 1.0 0.0 3.75 1399 1111 A 42 VAL HG2% A 41 ASP HBx 1.0 0.0 4.32 1400 1111 A 42 VAL HG2% A 41 ASP HBy 1.0 0.0 4.32 1401 1112 A 42 VAL HB A 45 ARG HDx 1.0 0.0 4.49 1402 1112 A 42 VAL HB A 45 ARG HDy 1.0 0.0 4.49 1403 1113 A 42 VAL HG2% A 45 ARG HGx 1.0 0.0 3.99 1404 1113 A 42 VAL HG2% A 45 ARG HGy 1.0 0.0 3.99 1405 1114 A 42 VAL HG2% A 47 GLU HGx 1.0 0.0 3.74 1406 1114 A 42 VAL HG2% A 47 GLU HGy 1.0 0.0 3.74 1407 1115 A 43 ALA HA A 47 GLU HGx 1.0 0.0 4.49 1408 1115 A 43 ALA HA A 47 GLU HGy 1.0 0.0 4.49 1409 1116 A 44 ASP H A 44 ASP HBx 1.0 0.0 3.48 1410 1116 A 44 ASP H A 44 ASP HBy 1.0 0.0 3.48 1411 1117 A 44 ASP H A 45 ARG HGx 1.0 0.0 4.43 1412 1117 A 44 ASP H A 45 ARG HGy 1.0 0.0 4.43 1413 1118 A 45 ARG H A 45 ARG HBy 1.0 0.0 3.28 1414 1118 A 45 ARG H A 45 ARG HBx 1.0 0.0 3.28 1415 1119 A 45 ARG H A 45 ARG HGx 1.0 0.0 3.89 1416 1119 A 45 ARG H A 45 ARG HGy 1.0 0.0 3.89 1417 1120 A 45 ARG HA A 45 ARG HGx 1.0 0.0 3.49 1418 1120 A 45 ARG HA A 45 ARG HGy 1.0 0.0 3.49 1419 1121 A 45 ARG HA A 45 ARG HDx 1.0 0.0 4.65 1420 1121 A 45 ARG HA A 45 ARG HDy 1.0 0.0 4.65 1421 1122 A 45 ARG HBy A 45 ARG HDx 1.0 0.0 3.30 1422 1122 A 45 ARG HBx A 45 ARG HDx 1.0 0.0 3.30 1423 1122 A 45 ARG HDy A 45 ARG HBy 1.0 0.0 3.30 1424 1122 A 45 ARG HBx A 45 ARG HDy 1.0 0.0 3.30 1425 1123 A 46 THR H A 45 ARG HBy 1.0 0.0 3.10 1426 1123 A 46 THR H A 45 ARG HBx 1.0 0.0 3.10 1427 1124 A 46 THR H A 45 ARG HGx 1.0 0.0 3.51 1428 1124 A 46 THR H A 45 ARG HGy 1.0 0.0 3.51 1429 1125 A 49 ALA H A 48 LEU HBx 1.0 0.0 3.47 1430 1125 A 49 ALA H A 48 LEU HBy 1.0 0.0 3.47 1431 1126 A 51 HIS H A 48 LEU HBx 1.0 0.0 5.09 1432 1126 A 51 HIS H A 48 LEU HBy 1.0 0.0 5.09 1433 1127 A 52 LEU HD2% A 48 LEU HBx 1.0 0.0 4.02 1434 1127 A 52 LEU HD2% A 48 LEU HBy 1.0 0.0 4.02 1435 1128 A 49 ALA HA A 53 ILE HG1y 1.0 0.0 3.91 1436 1128 A 49 ALA HA A 53 ILE HG1x 1.0 0.0 3.91 1437 1129 A 49 ALA HB% A 53 ILE HG1y 1.0 0.0 4.41 1438 1129 A 49 ALA HB% A 53 ILE HG1x 1.0 0.0 4.41 1439 1130 A 50 ASP H A 50 ASP HBy 1.0 0.0 3.29 1440 1130 A 50 ASP H A 50 ASP HBx 1.0 0.0 3.29 1441 1131 A 50 ASP H A 53 ILE HG1y 1.0 0.0 4.88 1442 1131 A 50 ASP H A 53 ILE HG1x 1.0 0.0 4.88 1443 1132 A 50 ASP HA A 53 ILE HG1y 1.0 0.0 3.58 1444 1132 A 50 ASP HA A 53 ILE HG1x 1.0 0.0 3.58 1445 1133 A 51 HIS H A 50 ASP HBy 1.0 0.0 3.62 1446 1133 A 51 HIS H A 50 ASP HBx 1.0 0.0 3.62 1447 1134 A 51 HIS HA A 50 ASP HBy 1.0 0.0 4.25 1448 1134 A 51 HIS HA A 50 ASP HBx 1.0 0.0 4.25 1449 1135 A 51 HIS H A 53 ILE HG1y 1.0 0.0 5.34 1450 1135 A 51 HIS H A 53 ILE HG1x 1.0 0.0 5.34 1451 1136 A 51 HIS HA A 54 GLN HBx 1.0 0.0 3.89 1452 1136 A 51 HIS HA A 54 GLN HBy 1.0 0.0 3.89 1453 1137 A 52 LEU HA A 55 SER HBx 1.0 0.0 3.98 1454 1137 A 52 LEU HA A 55 SER HBy 1.0 0.0 3.98 1455 1138 A 53 ILE H A 53 ILE HG1y 1.0 0.0 3.44 1456 1138 A 53 ILE H A 53 ILE HG1x 1.0 0.0 3.44 1457 1139 A 53 ILE HA A 53 ILE HG1y 1.0 0.0 3.42 1458 1139 A 53 ILE HA A 53 ILE HG1x 1.0 0.0 3.42 1459 1140 A 54 GLN H A 53 ILE HG1y 1.0 0.0 5.01 1460 1140 A 54 GLN H A 53 ILE HG1x 1.0 0.0 5.01 1461 1141 A 57 GLY H A 53 ILE HG1y 1.0 0.0 5.34 1462 1141 A 57 GLY H A 53 ILE HG1x 1.0 0.0 5.34 1463 1142 A 53 ILE HG1x A 57 GLY HAx 1.0 0.0 5.13 1464 1142 A 53 ILE HG1y A 57 GLY HAx 1.0 0.0 5.13 1465 1142 A 57 GLY HAy A 53 ILE HG1y 1.0 0.0 5.13 1466 1142 A 53 ILE HG1x A 57 GLY HAy 1.0 0.0 5.13 1467 1143 A 58 ALA H A 53 ILE HG1y 1.0 0.0 4.57 1468 1143 A 58 ALA H A 53 ILE HG1x 1.0 0.0 4.57 1469 1144 A 58 ALA HA A 53 ILE HG1y 1.0 0.0 3.22 1470 1144 A 58 ALA HA A 53 ILE HG1x 1.0 0.0 3.22 1471 1145 A 58 ALA HB% A 53 ILE HG1y 1.0 0.0 3.17 1472 1145 A 58 ALA HB% A 53 ILE HG1x 1.0 0.0 3.17 1473 1146 A 62 VAL HG2% A 53 ILE HG1y 1.0 0.0 3.61 1474 1146 A 62 VAL HG2% A 53 ILE HG1x 1.0 0.0 3.61 1475 1147 A 54 GLN H A 54 GLN HBx 1.0 0.0 3.18 1476 1147 A 54 GLN H A 54 GLN HBy 1.0 0.0 3.18 1477 1148 A 54 GLN H A 54 GLN HGx 1.0 0.0 4.14 1478 1148 A 54 GLN H A 54 GLN HGy 1.0 0.0 4.14 1479 1149 A 54 GLN HA A 54 GLN HGx 1.0 0.0 3.34 1480 1149 A 54 GLN HA A 54 GLN HGy 1.0 0.0 3.34 1481 1150 A 54 GLN HBx A 54 GLN HGx 1.0 0.0 2.31 1482 1150 A 54 GLN HBy A 54 GLN HGx 1.0 0.0 2.31 1483 1150 A 54 GLN HGy A 54 GLN HBx 1.0 0.0 2.31 1484 1150 A 54 GLN HBy A 54 GLN HGy 1.0 0.0 2.31 1485 1151 A 55 SER H A 54 GLN HBx 1.0 0.0 3.59 1486 1151 A 55 SER H A 54 GLN HBy 1.0 0.0 3.59 1487 1152 A 54 GLN HBy A 55 SER HBx 1.0 0.0 4.54 1488 1152 A 54 GLN HBx A 55 SER HBx 1.0 0.0 4.54 1489 1152 A 55 SER HBy A 54 GLN HBx 1.0 0.0 4.54 1490 1152 A 55 SER HBy A 54 GLN HBy 1.0 0.0 4.54 1491 1153 A 55 SER H A 54 GLN HGx 1.0 0.0 5.12 1492 1153 A 55 SER H A 54 GLN HGy 1.0 0.0 5.12 1493 1154 A 55 SER H A 55 SER HBx 1.0 0.0 3.20 1494 1154 A 55 SER H A 55 SER HBy 1.0 0.0 3.20 1495 1155 A 56 ALA H A 55 SER HBx 1.0 0.0 3.62 1496 1155 A 56 ALA H A 55 SER HBy 1.0 0.0 3.62 1497 1156 A 56 ALA HB% A 55 SER HBx 1.0 0.0 5.25 1498 1156 A 56 ALA HB% A 55 SER HBy 1.0 0.0 5.25 1499 1157 A 61 ALA HB% A 55 SER HBx 1.0 0.0 5.34 1500 1157 A 61 ALA HB% A 55 SER HBy 1.0 0.0 5.34 1501 1158 A 56 ALA HA A 60 SER HBx 1.0 0.0 4.91 1502 1158 A 56 ALA HA A 60 SER HBy 1.0 0.0 4.91 1503 1159 A 56 ALA HB% A 57 GLY HAx 1.0 0.0 5.06 1504 1159 A 56 ALA HB% A 57 GLY HAy 1.0 0.0 5.06 1505 1160 A 57 GLY H A 60 SER HBx 1.0 0.0 4.85 1506 1160 A 57 GLY H A 60 SER HBy 1.0 0.0 4.85 1507 1161 A 58 ALA HB% A 57 GLY HAx 1.0 0.0 5.34 1508 1161 A 58 ALA HB% A 57 GLY HAy 1.0 0.0 5.34 1509 1162 A 61 ALA HB% A 57 GLY HAx 1.0 0.0 5.34 1510 1162 A 61 ALA HB% A 57 GLY HAy 1.0 0.0 5.34 1511 1163 A 59 ALA H A 92 LEU HDx% 1.0 0.0 4.70 1512 1163 A 59 ALA H A 92 LEU HD21 1.0 0.0 4.70 1513 1164 A 59 ALA HB% A 60 SER HBx 1.0 0.0 5.06 1514 1164 A 59 ALA HB% A 60 SER HBy 1.0 0.0 5.06 1515 1165 A 59 ALA HB% A 92 LEU HBx 1.0 0.0 4.41 1516 1165 A 59 ALA HB% A 92 LEU HBy 1.0 0.0 4.41 1517 1166 A 60 SER H A 60 SER HBx 1.0 0.0 3.14 1518 1166 A 60 SER H A 60 SER HBy 1.0 0.0 3.14 1519 1167 A 64 LYS H A 64 LYS HDx 1.0 0.0 4.24 1520 1167 A 64 LYS H A 64 LYS HDy 1.0 0.0 4.24 1521 1168 A 65 ALA H A 64 LYS HDx 1.0 0.0 4.05 1522 1168 A 65 ALA H A 64 LYS HDy 1.0 0.0 4.05 1523 1169 A 65 ALA HB% A 64 LYS HDx 1.0 0.0 4.03 1524 1169 A 65 ALA HB% A 64 LYS HDy 1.0 0.0 4.03 1525 1170 A 66 ILE H A 64 LYS HDx 1.0 0.0 5.34 1526 1170 A 66 ILE H A 64 LYS HDy 1.0 0.0 5.34 1527 1171 A 68 ILE HD1% A 64 LYS HDx 1.0 0.0 4.05 1528 1171 A 68 ILE HD1% A 64 LYS HDy 1.0 0.0 4.05 1529 1172 A 66 ILE HG2% A 70 GLN HGy 1.0 0.0 4.72 1530 1172 A 66 ILE HG2% A 70 GLN HGx 1.0 0.0 4.72 1531 1173 A 66 ILE HG2% A 70 GLN HE2y 1.0 0.0 4.34 1532 1173 A 66 ILE HG2% A 70 GLN HE2x 1.0 0.0 4.34 1533 1174 A 66 ILE HG2% A 82 GLU HGx 1.0 0.0 4.38 1534 1174 A 66 ILE HG2% A 82 GLU HGy 1.0 0.0 4.38 1535 1175 A 66 ILE HD1% A 70 GLN HGy 1.0 0.0 5.34 1536 1175 A 66 ILE HD1% A 70 GLN HGx 1.0 0.0 5.34 1537 1176 A 66 ILE HD1% A 81 LEU HBx 1.0 0.0 3.84 1538 1176 A 66 ILE HD1% A 81 LEU HBy 1.0 0.0 3.84 1539 1177 A 66 ILE HD1% A 82 GLU HGx 1.0 0.0 4.94 1540 1177 A 66 ILE HD1% A 82 GLU HGy 1.0 0.0 4.94 1541 1178 A 67 ASN H A 70 GLN HGy 1.0 0.0 4.36 1542 1178 A 67 ASN H A 70 GLN HGx 1.0 0.0 4.36 1543 1179 A 67 ASN HA A 70 GLN HGy 1.0 0.0 3.98 1544 1179 A 67 ASN HA A 70 GLN HGx 1.0 0.0 3.98 1545 1180 A 68 ILE H A 67 ASN HBy 1.0 0.0 3.78 1546 1180 A 68 ILE H A 67 ASN HBx 1.0 0.0 3.78 1547 1181 A 68 ILE HA A 71 LYS HBx 1.0 0.0 3.93 1548 1181 A 68 ILE HA A 71 LYS HBy 1.0 0.0 3.93 1549 1182 A 70 GLN H A 70 GLN HGy 1.0 0.0 3.43 1550 1182 A 70 GLN H A 70 GLN HGx 1.0 0.0 3.43 1551 1183 A 70 GLN HA A 70 GLN HGy 1.0 0.0 3.66 1552 1183 A 70 GLN HA A 70 GLN HGx 1.0 0.0 3.66 1553 1184 A 71 LYS H A 70 GLN HGy 1.0 0.0 4.49 1554 1184 A 71 LYS H A 70 GLN HGx 1.0 0.0 4.49 1555 1185 A 70 GLN HGx A 71 LYS HBx 1.0 0.0 3.78 1556 1185 A 70 GLN HGy A 71 LYS HBx 1.0 0.0 3.78 1557 1185 A 71 LYS HBy A 70 GLN HGy 1.0 0.0 3.78 1558 1185 A 70 GLN HGx A 71 LYS HBy 1.0 0.0 3.78 1559 1186 A 78 ALA HB% A 70 GLN HGy 1.0 0.0 3.63 1560 1186 A 78 ALA HB% A 70 GLN HGx 1.0 0.0 3.63 1561 1187 A 78 ALA HB% A 70 GLN HE2y 1.0 0.0 4.34 1562 1187 A 78 ALA HB% A 70 GLN HE2x 1.0 0.0 4.34 1563 1188 A 71 LYS H A 71 LYS HGx 1.0 0.0 4.56 1564 1188 A 71 LYS H A 71 LYS HGy 1.0 0.0 4.56 1565 1189 A 71 LYS H A 71 LYS HDx 1.0 0.0 5.20 1566 1189 A 71 LYS H A 71 LYS HDy 1.0 0.0 5.20 1567 1190 A 71 LYS HA A 71 LYS HGx 1.0 0.0 3.41 1568 1190 A 71 LYS HA A 71 LYS HGy 1.0 0.0 3.41 1569 1191 A 71 LYS HBx A 71 LYS HDx 1.0 0.0 3.26 1570 1191 A 71 LYS HBy A 71 LYS HDx 1.0 0.0 3.26 1571 1191 A 71 LYS HDy A 71 LYS HBx 1.0 0.0 3.26 1572 1191 A 71 LYS HBy A 71 LYS HDy 1.0 0.0 3.26 1573 1192 A 71 LYS HBy A 71 LYS HEx 1.0 0.0 3.14 1574 1192 A 71 LYS HBx A 71 LYS HEx 1.0 0.0 3.14 1575 1192 A 71 LYS HEy A 71 LYS HBx 1.0 0.0 3.14 1576 1192 A 71 LYS HBy A 71 LYS HEy 1.0 0.0 3.14 1577 1193 A 72 LEU HA A 72 LEU HDx% 1.0 0.0 3.29 1578 1193 A 72 LEU HA A 72 LEU HDy% 1.0 0.0 3.29 1579 1194 A 72 LEU HB2 A 72 LEU HDx% 1.0 0.0 3.10 1580 1194 A 72 LEU HB2 A 72 LEU HDy% 1.0 0.0 3.10 1581 1195 A 73 ASN HA A 72 LEU HDx% 1.0 0.0 5.44 1582 1195 A 72 LEU HDy% A 73 ASN HA 1.0 0.0 5.44 1583 1196 A 73 ASN H A 73 ASN HBy 1.0 0.0 3.54 1584 1196 A 73 ASN H A 73 ASN HBx 1.0 0.0 3.54 1585 1197 A 74 TYR H A 74 TYR HBy 1.0 0.0 3.49 1586 1197 A 74 TYR H A 74 TYR HBx 1.0 0.0 3.49 1587 1198 A 77 ILE H A 74 TYR HBy 1.0 0.0 4.08 1588 1198 A 77 ILE H A 74 TYR HBx 1.0 0.0 4.08 1589 1199 A 77 ILE HB A 74 TYR HBy 1.0 0.0 4.08 1590 1199 A 77 ILE HB A 74 TYR HBx 1.0 0.0 4.08 1591 1200 A 74 TYR HBy A 77 ILE HG1y 1.0 0.0 4.32 1592 1200 A 74 TYR HBx A 77 ILE HG1y 1.0 0.0 4.32 1593 1200 A 77 ILE HG1x A 74 TYR HBy 1.0 0.0 4.32 1594 1200 A 77 ILE HG1x A 74 TYR HBx 1.0 0.0 4.32 1595 1201 A 77 ILE HD1% A 74 TYR HBy 1.0 0.0 3.66 1596 1201 A 77 ILE HD1% A 74 TYR HBx 1.0 0.0 3.66 1597 1202 A 78 ALA H A 74 TYR HBy 1.0 0.0 4.38 1598 1202 A 78 ALA H A 74 TYR HBx 1.0 0.0 4.38 1599 1203 A 78 ALA HB% A 74 TYR HBy 1.0 0.0 5.10 1600 1203 A 78 ALA HB% A 74 TYR HBx 1.0 0.0 5.10 1601 1204 A 75 MET H A 75 MET HBx 1.0 0.0 3.45 1602 1204 A 75 MET H A 75 MET HBy 1.0 0.0 3.45 1603 1205 A 75 MET H A 75 MET HGx 1.0 0.0 3.55 1604 1205 A 75 MET H A 75 MET HGy 1.0 0.0 3.55 1605 1206 A 75 MET H A 76 HIS HBx 1.0 0.0 4.99 1606 1206 A 75 MET H A 76 HIS HBy 1.0 0.0 4.99 1607 1207 A 76 HIS H A 76 HIS HBx 1.0 0.0 3.57 1608 1207 A 76 HIS H A 76 HIS HBy 1.0 0.0 3.57 1609 1208 A 77 ILE H A 77 ILE HG1y 1.0 0.0 3.94 1610 1208 A 77 ILE H A 77 ILE HG1x 1.0 0.0 3.94 1611 1209 A 77 ILE HA A 77 ILE HG1y 1.0 0.0 3.70 1612 1209 A 77 ILE HA A 77 ILE HG1x 1.0 0.0 3.70 1613 1210 A 77 ILE HG2% A 77 ILE HG1y 1.0 0.0 3.14 1614 1210 A 77 ILE HG2% A 77 ILE HG1x 1.0 0.0 3.14 1615 1211 A 78 ALA H A 77 ILE HG1y 1.0 0.0 4.86 1616 1211 A 78 ALA H A 77 ILE HG1x 1.0 0.0 4.86 1617 1212 A 79 ASN HA A 82 GLU HGx 1.0 0.0 4.67 1618 1212 A 79 ASN HA A 82 GLU HGy 1.0 0.0 4.67 1619 1213 A 80 ALA H A 81 LEU HBx 1.0 0.0 5.24 1620 1213 A 80 ALA H A 81 LEU HBy 1.0 0.0 5.24 1621 1214 A 81 LEU H A 81 LEU HBx 1.0 0.0 3.49 1622 1214 A 81 LEU H A 81 LEU HBy 1.0 0.0 3.49 1623 1215 A 81 LEU H A 82 GLU HGx 1.0 0.0 4.89 1624 1215 A 81 LEU H A 82 GLU HGy 1.0 0.0 4.89 1625 1216 A 82 GLU H A 81 LEU HBx 1.0 0.0 3.91 1626 1216 A 82 GLU H A 81 LEU HBy 1.0 0.0 3.91 1627 1217 A 82 GLU H A 82 GLU HGx 1.0 0.0 3.18 1628 1217 A 82 GLU H A 82 GLU HGy 1.0 0.0 3.18 1629 1218 A 82 GLU HA A 82 GLU HGx 1.0 0.0 3.56 1630 1218 A 82 GLU HA A 82 GLU HGy 1.0 0.0 3.56 1631 1219 A 82 GLU HB3 A 82 GLU HGx 1.0 0.0 2.56 1632 1219 A 82 GLU HB3 A 82 GLU HGy 1.0 0.0 2.56 1633 1220 A 83 GLU H A 82 GLU HGx 1.0 0.0 3.32 1634 1220 A 83 GLU H A 82 GLU HGy 1.0 0.0 3.32 1635 1221 A 83 GLU HA A 82 GLU HGx 1.0 0.0 3.96 1636 1221 A 82 GLU HGy A 83 GLU HA 1.0 0.0 3.96 1637 1222 A 83 GLU H A 83 GLU HBx 1.0 0.0 2.77 1638 1222 A 83 GLU H A 83 GLU HBy 1.0 0.0 2.77 1639 1223 A 83 GLU HA A 83 GLU HGx 1.0 0.0 3.66 1640 1223 A 83 GLU HA A 83 GLU HGy 1.0 0.0 3.66 1641 1224 A 83 GLU HBx A 83 GLU HGx 1.0 0.0 2.29 1642 1224 A 83 GLU HBy A 83 GLU HGx 1.0 0.0 2.29 1643 1224 A 83 GLU HGy A 83 GLU HBx 1.0 0.0 2.29 1644 1224 A 83 GLU HBy A 83 GLU HGy 1.0 0.0 2.29 1645 1225 A 84 LYS H A 83 GLU HBx 1.0 0.0 3.33 1646 1225 A 84 LYS H A 83 GLU HBy 1.0 0.0 3.33 1647 1226 A 84 LYS H A 83 GLU HGx 1.0 0.0 4.06 1648 1226 A 84 LYS H A 83 GLU HGy 1.0 0.0 4.06 1649 1227 A 88 ALA H A 84 LYS HGx 1.0 0.0 3.91 1650 1227 A 88 ALA H A 84 LYS HGy 1.0 0.0 3.91 1651 1228 A 88 ALA HB% A 84 LYS HGx 1.0 0.0 3.53 1652 1228 A 88 ALA HB% A 84 LYS HGy 1.0 0.0 3.53 1653 1229 A 91 LYS HDy A 84 LYS HGx 1.0 0.0 3.88 1654 1229 A 91 LYS HDy A 84 LYS HGy 1.0 0.0 3.88 1655 1230 A 86 LYS H A 86 LYS HGx 1.0 0.0 4.06 1656 1230 A 86 LYS H A 86 LYS HGy 1.0 0.0 4.06 1657 1231 A 86 LYS H A 86 LYS HDx 1.0 0.0 4.55 1658 1231 A 86 LYS H A 86 LYS HDy 1.0 0.0 4.55 1659 1232 A 86 LYS H A 86 LYS HEx 1.0 0.0 4.84 1660 1232 A 86 LYS H A 86 LYS HEy 1.0 0.0 4.84 1661 1233 A 87 GLU H A 86 LYS HGx 1.0 0.0 4.82 1662 1233 A 87 GLU H A 86 LYS HGy 1.0 0.0 4.82 1663 1234 A 87 GLU HA A 87 GLU HGy 1.0 0.0 3.31 1664 1234 A 87 GLU HA A 87 GLU HGx 1.0 0.0 3.31 1665 1235 A 87 GLU HA A 90 ARG HDx 1.0 0.0 4.40 1666 1235 A 87 GLU HA A 90 ARG HDy 1.0 0.0 4.40 1667 1236 A 88 ALA H A 87 GLU HGy 1.0 0.0 4.23 1668 1236 A 88 ALA H A 87 GLU HGx 1.0 0.0 4.23 1669 1237 A 88 ALA HA A 87 GLU HGy 1.0 0.0 4.23 1670 1237 A 88 ALA HA A 87 GLU HGx 1.0 0.0 4.23 1671 1238 A 90 ARG HB3 A 87 GLU HGy 1.0 0.0 5.20 1672 1238 A 90 ARG HB3 A 87 GLU HGx 1.0 0.0 5.20 1673 1239 A 90 ARG HG2 A 87 GLU HGy 1.0 0.0 3.14 1674 1239 A 90 ARG HG2 A 87 GLU HGx 1.0 0.0 3.14 1675 1240 A 88 ALA HA A 91 LYS HBx 1.0 0.0 3.42 1676 1240 A 88 ALA HA A 91 LYS HBy 1.0 0.0 3.42 1677 1241 A 88 ALA HB% A 89 GLU HBy 1.0 0.0 5.17 1678 1241 A 88 ALA HB% A 89 GLU HBx 1.0 0.0 5.17 1679 1242 A 88 ALA HB% A 89 GLU HGx 1.0 0.0 4.24 1680 1242 A 88 ALA HB% A 89 GLU HGy 1.0 0.0 4.24 1681 1243 A 89 GLU H A 89 GLU HBy 1.0 0.0 3.11 1682 1243 A 89 GLU H A 89 GLU HBx 1.0 0.0 3.11 1683 1244 A 90 ARG H A 89 GLU HBy 1.0 0.0 3.62 1684 1244 A 90 ARG H A 89 GLU HBx 1.0 0.0 3.62 1685 1245 A 91 LYS H A 89 GLU HBy 1.0 0.0 4.82 1686 1245 A 91 LYS H A 89 GLU HBx 1.0 0.0 4.82 1687 1246 A 90 ARG HB3 A 90 ARG HDx 1.0 0.0 3.68 1688 1246 A 90 ARG HB3 A 90 ARG HDy 1.0 0.0 3.68 1689 1247 A 90 ARG HG2 A 90 ARG HDx 1.0 0.0 2.61 1690 1247 A 90 ARG HG2 A 90 ARG HDy 1.0 0.0 2.61 1691 1248 A 91 LYS H A 91 LYS HBx 1.0 0.0 3.11 1692 1248 A 91 LYS H A 91 LYS HBy 1.0 0.0 3.11 1693 1249 A 91 LYS HDy A 91 LYS HBx 1.0 0.0 2.86 1694 1249 A 91 LYS HDy A 91 LYS HBy 1.0 0.0 2.86 1695 1250 A 91 LYS HBx A 91 LYS HEx 1.0 0.0 4.50 1696 1250 A 91 LYS HBy A 91 LYS HEx 1.0 0.0 4.50 1697 1250 A 91 LYS HEy A 91 LYS HBx 1.0 0.0 4.50 1698 1250 A 91 LYS HEy A 91 LYS HBy 1.0 0.0 4.50 1699 1251 A 91 LYS HBx A 92 LEU HDx% 1.0 0.0 4.66 1700 1251 A 91 LYS HBy A 92 LEU HDx% 1.0 0.0 4.66 1701 1251 A 92 LEU HD21 A 91 LYS HBx 1.0 0.0 4.66 1702 1251 A 92 LEU HD21 A 91 LYS HBy 1.0 0.0 4.66 1703 1252 A 92 LEU H A 92 LEU HBx 1.0 0.0 3.51 1704 1252 A 92 LEU H A 92 LEU HBy 1.0 0.0 3.51 1705 1253 A 92 LEU H A 92 LEU HDx% 1.0 0.0 4.20 1706 1253 A 92 LEU H A 92 LEU HD21 1.0 0.0 4.20 1707 1254 A 92 LEU HA A 92 LEU HDx% 1.0 0.0 3.31 1708 1254 A 92 LEU HA A 92 LEU HD21 1.0 0.0 3.31 1709 1255 A 93 MET H A 92 LEU HDx% 1.0 0.0 4.80 1710 1255 A 93 MET H A 92 LEU HD21 1.0 0.0 4.80 1711 1256 A 93 MET H A 93 MET HBy 1.0 0.0 3.33 1712 1256 A 93 MET H A 93 MET HBx 1.0 0.0 3.33 1713 1257 A 93 MET H A 93 MET HGx 1.0 0.0 4.46 1714 1257 A 93 MET H A 93 MET HGy 1.0 0.0 4.46 1715 1258 A 94 THR H A 93 MET HBy 1.0 0.0 3.87 1716 1258 A 94 THR H A 93 MET HBx 1.0 0.0 3.87 1717 1259 A 95 ASN H A 95 ASN HBx 1.0 0.0 3.66 1718 1259 A 95 ASN H A 95 ASN HBy 1.0 0.0 3.66 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 2 GLU N A 2 GLU CA A 2 GLU C A 3 SER N 1.0 -55.6 -30.0 PSI 2 2 A 1 MET C A 2 GLU N A 2 GLU CA A 2 GLU C 1.0 -70.2 -49.2 PHI 3 3 A 3 SER N A 3 SER CA A 3 SER C A 4 GLU N 1.0 -54.7 -24.5 PSI 4 4 A 2 GLU C A 3 SER N A 3 SER CA A 3 SER C 1.0 -69.5 -54.9 PHI 5 5 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 TYR N 1.0 -52.9 -30.3 PSI 6 6 A 3 SER C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -75.3 -58.7 PHI 7 7 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 ARG N 1.0 -51.5 -25.1 PSI 8 8 A 4 GLU C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -86.4 -48.6 PHI 9 9 A 6 ARG N A 6 ARG CA A 6 ARG C A 7 GLU N 1.0 -59.8 -27.0 PSI 10 10 A 5 TYR C A 6 ARG N A 6 ARG CA A 6 ARG C 1.0 -81.6 -42.0 PHI 11 11 A 7 GLU N A 7 GLU CA A 7 GLU C A 8 MET N 1.0 -52.6 -32.0 PSI 12 12 A 6 ARG C A 7 GLU N A 7 GLU CA A 7 GLU C 1.0 -71.3 -49.1 PHI 13 13 A 8 MET N A 8 MET CA A 8 MET C A 9 LEU N 1.0 -49.5 -22.1 PSI 14 14 A 7 GLU C A 8 MET N A 8 MET CA A 8 MET C 1.0 -78.0 -53.4 PHI 15 15 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 LEU N 1.0 -55.8 -32.8 PSI 16 16 A 8 MET C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -69.8 -56.6 PHI 17 17 A 10 LEU N A 10 LEU CA A 10 LEU C A 11 LEU N 1.0 -61.2 -29.8 PSI 18 18 A 9 LEU C A 10 LEU N A 10 LEU CA A 10 LEU C 1.0 -82.9 -43.9 PHI 19 19 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 THR N 1.0 -54.8 -24.2 PSI 20 20 A 10 LEU C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -69.5 -50.5 PHI 21 21 A 12 THR N A 12 THR CA A 12 THR C A 13 GLY N 1.0 -59.9 0.9 PSI 22 22 A 11 LEU C A 12 THR N A 12 THR CA A 12 THR C 1.0 -92.9 -52.7 PHI 23 23 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 LEU N 1.0 -96.3 13.5 PSI 24 24 A 12 THR C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -122.4 -22.0 PHI 25 25 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 ASP N 1.0 -59.0 7.4 PSI 26 26 A 13 GLY C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -83.2 -39.8 PHI 27 27 A 15 ASP N A 15 ASP CA A 15 ASP C A 16 HIS N 1.0 -42.1 10.5 PSI 28 28 A 14 LEU C A 15 ASP N A 15 ASP CA A 15 ASP C 1.0 -80.8 -55.4 PHI 29 29 A 16 HIS N A 16 HIS CA A 16 HIS C A 17 ILE N 1.0 -47.5 46.1 PSI 30 30 A 15 ASP C A 16 HIS N A 16 HIS CA A 16 HIS C 1.0 -134.0 -62.0 PHI 31 31 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 THR N 1.0 92.8 206.4 PSI 32 32 A 16 HIS C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -152.9 -79.1 PHI 33 33 A 18 THR N A 18 THR CA A 18 THR C A 19 GLU N 1.0 144.4 200.4 PSI 34 34 A 17 ILE C A 18 THR N A 18 THR CA A 18 THR C 1.0 -140.7 -43.3 PHI 35 35 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 GLU N 1.0 -50.0 -32.0 PSI 36 36 A 18 THR C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -68.3 -48.9 PHI 37 37 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 GLU N 1.0 -51.6 -29.8 PSI 38 38 A 19 GLU C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -69.6 -56.6 PHI 39 39 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 LEU N 1.0 -48.3 -28.7 PSI 40 40 A 20 GLU C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -77.2 -58.8 PHI 41 41 A 22 LEU N A 22 LEU CA A 22 LEU C A 23 LYS N 1.0 -49.1 -31.7 PSI 42 42 A 21 GLU C A 22 LEU N A 22 LEU CA A 22 LEU C 1.0 -73.6 -51.8 PHI 43 43 A 23 LYS N A 23 LYS CA A 23 LYS C A 24 ARG N 1.0 -49.9 -29.5 PSI 44 44 A 22 LEU C A 23 LYS N A 23 LYS CA A 23 LYS C 1.0 -77.7 -49.3 PHI 45 45 A 24 ARG N A 24 ARG CA A 24 ARG C A 25 PHE N 1.0 -51.8 -34.6 PSI 46 46 A 23 LYS C A 24 ARG N A 24 ARG CA A 24 ARG C 1.0 -73.3 -56.9 PHI 47 47 A 25 PHE N A 25 PHE CA A 25 PHE C A 26 LYS N 1.0 -56.5 -34.3 PSI 48 48 A 24 ARG C A 25 PHE N A 25 PHE CA A 25 PHE C 1.0 -72.0 -54.6 PHI 49 49 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 TYR N 1.0 -51.8 -24.8 PSI 50 50 A 25 PHE C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -70.3 -52.5 PHI 51 51 A 27 TYR N A 27 TYR CA A 27 TYR C A 28 PHE N 1.0 -58.9 -24.7 PSI 52 52 A 26 LYS C A 27 TYR N A 27 TYR CA A 27 TYR C 1.0 -72.4 -50.2 PHI 53 53 A 28 PHE N A 28 PHE CA A 28 PHE C A 29 ALA N 1.0 -55.3 -27.3 PSI 54 54 A 27 TYR C A 28 PHE N A 28 PHE CA A 28 PHE C 1.0 -79.3 -57.1 PHI 55 55 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 LEU N 1.0 -51.0 -32.4 PSI 56 56 A 28 PHE C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -71.5 -52.5 PHI 57 57 A 30 LEU N A 30 LEU CA A 30 LEU C A 31 THR N 1.0 92.0 152.8 PSI 58 58 A 29 ALA C A 30 LEU N A 30 LEU CA A 30 LEU C 1.0 -96.6 -64.8 PHI 59 59 A 31 THR N A 31 THR CA A 31 THR C A 32 GLU N 1.0 -48.8 3.2 PSI 60 60 A 30 LEU C A 31 THR N A 31 THR CA A 31 THR C 1.0 -89.8 -43.6 PHI 61 61 A 32 GLU N A 32 GLU CA A 32 GLU C A 33 PHE N 1.0 -71.3 11.5 PSI 62 62 A 31 THR C A 32 GLU N A 32 GLU CA A 32 GLU C 1.0 -94.9 -50.9 PHI 63 63 A 33 PHE N A 33 PHE CA A 33 PHE C A 34 GLN N 1.0 -22.8 14.6 PSI 64 64 A 32 GLU C A 33 PHE N A 33 PHE CA A 33 PHE C 1.0 -127.8 -78.2 PHI 65 65 A 34 GLN N A 34 GLN CA A 34 GLN C A 35 ILE N 1.0 5.7 67.5 PSI 66 66 A 33 PHE C A 34 GLN N A 34 GLN CA A 34 GLN C 1.0 42.5 75.9 PHI 67 67 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ALA N 1.0 87.6 217.0 PSI 68 68 A 34 GLN C A 35 ILE N A 35 ILE CA A 35 ILE C 1.0 -225.5 2.3 PHI 69 69 A 36 ALA N A 36 ALA CA A 36 ALA C A 37 ARG N 1.0 116.6 174.0 PSI 70 70 A 35 ILE C A 36 ALA N A 36 ALA CA A 36 ALA C 1.0 -116.2 -37.6 PHI 71 71 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 SER N 1.0 -62.4 -19.4 PSI 72 72 A 36 ALA C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -66.3 -46.1 PHI 73 73 A 38 SER N A 38 SER CA A 38 SER C A 39 THR N 1.0 -52.6 -29.0 PSI 74 74 A 37 ARG C A 38 SER N A 38 SER CA A 38 SER C 1.0 -72.8 -51.4 PHI 75 75 A 39 THR N A 39 THR CA A 39 THR C A 40 LEU N 1.0 -59.6 -18.8 PSI 76 76 A 38 SER C A 39 THR N A 39 THR CA A 39 THR C 1.0 -77.0 -56.4 PHI 77 77 A 40 LEU N A 40 LEU CA A 40 LEU C A 41 ASP N 1.0 -58.5 -2.9 PSI 78 78 A 39 THR C A 40 LEU N A 40 LEU CA A 40 LEU C 1.0 -102.0 -40.6 PHI 79 79 A 41 ASP N A 41 ASP CA A 41 ASP C A 42 VAL N 1.0 -65.5 -3.7 PSI 80 80 A 40 LEU C A 41 ASP N A 41 ASP CA A 41 ASP C 1.0 -86.6 -41.8 PHI 81 81 A 42 VAL N A 42 VAL CA A 42 VAL C A 43 ALA N 1.0 -39.8 13.8 PSI 82 82 A 41 ASP C A 42 VAL N A 42 VAL CA A 42 VAL C 1.0 -143.5 -48.5 PHI 83 83 A 43 ALA N A 43 ALA CA A 43 ALA C A 44 ASP N 1.0 -61.7 -31.1 PSI 84 84 A 42 VAL C A 43 ALA N A 43 ALA CA A 43 ALA C 1.0 -136.7 -19.1 PHI 85 85 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 ARG N 1.0 -48.1 -36.1 PSI 86 86 A 43 ALA C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -70.5 -59.3 PHI 87 87 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 THR N 1.0 -54.1 -33.7 PSI 88 88 A 44 ASP C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -70.7 -57.3 PHI 89 89 A 46 THR N A 46 THR CA A 46 THR C A 47 GLU N 1.0 -53.5 -30.5 PSI 90 90 A 45 ARG C A 46 THR N A 46 THR CA A 46 THR C 1.0 -74.3 -54.1 PHI 91 91 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 LEU N 1.0 -56.5 -30.3 PSI 92 92 A 46 THR C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -69.1 -53.1 PHI 93 93 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 ALA N 1.0 -55.2 -33.8 PSI 94 94 A 47 GLU C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -72.3 -53.7 PHI 95 95 A 49 ALA N A 49 ALA CA A 49 ALA C A 50 ASP N 1.0 -53.9 -35.5 PSI 96 96 A 48 LEU C A 49 ALA N A 49 ALA CA A 49 ALA C 1.0 -65.7 -52.9 PHI 97 97 A 50 ASP N A 50 ASP CA A 50 ASP C A 51 HIS N 1.0 -54.3 -34.7 PSI 98 98 A 49 ALA C A 50 ASP N A 50 ASP CA A 50 ASP C 1.0 -66.9 -52.3 PHI 99 99 A 51 HIS N A 51 HIS CA A 51 HIS C A 52 LEU N 1.0 -57.5 -29.9 PSI 100 100 A 50 ASP C A 51 HIS N A 51 HIS CA A 51 HIS C 1.0 -73.7 -56.3 PHI 101 101 A 52 LEU N A 52 LEU CA A 52 LEU C A 53 ILE N 1.0 -56.6 -33.2 PSI 102 102 A 51 HIS C A 52 LEU N A 52 LEU CA A 52 LEU C 1.0 -69.4 -50.8 PHI 103 103 A 53 ILE N A 53 ILE CA A 53 ILE C A 54 GLN N 1.0 -55.2 -27.4 PSI 104 104 A 52 LEU C A 53 ILE N A 53 ILE CA A 53 ILE C 1.0 -70.1 -52.9 PHI 105 105 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 SER N 1.0 -55.1 -27.9 PSI 106 106 A 53 ILE C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -75.0 -45.2 PHI 107 107 A 55 SER N A 55 SER CA A 55 SER C A 56 ALA N 1.0 -56.8 -12.8 PSI 108 108 A 54 GLN C A 55 SER N A 55 SER CA A 55 SER C 1.0 -99.8 -56.6 PHI 109 109 A 56 ALA N A 56 ALA CA A 56 ALA C A 57 GLY N 1.0 -34.7 3.3 PSI 110 110 A 55 SER C A 56 ALA N A 56 ALA CA A 56 ALA C 1.0 -122.8 -67.4 PHI 111 111 A 57 GLY N A 57 GLY CA A 57 GLY C A 58 ALA N 1.0 29.6 192.6 PSI 112 112 A 56 ALA C A 57 GLY N A 57 GLY CA A 57 GLY C 1.0 -246.2 35.0 PHI 113 113 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 ALA N 1.0 -68.6 -26.2 PSI 114 114 A 57 GLY C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -71.0 -35.8 PHI 115 115 A 59 ALA N A 59 ALA CA A 59 ALA C A 60 SER N 1.0 -60.8 -33.2 PSI 116 116 A 58 ALA C A 59 ALA N A 59 ALA CA A 59 ALA C 1.0 -67.1 -44.1 PHI 117 117 A 60 SER N A 60 SER CA A 60 SER C A 61 ALA N 1.0 -55.9 -33.9 PSI 118 118 A 59 ALA C A 60 SER N A 60 SER CA A 60 SER C 1.0 -75.8 -55.4 PHI 119 119 A 61 ALA N A 61 ALA CA A 61 ALA C A 62 VAL N 1.0 -55.9 -31.3 PSI 120 120 A 60 SER C A 61 ALA N A 61 ALA CA A 61 ALA C 1.0 -71.3 -53.9 PHI 121 121 A 62 VAL N A 62 VAL CA A 62 VAL C A 63 THR N 1.0 -49.5 -31.1 PSI 122 122 A 61 ALA C A 62 VAL N A 62 VAL CA A 62 VAL C 1.0 -70.6 -58.2 PHI 123 123 A 63 THR N A 63 THR CA A 63 THR C A 64 LYS N 1.0 -56.2 -28.2 PSI 124 124 A 62 VAL C A 63 THR N A 63 THR CA A 63 THR C 1.0 -85.0 -49.4 PHI 125 125 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 ALA N 1.0 -59.6 -23.2 PSI 126 126 A 63 THR C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -71.2 -53.2 PHI 127 127 A 65 ALA N A 65 ALA CA A 65 ALA C A 66 ILE N 1.0 -56.3 -31.9 PSI 128 128 A 64 LYS C A 65 ALA N A 65 ALA CA A 65 ALA C 1.0 -69.6 -54.0 PHI 129 129 A 66 ILE N A 66 ILE CA A 66 ILE C A 67 ASN N 1.0 -50.5 -34.1 PSI 130 130 A 65 ALA C A 66 ILE N A 66 ILE CA A 66 ILE C 1.0 -73.7 -51.7 PHI 131 131 A 67 ASN N A 67 ASN CA A 67 ASN C A 68 ILE N 1.0 -54.2 -27.0 PSI 132 132 A 66 ILE C A 67 ASN N A 67 ASN CA A 67 ASN C 1.0 -72.4 -52.8 PHI 133 133 A 68 ILE N A 68 ILE CA A 68 ILE C A 69 PHE N 1.0 -51.6 -34.4 PSI 134 134 A 67 ASN C A 68 ILE N A 68 ILE CA A 68 ILE C 1.0 -75.2 -52.2 PHI 135 135 A 69 PHE N A 69 PHE CA A 69 PHE C A 70 GLN N 1.0 -55.7 -28.1 PSI 136 136 A 68 ILE C A 69 PHE N A 69 PHE CA A 69 PHE C 1.0 -71.2 -50.4 PHI 137 137 A 70 GLN N A 70 GLN CA A 70 GLN C A 71 LYS N 1.0 -62.4 -10.2 PSI 138 138 A 69 PHE C A 70 GLN N A 70 GLN CA A 70 GLN C 1.0 -81.0 -50.6 PHI 139 139 A 71 LYS N A 71 LYS CA A 71 LYS C A 72 LEU N 1.0 -43.6 -10.0 PSI 140 140 A 70 GLN C A 71 LYS N A 71 LYS CA A 71 LYS C 1.0 -76.2 -53.4 PHI 141 141 A 72 LEU N A 72 LEU CA A 72 LEU C A 73 ASN N 1.0 -33.4 35.2 PSI 142 142 A 71 LYS C A 72 LEU N A 72 LEU CA A 72 LEU C 1.0 -112.6 -66.2 PHI 143 143 A 73 ASN N A 73 ASN CA A 73 ASN C A 74 TYR N 1.0 -49.2 39.2 PSI 144 144 A 72 LEU C A 73 ASN N A 73 ASN CA A 73 ASN C 1.0 -119.4 -60.4 PHI 145 145 A 74 TYR N A 74 TYR CA A 74 TYR C A 75 MET N 1.0 -91.4 57.4 PSI 146 146 A 73 ASN C A 74 TYR N A 74 TYR CA A 74 TYR C 1.0 -137.0 -25.6 PHI 147 147 A 75 MET N A 75 MET CA A 75 MET C A 76 HIS N 1.0 -65.5 -7.9 PSI 148 148 A 74 TYR C A 75 MET N A 75 MET CA A 75 MET C 1.0 -69.7 -53.1 PHI 149 149 A 76 HIS N A 76 HIS CA A 76 HIS C A 77 ILE N 1.0 -51.1 -21.9 PSI 150 150 A 75 MET C A 76 HIS N A 76 HIS CA A 76 HIS C 1.0 -80.2 -55.0 PHI 151 151 A 77 ILE N A 77 ILE CA A 77 ILE C A 78 ALA N 1.0 -49.7 -31.7 PSI 152 152 A 76 HIS C A 77 ILE N A 77 ILE CA A 77 ILE C 1.0 -71.0 -61.2 PHI 153 153 A 78 ALA N A 78 ALA CA A 78 ALA C A 79 ASN N 1.0 -51.4 -31.4 PSI 154 154 A 77 ILE C A 78 ALA N A 78 ALA CA A 78 ALA C 1.0 -71.2 -54.0 PHI 155 155 A 79 ASN N A 79 ASN CA A 79 ASN C A 80 ALA N 1.0 -53.1 -32.7 PSI 156 156 A 78 ALA C A 79 ASN N A 79 ASN CA A 79 ASN C 1.0 -71.0 -53.0 PHI 157 157 A 80 ALA N A 80 ALA CA A 80 ALA C A 81 LEU N 1.0 -50.1 -32.7 PSI 158 158 A 79 ASN C A 80 ALA N A 80 ALA CA A 80 ALA C 1.0 -71.5 -59.5 PHI 159 159 A 81 LEU N A 81 LEU CA A 81 LEU C A 82 GLU N 1.0 -47.6 -35.0 PSI 160 160 A 80 ALA C A 81 LEU N A 81 LEU CA A 81 LEU C 1.0 -71.9 -55.3 PHI 161 161 A 82 GLU N A 82 GLU CA A 82 GLU C A 83 GLU N 1.0 -54.1 -26.3 PSI 162 162 A 81 LEU C A 82 GLU N A 82 GLU CA A 82 GLU C 1.0 -69.5 -52.3 PHI 163 163 A 83 GLU N A 83 GLU CA A 83 GLU C A 84 LYS N 1.0 -54.5 -33.3 PSI 164 164 A 82 GLU C A 83 GLU N A 83 GLU CA A 83 GLU C 1.0 -75.7 -54.7 PHI 165 165 A 84 LYS N A 84 LYS CA A 84 LYS C A 85 LYS N 1.0 -56.5 -30.3 PSI 166 166 A 83 GLU C A 84 LYS N A 84 LYS CA A 84 LYS C 1.0 -75.3 -52.3 PHI 167 167 A 85 LYS N A 85 LYS CA A 85 LYS C A 86 LYS N 1.0 -52.3 -35.3 PSI 168 168 A 84 LYS C A 85 LYS N A 85 LYS CA A 85 LYS C 1.0 -76.0 -52.4 PHI 169 169 A 86 LYS N A 86 LYS CA A 86 LYS C A 87 GLU N 1.0 -61.2 -23.6 PSI 170 170 A 85 LYS C A 86 LYS N A 86 LYS CA A 86 LYS C 1.0 -78.5 -48.3 PHI 171 171 A 87 GLU N A 87 GLU CA A 87 GLU C A 88 ALA N 1.0 -57.4 -29.4 PSI 172 172 A 86 LYS C A 87 GLU N A 87 GLU CA A 87 GLU C 1.0 -77.0 -52.6 PHI 173 173 A 88 ALA N A 88 ALA CA A 88 ALA C A 89 GLU N 1.0 -55.8 -29.2 PSI 174 174 A 87 GLU C A 88 ALA N A 88 ALA CA A 88 ALA C 1.0 -73.1 -52.1 PHI 175 175 A 89 GLU N A 89 GLU CA A 89 GLU C A 90 ARG N 1.0 -55.2 -29.8 PSI 176 176 A 88 ALA C A 89 GLU N A 89 GLU CA A 89 GLU C 1.0 -75.3 -51.7 PHI 177 177 A 90 ARG N A 90 ARG CA A 90 ARG C A 91 LYS N 1.0 -60.3 -13.1 PSI 178 178 A 89 GLU C A 90 ARG N A 90 ARG CA A 90 ARG C 1.0 -73.6 -52.4 PHI 179 179 A 91 LYS N A 91 LYS CA A 91 LYS C A 92 LEU N 1.0 -56.3 -7.1 PSI 180 180 A 90 ARG C A 91 LYS N A 91 LYS CA A 91 LYS C 1.0 -83.7 -48.5 PHI 181 181 A 92 LEU N A 92 LEU CA A 92 LEU C A 93 MET N 1.0 -58.3 11.1 PSI 182 182 A 91 LYS C A 92 LEU N A 92 LEU CA A 92 LEU C 1.0 -116.5 -46.7 PHI 183 183 A 93 MET N A 93 MET CA A 93 MET C A 94 THR N 1.0 -42.4 41.8 PSI 184 184 A 92 LEU C A 93 MET N A 93 MET CA A 93 MET C 1.0 -125.9 -75.1 PHI 185 185 A 94 THR N A 94 THR CA A 94 THR C A 95 ASN N 1.0 43.4 190.0 PSI 186 186 A 93 MET C A 94 THR N A 94 THR CA A 94 THR C 1.0 -177.6 -28.6 PHI stop_ save_