data_nef_c19989_2mpm 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 1EOT PDB 2EOT PDB 2MPM stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 9 CYS SG 1 34 CYS SG 1 10 CYS SG 1 50 CYS SG 2 8 SER C 2 9 TYS N 2 9 TYS C 2 10 TYS N 2 10 TYS C 2 11 ASP N stop_ 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 GLY start . false 2 A 2 PRO middle . false 3 A 3 ALA middle . . 4 A 4 SER middle . . 5 A 5 VAL middle . . 6 A 6 PRO middle . false 7 A 7 THR middle . . 8 A 8 THR middle . . 9 A 9 CYS middle -HG . 10 A 10 CYS middle -HG . 11 A 11 PHE middle . . 12 A 12 ASN middle . . 13 A 13 LEU middle . . 14 A 14 ALA middle . . 15 A 15 ASN middle . . 16 A 16 ARG middle . . 17 A 17 LYS middle . . 18 A 18 ILE middle . . 19 A 19 PRO middle . false 20 A 20 LEU middle . . 21 A 21 GLN middle . . 22 A 22 ARG middle . . 23 A 23 LEU middle . . 24 A 24 GLU middle . . 25 A 25 SER middle . . 26 A 26 TYR middle . . 27 A 27 ARG middle . . 28 A 28 ARG middle . . 29 A 29 ILE middle . . 30 A 30 THR middle . . 31 A 31 SER middle . . 32 A 32 GLY middle . false 33 A 33 LYS middle . . 34 A 34 CYS middle -HG . 35 A 35 PRO middle . false 36 A 36 GLN middle . . 37 A 37 LYS middle . . 38 A 38 ALA middle . . 39 A 39 VAL middle . . 40 A 40 ILE middle . . 41 A 41 PHE middle . . 42 A 42 LYS middle . . 43 A 43 THR middle . . 44 A 44 LYS middle . . 45 A 45 LEU middle . . 46 A 46 ALA middle . . 47 A 47 LYS middle . . 48 A 48 ASP middle . . 49 A 49 ILE middle . . 50 A 50 CYS middle -HG . 51 A 51 ALA middle . . 52 A 52 ASP middle . . 53 A 53 PRO middle . false 54 A 54 LYS middle . . 55 A 55 LYS middle . . 56 A 56 LYS middle . . 57 A 57 TRP middle . . 58 A 58 VAL middle . . 59 A 59 GLN middle . . 60 A 60 ASP middle . . 61 A 61 SER middle . . 62 A 62 MET middle . . 63 A 63 LYS middle . . 64 A 64 TYR middle . . 65 A 65 LEU middle . . 66 A 66 ASP middle . . 67 A 67 GLN middle . . 68 A 68 LYS middle . . 69 A 69 SER middle . . 70 A 70 PRO middle . false 71 A 71 THR middle . . 72 A 72 PRO middle . false 73 A 73 LYS middle . . 74 A 74 PRO end . false 75 B 208 VAL start . . 76 B 209 GLU middle . . 77 B 210 THR middle . . 78 B 211 PHE middle . . 79 B 212 GLY middle . false 80 B 213 THR middle . . 81 B 214 THR middle . . 82 B 215 SER middle . . 83 B 216 TYS middle . . 84 B 217 TYS middle . . 85 B 218 ASP middle . . 86 B 219 ASP middle . . 87 B 220 VAL middle . . 88 B 221 GLY middle . false 89 B 222 LEU middle . . 90 B 223 LEU end . . stop_ save_ save_Chemical_Shifts _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Chemical_Shifts 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 GLY HAx H 1 3.949 0.005 A 1 GLY HAy H 1 3.949 0.005 A 1 GLY CA C 13 43.492 0.127 A 2 PRO HA H 1 4.469 0.01 A 2 PRO HBx H 1 1.921 0.005 A 2 PRO HBy H 1 2.278 0.006 A 2 PRO HDx H 1 3.767 0.007 A 2 PRO HDy H 1 3.767 0.007 A 2 PRO HGx H 1 2.007 0.006 A 2 PRO HGy H 1 2.007 0.006 A 2 PRO CA C 13 63.292 0.1 A 2 PRO CB C 13 32.371 0.025 A 2 PRO CD C 13 51.101 0.022 A 2 PRO CG C 13 27.557 0.024 A 2 PRO N N 15 134.478 0.03 A 3 ALA HA H 1 4.367 0.004 A 3 ALA HB% H 1 1.4 0.012 A 3 ALA CA C 13 52.532 0.124 A 3 ALA CB C 13 19.384 0.038 A 3 ALA N N 15 124.06 0.046 A 4 SER HA H 1 4.465 0.001 A 4 SER HBx H 1 3.842 0 A 4 SER HBy H 1 3.842 0 A 4 SER CA C 13 58.115 0.021 A 4 SER CB C 13 63.932 0.085 A 4 SER N N 15 115.075 0.016 A 5 VAL HA H 1 4.472 0.002 A 5 VAL HB H 1 2.087 0.001 A 5 VAL HGx% H 1 0.981 0 A 5 VAL HGy% H 1 0.981 0 A 5 VAL CA C 13 59.918 0.035 A 5 VAL CB C 13 32.948 0.103 A 5 VAL CGx C 13 21.04 0.093 A 5 VAL N N 15 122.575 0.022 A 6 PRO HA H 1 4.498 0.003 A 6 PRO CA C 13 63.349 0.003 A 6 PRO N N 15 139.629 0.04 A 11 PHE HA H 1 4.529 0.001 A 11 PHE HBy H 1 3.227 0.004 A 11 PHE HBx H 1 2.899 0.002 A 11 PHE HDx H 1 7.271 0.017 A 11 PHE HDy H 1 7.271 0.017 A 11 PHE HEx H 1 7.338 0.009 A 11 PHE HEy H 1 7.338 0.009 A 11 PHE CA C 13 58.651 0 A 11 PHE CB C 13 40.025 0.035 A 12 ASN HA H 1 4.839 0.011 A 12 ASN HBy H 1 2.739 0.018 A 12 ASN HBx H 1 2.56 0.024 A 12 ASN CA C 13 52.546 0.039 A 12 ASN CB C 13 41.659 0.062 A 12 ASN N N 15 114.142 0 A 13 LEU HA H 1 4.409 0.004 A 13 LEU HBy H 1 1.772 0.004 A 13 LEU HBx H 1 1.398 0.007 A 13 LEU HDx% H 1 0.823 0.004 A 13 LEU HDy% H 1 0.65 0.002 A 13 LEU HG H 1 1.516 0.006 A 13 LEU CA C 13 54.193 0.258 A 13 LEU CB C 13 43.034 0.153 A 13 LEU CDy C 13 25.595 0.121 A 13 LEU CDx C 13 23.952 0.026 A 13 LEU CG C 13 27.135 0.105 A 13 LEU N N 15 121.265 0.018 A 14 ALA H H 1 8.801 0.003 A 14 ALA HA H 1 4.354 0.01 A 14 ALA HB% H 1 1.623 0.001 A 14 ALA CA C 13 53.126 0.195 A 14 ALA CB C 13 19.295 0.077 A 14 ALA N N 15 125.366 0.117 A 15 ASN HA H 1 5.002 0.008 A 15 ASN HBx H 1 2.908 0.005 A 15 ASN HBy H 1 2.908 0.005 A 15 ASN HD2y H 1 7.541 0 A 15 ASN HD2x H 1 6.901 0 A 15 ASN CA C 13 53.62 0.092 A 15 ASN CB C 13 39.984 0.052 A 15 ASN N N 15 120.002 0.097 A 15 ASN ND2 N 15 112.941 0.01 A 16 ARG H H 1 7.702 0.003 A 16 ARG HA H 1 4.242 0.007 A 16 ARG HBy H 1 1.631 0.004 A 16 ARG HBx H 1 1.557 0.007 A 16 ARG HDy H 1 3.017 0.004 A 16 ARG HDx H 1 2.801 0.003 A 16 ARG HGy H 1 1.486 0.012 A 16 ARG HGx H 1 1.376 0.005 A 16 ARG CA C 13 55.011 0.057 A 16 ARG CB C 13 32.211 0.073 A 16 ARG CD C 13 43.62 0 A 16 ARG CG C 13 26.588 0.46 A 16 ARG N N 15 120.137 0.028 A 17 LYS H H 1 7.395 0.002 A 17 LYS HA H 1 1.457 0.002 A 17 LYS HBy H 1 0.811 0.003 A 17 LYS HBx H 1 0.701 0.004 A 17 LYS HDy H 1 1.337 0.002 A 17 LYS HDx H 1 1.268 0.001 A 17 LYS HEy H 1 2.736 0.003 A 17 LYS HEx H 1 2.628 0.002 A 17 LYS HGy H 1 0.626 0.002 A 17 LYS HGx H 1 0.393 0.001 A 17 LYS CA C 13 55.899 0.057 A 17 LYS CB C 13 32.835 0.158 A 17 LYS CD C 13 29.573 0.016 A 17 LYS CE C 13 41.842 0.014 A 17 LYS CG C 13 24.147 0.085 A 17 LYS N N 15 119.879 0.171 A 18 ILE H H 1 5.286 0.006 A 18 ILE HA H 1 4.102 0.003 A 18 ILE HB H 1 1.294 0.001 A 18 ILE HD1% H 1 0.709 0.01 A 18 ILE HG1y H 1 1.433 0.011 A 18 ILE HG1x H 1 0.787 0.004 A 18 ILE HG2% H 1 0.699 0.017 A 18 ILE CA C 13 57.292 0.034 A 18 ILE CB C 13 40.746 0.015 A 18 ILE CD1 C 13 13.84 0.206 A 18 ILE CG1 C 13 27.027 0.032 A 18 ILE CG2 C 13 16.842 0.066 A 18 ILE N N 15 124.806 0.148 A 19 PRO HA H 1 4.109 0.005 A 19 PRO HBy H 1 2.291 0.007 A 19 PRO HBx H 1 1.627 0.004 A 19 PRO HDy H 1 3.732 0.004 A 19 PRO HDx H 1 3.24 0.006 A 19 PRO HGy H 1 1.893 0.003 A 19 PRO HGx H 1 1.82 0.006 A 19 PRO CA C 13 63.25 0.063 A 19 PRO CB C 13 32.322 0.072 A 19 PRO CD C 13 51.371 0.105 A 19 PRO CG C 13 27.951 0.191 A 19 PRO N N 15 139.109 0.038 A 20 LEU H H 1 8.015 0.001 A 20 LEU HA H 1 3.646 0.003 A 20 LEU HBy H 1 1.353 0.006 A 20 LEU HBx H 1 0.862 0.003 A 20 LEU HDx% H 1 0.541 0.006 A 20 LEU HDy% H 1 0.48 0.009 A 20 LEU HG H 1 1.462 0.003 A 20 LEU CA C 13 58.242 0.057 A 20 LEU CB C 13 41.696 0.104 A 20 LEU CDy C 13 24.168 0.208 A 20 LEU CDx C 13 23.747 0.237 A 20 LEU CG C 13 26.69 0 A 20 LEU N N 15 124.304 0.065 A 21 GLN H H 1 8.594 0.001 A 21 GLN HA H 1 4.179 0.005 A 21 GLN HBy H 1 2.114 0.002 A 21 GLN HBx H 1 2.045 0.005 A 21 GLN HE2y H 1 7.341 0 A 21 GLN HE2x H 1 6.798 0.037 A 21 GLN HGx H 1 2.404 0.002 A 21 GLN HGy H 1 2.404 0.002 A 21 GLN CA C 13 58.062 0.02 A 21 GLN CB C 13 27.706 0.023 A 21 GLN CG C 13 34.002 0.048 A 21 GLN N N 15 113.324 0.085 A 21 GLN NE2 N 15 110.978 0.326 A 22 ARG H H 1 7.843 0.002 A 22 ARG HA H 1 4.34 0.006 A 22 ARG HBy H 1 2.192 0.009 A 22 ARG HBx H 1 1.715 0.004 A 22 ARG HDy H 1 3.154 0.005 A 22 ARG HDx H 1 3.025 0.004 A 22 ARG HGx H 1 1.589 0.003 A 22 ARG HGy H 1 1.589 0.003 A 22 ARG CA C 13 55.518 0.105 A 22 ARG CB C 13 30.378 0.043 A 22 ARG CD C 13 42.987 0.103 A 22 ARG CG C 13 27.323 0.069 A 22 ARG N N 15 115.277 0.048 A 23 LEU H H 1 7.645 0.002 A 23 LEU HA H 1 4.353 0.004 A 23 LEU HBy H 1 2.237 0.004 A 23 LEU HBx H 1 1.346 0.003 A 23 LEU HDx% H 1 0.628 0.002 A 23 LEU HDy% H 1 0.516 0.002 A 23 LEU HG H 1 1.71 0.005 A 23 LEU CA C 13 55.567 0.073 A 23 LEU CB C 13 44.537 0.039 A 23 LEU CDx C 13 23.65 0 A 23 LEU CDy C 13 25.817 0.004 A 23 LEU CG C 13 25.707 0.006 A 23 LEU N N 15 119.2 0.016 A 24 GLU H H 1 9.173 0.006 A 24 GLU HA H 1 4.657 0.004 A 24 GLU HBy H 1 1.898 0.006 A 24 GLU HBx H 1 1.668 0.002 A 24 GLU HGx H 1 2.149 0.002 A 24 GLU HGy H 1 2.149 0.002 A 24 GLU CA C 13 57.712 0.151 A 24 GLU CB C 13 33.147 0.08 A 24 GLU CG C 13 36.47 0 A 24 GLU N N 15 120.73 0.075 A 25 SER H H 1 8.156 0.004 A 25 SER HA H 1 4.773 0.003 A 25 SER HBx H 1 3.966 0.001 A 25 SER HBy H 1 4.071 0.002 A 25 SER CA C 13 58.339 0.044 A 25 SER CB C 13 64.465 0.066 A 25 SER N N 15 109.289 0.067 A 26 TYR H H 1 8.574 0.003 A 26 TYR HA H 1 5.746 0.002 A 26 TYR HBx H 1 2.319 0.002 A 26 TYR HBy H 1 2.841 0.001 A 26 TYR HDx H 1 6.731 0.011 A 26 TYR HDy H 1 6.731 0.011 A 26 TYR HEx H 1 6.819 0 A 26 TYR HEy H 1 6.819 0 A 26 TYR CA C 13 56.771 0.082 A 26 TYR CB C 13 42.593 0.117 A 26 TYR N N 15 115.677 0.056 A 27 ARG H H 1 8.666 0.002 A 27 ARG HA H 1 4.521 0.011 A 27 ARG HBx H 1 1.732 0.005 A 27 ARG HBy H 1 1.732 0.005 A 27 ARG HDx H 1 3.111 0.003 A 27 ARG HDy H 1 3.111 0.003 A 27 ARG HGy H 1 1.645 0.004 A 27 ARG HGx H 1 1.422 0.006 A 27 ARG CA C 13 54.427 0.087 A 27 ARG CB C 13 33.458 0.051 A 27 ARG CD C 13 43.77 0 A 27 ARG CG C 13 26.54 0 A 27 ARG N N 15 117.676 0.053 A 28 ARG H H 1 8.845 0.003 A 28 ARG HA H 1 4.718 0.006 A 28 ARG HBy H 1 1.828 0.005 A 28 ARG HBx H 1 1.708 0.003 A 28 ARG HDx H 1 3.207 0.004 A 28 ARG HDy H 1 3.207 0.004 A 28 ARG HGy H 1 1.79 0.006 A 28 ARG HGx H 1 1.543 0.002 A 28 ARG CA C 13 56.041 0.1 A 28 ARG CB C 13 31.867 0.034 A 28 ARG CD C 13 43.65 0 A 28 ARG CG C 13 28.67 0 A 28 ARG N N 15 121.136 0.092 A 29 ILE H H 1 8.345 0.003 A 29 ILE HA H 1 4.351 0.003 A 29 ILE HB H 1 1.936 0.003 A 29 ILE HD1% H 1 0.859 0.001 A 29 ILE HG1y H 1 1.424 0.002 A 29 ILE HG1x H 1 1.212 0.005 A 29 ILE HG2% H 1 1.024 0.005 A 29 ILE CA C 13 60.628 0.035 A 29 ILE CB C 13 38.377 0.085 A 29 ILE CD1 C 13 13.096 0.013 A 29 ILE CG1 C 13 27.401 0.007 A 29 ILE CG2 C 13 18.306 0.002 A 29 ILE N N 15 122.817 0.111 A 30 THR HA H 1 4.471 0.005 A 30 THR HB H 1 4.345 0.004 A 30 THR HG2% H 1 1.118 0.003 A 30 THR CA C 13 61.32 0.231 A 30 THR CB C 13 70.259 0.166 A 30 THR CG2 C 13 21.551 0.11 A 30 THR N N 15 117.029 0.024 A 31 SER HA H 1 4.481 0.007 A 31 SER CA C 13 58.398 0.086 A 31 SER CB C 13 63.974 0 A 31 SER N N 15 116.826 0.01 A 32 GLY HAx H 1 3.98 0.003 A 32 GLY HAy H 1 3.98 0.003 A 32 GLY CA C 13 45.477 0.042 A 32 GLY N N 15 110.589 0.033 A 33 LYS N N 15 119.924 0.021 A 34 CYS H H 1 7.494 0 A 34 CYS HA H 1 5.158 0.003 A 34 CYS HBy H 1 3.427 0.005 A 34 CYS HBx H 1 2.628 0.005 A 34 CYS CA C 13 51.057 0.107 A 34 CYS CB C 13 37.22 0.124 A 34 CYS N N 15 116.935 0.015 A 35 PRO HA H 1 4.36 0.004 A 35 PRO HBx H 1 2.361 0.004 A 35 PRO HBy H 1 2.361 0.004 A 35 PRO HDx H 1 3.566 0.003 A 35 PRO HDy H 1 3.566 0.003 A 35 PRO HGy H 1 2.074 0.042 A 35 PRO HGx H 1 2.008 0.01 A 35 PRO CA C 13 64.795 0.08 A 35 PRO CB C 13 31.994 0.009 A 35 PRO CD C 13 50.35 0 A 35 PRO CG C 13 27.147 0 A 35 PRO N N 15 134.735 0.002 A 36 GLN H H 1 7.123 0.003 A 36 GLN HA H 1 4.574 0.004 A 36 GLN HBy H 1 2.039 0.006 A 36 GLN HBx H 1 1.913 0.001 A 36 GLN HE2y H 1 7.254 0 A 36 GLN HE2x H 1 6.61 0.01 A 36 GLN HGx H 1 2.155 0.001 A 36 GLN HGy H 1 2.155 0.001 A 36 GLN CA C 13 54.242 0.043 A 36 GLN CB C 13 30.94 0.121 A 36 GLN CG C 13 33.12 0.054 A 36 GLN N N 15 112.417 0.088 A 36 GLN NE2 N 15 110.238 0.027 A 37 LYS HA H 1 4.25 0.007 A 37 LYS HBx H 1 1.807 0.008 A 37 LYS HBy H 1 1.807 0.008 A 37 LYS HDx H 1 1.653 0 A 37 LYS HDy H 1 1.653 0 A 37 LYS HEx H 1 2.966 0.004 A 37 LYS HEy H 1 2.966 0.004 A 37 LYS HGy H 1 1.421 0.001 A 37 LYS HGx H 1 1.417 0 A 37 LYS CA C 13 56.388 0.077 A 37 LYS CB C 13 31.857 0.077 A 37 LYS CD C 13 29.22 0 A 37 LYS CE C 13 42.38 0 A 37 LYS CG C 13 25.52 0 A 37 LYS N N 15 124.167 0.02 A 38 ALA H H 1 7.707 0.001 A 38 ALA HA H 1 4.729 0.002 A 38 ALA HB% H 1 1.343 0.003 A 38 ALA CA C 13 51.5 0.084 A 38 ALA CB C 13 23.16 0.087 A 38 ALA N N 15 121.687 0.077 A 39 VAL H H 1 8.402 0.003 A 39 VAL HA H 1 4.49 0.008 A 39 VAL HB H 1 1.409 0.002 A 39 VAL HGx% H 1 0.512 0.003 A 39 VAL HGy% H 1 0.235 0.002 A 39 VAL CA C 13 61.027 0.106 A 39 VAL CB C 13 35.01 0.146 A 39 VAL CGy C 13 21.446 0.09 A 39 VAL N N 15 118.743 0.038 A 40 ILE H H 1 8.778 0.001 A 40 ILE HA H 1 4.821 0.005 A 40 ILE HB H 1 1.556 0.003 A 40 ILE HD1% H 1 0.714 0.006 A 40 ILE HG1y H 1 1.448 0.008 A 40 ILE HG1x H 1 0.935 0.004 A 40 ILE HG2% H 1 0.754 0.007 A 40 ILE CA C 13 59.913 0.02 A 40 ILE CB C 13 40.08 0.05 A 40 ILE CD1 C 13 14.115 0.032 A 40 ILE CG1 C 13 28.026 0.045 A 40 ILE CG2 C 13 18.302 0.01 A 40 ILE N N 15 123.186 0.059 A 41 PHE H H 1 9.441 0.003 A 41 PHE HA H 1 5.229 0.005 A 41 PHE HBy H 1 3.022 0.003 A 41 PHE HBx H 1 2.88 0.003 A 41 PHE HDx H 1 7.215 0.017 A 41 PHE HDy H 1 7.215 0.017 A 41 PHE HEx H 1 6.779 0.008 A 41 PHE HEy H 1 6.779 0.008 A 41 PHE CA C 13 58.06 0.074 A 41 PHE CB C 13 41.769 0.109 A 41 PHE N N 15 126.82 0.044 A 42 LYS H H 1 8.881 0.003 A 42 LYS HA H 1 5.492 0.002 A 42 LYS HBx H 1 1.716 0.003 A 42 LYS HBy H 1 1.95 0.001 A 42 LYS HDx H 1 1.613 0.005 A 42 LYS HDy H 1 1.613 0.005 A 42 LYS HEx H 1 2.917 0.002 A 42 LYS HEy H 1 2.917 0.002 A 42 LYS HGy H 1 1.542 0.003 A 42 LYS HGx H 1 1.447 0.001 A 42 LYS CA C 13 54.754 0.043 A 42 LYS CB C 13 33.722 0.063 A 42 LYS CD C 13 28.87 0 A 42 LYS CE C 13 41.82 0 A 42 LYS CG C 13 24.35 0 A 42 LYS N N 15 123.088 0.035 A 43 THR H H 1 9.149 0.002 A 43 THR HA H 1 5.326 0.003 A 43 THR HB H 1 4.934 0.003 A 43 THR HG2% H 1 1.28 0.009 A 43 THR CA C 13 60.39 0.05 A 43 THR CB C 13 72.412 0.145 A 43 THR CG2 C 13 21.62 0.117 A 43 THR N N 15 116.776 0.054 A 44 LYS H H 1 8.729 0.001 A 44 LYS HA H 1 5.229 0 A 44 LYS HBy H 1 2.038 0 A 44 LYS HBx H 1 1.714 0 A 44 LYS HEy H 1 3.024 0.001 A 44 LYS HEx H 1 2.87 0.001 A 44 LYS CA C 13 58.519 0.002 A 44 LYS CB C 13 32.745 0 A 44 LYS CE C 13 41.603 0 A 44 LYS N N 15 119.85 0.038 A 45 LEU H H 1 7.741 0 A 45 LEU HA H 1 4.511 0.003 A 45 LEU HBy H 1 1.82 0.002 A 45 LEU HBx H 1 1.629 0.006 A 45 LEU HDx% H 1 0.942 0.004 A 45 LEU HDy% H 1 0.871 0.003 A 45 LEU HG H 1 1.621 0.006 A 45 LEU CA C 13 54.645 0.064 A 45 LEU CB C 13 40.727 0.032 A 45 LEU CDy C 13 25.063 0.154 A 45 LEU CDx C 13 23.266 0 A 45 LEU CG C 13 27.75 0.014 A 45 LEU N N 15 117.279 0 A 46 ALA H H 1 8.064 0.006 A 46 ALA HA H 1 3.896 0.003 A 46 ALA HB% H 1 1.474 0.003 A 46 ALA CA C 13 53.25 0.073 A 46 ALA CB C 13 16.362 0.118 A 46 ALA N N 15 118.639 0.128 A 47 LYS H H 1 7.228 0.005 A 47 LYS HA H 1 4.556 0.004 A 47 LYS HBx H 1 1.727 0.005 A 47 LYS HBy H 1 1.727 0.005 A 47 LYS HDx H 1 1.63 0.015 A 47 LYS HDy H 1 1.63 0.015 A 47 LYS HEx H 1 2.95 0.009 A 47 LYS HEy H 1 2.95 0.009 A 47 LYS HGx H 1 1.321 0.002 A 47 LYS HGy H 1 1.321 0.002 A 47 LYS CA C 13 55.063 0.027 A 47 LYS CB C 13 33.836 0.06 A 47 LYS CD C 13 28.799 0.155 A 47 LYS CE C 13 42.37 0 A 47 LYS CG C 13 24.93 0 A 47 LYS N N 15 117.5 0.12 A 48 ASP H H 1 8.257 0.001 A 48 ASP HA H 1 5.685 0.002 A 48 ASP HBx H 1 2.361 0.001 A 48 ASP HBy H 1 2.59 0.003 A 48 ASP CA C 13 53.547 0.139 A 48 ASP CB C 13 42.58 0.15 A 48 ASP N N 15 122.773 0.059 A 49 ILE H H 1 9.37 0.002 A 49 ILE HA H 1 4.543 0.018 A 49 ILE HB H 1 1.879 0.009 A 49 ILE HD1% H 1 0.672 0.004 A 49 ILE HG1y H 1 1.411 0.01 A 49 ILE HG1x H 1 1.193 0.009 A 49 ILE HG2% H 1 1.041 0.004 A 49 ILE CA C 13 59.999 0.044 A 49 ILE CB C 13 41.624 0.109 A 49 ILE CD1 C 13 12.98 0.089 A 49 ILE CG1 C 13 27.38 0 A 49 ILE CG2 C 13 17.604 0.182 A 49 ILE N N 15 122.97 0.116 A 50 CYS H H 1 8.837 0.002 A 50 CYS HA H 1 5.263 0.006 A 50 CYS HBy H 1 3.729 0.007 A 50 CYS HBx H 1 2.874 0.003 A 50 CYS CA C 13 57.733 0.125 A 50 CYS CB C 13 46.567 0.12 A 50 CYS N N 15 126.779 0.035 A 51 ALA H H 1 9.632 0.005 A 51 ALA HA H 1 4.86 0.004 A 51 ALA HB% H 1 1.363 0.002 A 51 ALA CA C 13 51.597 0.083 A 51 ALA CB C 13 24.402 0.147 A 51 ALA N N 15 125.049 0.075 A 52 ASP H H 1 8.591 0.001 A 52 ASP HA H 1 4.765 0.004 A 52 ASP HBy H 1 2.941 0.004 A 52 ASP HBx H 1 2.53 0.004 A 52 ASP CA C 13 51.173 0.16 A 52 ASP CB C 13 43.341 0.029 A 52 ASP N N 15 120.582 0.026 A 53 PRO HA H 1 4.051 0.002 A 53 PRO HBx H 1 1.938 0.008 A 53 PRO HBy H 1 1.938 0.008 A 53 PRO HDx H 1 4.063 0.047 A 53 PRO HDy H 1 4.063 0.047 A 53 PRO HGy H 1 1.827 0.003 A 53 PRO HGx H 1 1.779 0.024 A 53 PRO CA C 13 63.863 0.086 A 53 PRO CB C 13 31.872 0.06 A 53 PRO CD C 13 51.047 0.009 A 53 PRO CG C 13 26.68 0 A 53 PRO N N 15 134.852 0.067 A 54 LYS H H 1 8.291 0.005 A 54 LYS HA H 1 4.003 0.003 A 54 LYS HBx H 1 1.789 0.01 A 54 LYS HBy H 1 1.789 0.01 A 54 LYS HDx H 1 1.696 0.003 A 54 LYS HDy H 1 1.696 0.003 A 54 LYS HEx H 1 3.005 0.002 A 54 LYS HEy H 1 3.005 0.002 A 54 LYS HGx H 1 1.407 0.002 A 54 LYS HGy H 1 1.407 0.002 A 54 LYS CA C 13 57.619 0.044 A 54 LYS CB C 13 32.148 0.104 A 54 LYS CD C 13 29.02 0 A 54 LYS CE C 13 41.86 0 A 54 LYS CG C 13 25.27 0 A 54 LYS N N 15 117.362 0.141 A 55 LYS H H 1 7.537 0.002 A 55 LYS HA H 1 4.293 0.003 A 55 LYS HBx H 1 1.581 0.003 A 55 LYS HBy H 1 1.825 0.006 A 55 LYS HDx H 1 1.836 0 A 55 LYS HDy H 1 1.836 0 A 55 LYS HEy H 1 3.219 0.004 A 55 LYS HEx H 1 3.141 0.031 A 55 LYS HGy H 1 1.653 0.005 A 55 LYS HGx H 1 1.469 0.004 A 55 LYS CA C 13 54.859 0.081 A 55 LYS CB C 13 32.872 0.037 A 55 LYS CD C 13 28.607 0 A 55 LYS CE C 13 42.347 0 A 55 LYS CG C 13 26.081 0.012 A 55 LYS N N 15 118.404 0.02 A 56 LYS HA H 1 3.847 0.003 A 56 LYS HBx H 1 1.992 0.001 A 56 LYS HBy H 1 1.992 0.001 A 56 LYS HDy H 1 1.784 0.007 A 56 LYS HDx H 1 1.649 0.004 A 56 LYS HEx H 1 3.065 0.002 A 56 LYS HEy H 1 3.065 0.002 A 56 LYS HGx H 1 1.476 0.003 A 56 LYS HGy H 1 1.476 0.003 A 56 LYS CA C 13 59.874 0.098 A 56 LYS CB C 13 32.041 0.112 A 56 LYS CD C 13 28.99 0 A 56 LYS CE C 13 42.79 0 A 56 LYS CG C 13 25.11 0 A 56 LYS N N 15 126.391 0.064 A 57 TRP H H 1 8.503 0.001 A 57 TRP HA H 1 4.551 0.002 A 57 TRP HBy H 1 3.467 0.001 A 57 TRP HBx H 1 3.239 0.008 A 57 TRP HD1 H 1 7.608 0.008 A 57 TRP HE1 H 1 10.212 0 A 57 TRP HE3 H 1 7.287 0.001 A 57 TRP HZ3 H 1 7.104 0.005 A 57 TRP CA C 13 59.657 0.077 A 57 TRP CB C 13 26.948 0.101 A 57 TRP N N 15 114.734 0.1 A 57 TRP NE1 N 15 129.702 0 A 58 VAL H H 1 6.237 0.001 A 58 VAL HA H 1 2.928 0.003 A 58 VAL HB H 1 1.969 0.002 A 58 VAL HGx% H 1 0.504 0.003 A 58 VAL HGy% H 1 -0.586 0.002 A 58 VAL CA C 13 66.137 0.04 A 58 VAL CB C 13 31.103 0.101 A 58 VAL CGx C 13 21.29 0.057 A 58 VAL CGy C 13 21.535 0.173 A 58 VAL N N 15 126.381 0.041 A 59 GLN H H 1 7.454 0.012 A 59 GLN HA H 1 3.928 0.002 A 59 GLN HBx H 1 2.122 0.002 A 59 GLN HBy H 1 2.122 0.002 A 59 GLN HE2y H 1 7.403 0.001 A 59 GLN HE2x H 1 6.597 0 A 59 GLN HGy H 1 2.423 0.007 A 59 GLN HGx H 1 2.318 0.003 A 59 GLN CA C 13 59.258 0.085 A 59 GLN CB C 13 27.752 0.054 A 59 GLN CG C 13 33.439 0.076 A 59 GLN N N 15 120.418 0.136 A 59 GLN NE2 N 15 110.669 0.161 A 60 ASP H H 1 8.953 0.005 A 60 ASP HA H 1 4.374 0.003 A 60 ASP HBy H 1 2.682 0.006 A 60 ASP CA C 13 57.69 0.223 A 60 ASP CB C 13 40.054 0.102 A 60 ASP N N 15 120.017 0.031 A 61 SER H H 1 7.954 0.006 A 61 SER HA H 1 4.218 0.006 A 61 SER HBx H 1 3.48 0.001 A 61 SER HBy H 1 3.48 0.001 A 61 SER CA C 13 63.3 0.123 A 61 SER CB C 13 63.777 0.162 A 61 SER N N 15 118.424 0.021 A 62 MET H H 1 8.11 0.004 A 62 MET HA H 1 3.625 0.003 A 62 MET HBy H 1 2.015 0.004 A 62 MET HBx H 1 1.672 0.006 A 62 MET HE% H 1 1.788 0 A 62 MET HGy H 1 2.245 0.002 A 62 MET HGx H 1 0.514 0.003 A 62 MET CA C 13 60.422 0.021 A 62 MET CB C 13 34.113 0.062 A 62 MET CE C 13 16.234 0.113 A 62 MET CG C 13 30.652 0.028 A 62 MET N N 15 120.993 0.019 A 63 LYS H H 1 7.6 0.001 A 63 LYS HA H 1 4.083 0.001 A 63 LYS HBx H 1 1.936 0.002 A 63 LYS HBy H 1 1.936 0.002 A 63 LYS HDx H 1 1.74 0.002 A 63 LYS HDy H 1 1.74 0.002 A 63 LYS HEx H 1 2.985 0.011 A 63 LYS HEy H 1 2.985 0.011 A 63 LYS HGy H 1 1.612 0.003 A 63 LYS HGx H 1 1.476 0.003 A 63 LYS CA C 13 59.723 0.062 A 63 LYS CB C 13 32.271 0.03 A 63 LYS CD C 13 29.43 0 A 63 LYS CE C 13 42.38 0 A 63 LYS CG C 13 25.152 0.004 A 63 LYS N N 15 117.208 0.042 A 64 TYR H H 1 7.782 0.001 A 64 TYR HA H 1 4.262 0.002 A 64 TYR HBx H 1 3.218 0.002 A 64 TYR HBy H 1 3.218 0.002 A 64 TYR HDx H 1 7.096 0.01 A 64 TYR HDy H 1 7.096 0.01 A 64 TYR HEx H 1 6.835 0.004 A 64 TYR HEy H 1 6.835 0.004 A 64 TYR CA C 13 61.209 0.137 A 64 TYR CB C 13 38.64 0.032 A 64 TYR N N 15 118.896 0.034 A 65 LEU H H 1 8.103 0.001 A 65 LEU HA H 1 3.989 0.003 A 65 LEU HBy H 1 2.276 0.005 A 65 LEU HBx H 1 1.743 0.005 A 65 LEU HDx% H 1 1.163 0.003 A 65 LEU HDy% H 1 0.889 0.006 A 65 LEU HG H 1 2.215 0.004 A 65 LEU CA C 13 57.597 0.052 A 65 LEU CB C 13 41.858 0.045 A 65 LEU CDy C 13 27.213 0.036 A 65 LEU CDx C 13 21.969 0 A 65 LEU CG C 13 27.22 0 A 65 LEU N N 15 119.92 0.016 A 66 ASP H H 1 8.736 0 A 66 ASP HA H 1 4.545 0.001 A 66 ASP HBy H 1 2.748 0.001 A 66 ASP CA C 13 56.877 0.058 A 66 ASP CB C 13 40.435 0.032 A 66 ASP N N 15 120.801 0.043 A 67 GLN H H 1 7.563 0.004 A 67 GLN HA H 1 4.236 0.002 A 67 GLN HBx H 1 2.126 0.003 A 67 GLN HBy H 1 2.126 0.003 A 67 GLN HE2y H 1 6.799 0.036 A 67 GLN HGy H 1 2.58 0.003 A 67 GLN HGx H 1 2.399 0.003 A 67 GLN CA C 13 56.822 0.071 A 67 GLN CB C 13 28.988 0.032 A 67 GLN CG C 13 34.331 0.053 A 67 GLN N N 15 116.93 0.05 A 67 GLN NE2 N 15 111.179 0.47 A 68 LYS H H 1 7.541 0.003 A 68 LYS HA H 1 4.209 0.005 A 68 LYS HBy H 1 1.804 0.002 A 68 LYS HBx H 1 1.703 0.003 A 68 LYS HDx H 1 1.603 0.002 A 68 LYS HDy H 1 1.603 0.002 A 68 LYS HEx H 1 2.93 0.007 A 68 LYS HEy H 1 2.93 0.007 A 68 LYS HGx H 1 1.359 0.002 A 68 LYS HGy H 1 1.359 0.002 A 68 LYS CA C 13 56.616 0.012 A 68 LYS CB C 13 32.776 0.064 A 68 LYS CD C 13 29.07 0 A 68 LYS CE C 13 42.171 0 A 68 LYS CG C 13 24.46 0 A 68 LYS N N 15 119.459 0.049 A 69 SER H H 1 7.924 0.001 A 69 SER HA H 1 4.764 0.003 A 69 SER HBx H 1 3.868 0.013 A 69 SER HBy H 1 3.868 0.013 A 69 SER CA C 13 56.466 0.087 A 69 SER CB C 13 63.625 0.034 A 69 SER N N 15 116.863 0.093 A 70 PRO HA H 1 4.537 0.004 A 70 PRO HBy H 1 2.294 0.004 A 70 PRO HBx H 1 1.937 0.005 A 70 PRO HDy H 1 3.776 0.013 A 70 PRO HDx H 1 3.727 0.006 A 70 PRO HGx H 1 2.03 0.008 A 70 PRO HGy H 1 2.03 0.008 A 70 PRO CA C 13 63.416 0.06 A 70 PRO CB C 13 32.16 0.047 A 70 PRO CD C 13 50.92 0 A 70 PRO CG C 13 27.39 0 A 70 PRO N N 15 138.38 0.103 A 71 THR H H 1 8.129 0.002 A 71 THR HA H 1 4.571 0.003 A 71 THR HB H 1 4.128 0.002 A 71 THR HG2% H 1 1.25 0.009 A 71 THR CA C 13 59.876 0.09 A 71 THR CB C 13 69.925 0.064 A 71 THR CG2 C 13 21.635 0.121 A 71 THR N N 15 116.753 0.036 A 72 PRO HA H 1 4.416 0.002 A 72 PRO HBy H 1 2.281 0.005 A 72 PRO HBx H 1 1.876 0.008 A 72 PRO HDy H 1 3.854 0.002 A 72 PRO HDx H 1 3.696 0.002 A 72 PRO HGy H 1 2.028 0 A 72 PRO HGx H 1 1.968 0 A 72 PRO CA C 13 63.357 0.075 A 72 PRO CB C 13 32.218 0.044 A 72 PRO CD C 13 51.39 0 A 72 PRO CG C 13 27.5 0 A 72 PRO N N 15 139.756 0.045 A 73 LYS H H 1 8.235 0.002 A 73 LYS HA H 1 4.61 0.002 A 73 LYS HBx H 1 1.866 0.009 A 73 LYS HBy H 1 1.866 0.009 A 73 LYS HDx H 1 1.709 0.001 A 73 LYS HDy H 1 1.709 0.001 A 73 LYS HEx H 1 3.014 0.012 A 73 LYS HEy H 1 3.014 0.012 A 73 LYS HGx H 1 1.507 0 A 73 LYS HGy H 1 1.507 0 A 73 LYS CA C 13 54.059 0.021 A 73 LYS CB C 13 32.471 0.128 A 73 LYS CD C 13 29.15 0.004 A 73 LYS CE C 13 42.18 0.029 A 73 LYS CG C 13 26.433 0 A 73 LYS N N 15 123.346 0.042 A 74 PRO N N 15 142.905 0.004 B 208 VAL HA H 1 3.77 0.016 B 208 VAL HB H 1 2.185 0.001 B 208 VAL HGx% H 1 0.99 0.005 B 208 VAL HGy% H 1 0.99 0.005 B 209 GLU HA H 1 4.409 0.002 B 209 GLU HBy H 1 1.932 0.004 B 209 GLU HBx H 1 1.82 0 B 209 GLU HGx H 1 2.194 0.007 B 209 GLU HGy H 1 2.194 0.007 B 210 THR HA H 1 4.276 0.004 B 210 THR HB H 1 4.086 0.025 B 210 THR HG2% H 1 1.092 0.006 B 211 PHE HA H 1 4.636 0.018 B 211 PHE HBy H 1 3.169 0.002 B 211 PHE HBx H 1 3.009 0.007 B 211 PHE HDx H 1 7.226 0.009 B 211 PHE HDy H 1 7.226 0.009 B 211 PHE HEx H 1 7.31 0 B 211 PHE HEy H 1 7.31 0 B 211 PHE HZ H 1 7.268 0 B 212 GLY HAx H 1 3.956 0.003 B 212 GLY HAy H 1 3.956 0.003 B 213 THR HA H 1 4.402 0 B 213 THR HB H 1 4.241 0.005 B 213 THR HG2% H 1 1.177 0.005 B 214 THR H H 1 8.116 0 B 214 THR HA H 1 4.345 0.006 B 214 THR HB H 1 4.148 0.007 B 214 THR HG2% H 1 1.12 0.014 B 215 SER HA H 1 4.428 0 B 215 SER HBx H 1 3.724 0.007 B 215 SER HBy H 1 3.724 0.007 B 216 TYS H H 1 8.037 0.006 B 216 TYS HA H 1 4.426 0.006 B 216 TYS HBy H 1 2.86 0.012 B 216 TYS HBx H 1 2.712 0.009 B 216 TYS HDx H 1 7.026 0.007 B 216 TYS HDy H 1 7.026 0.007 B 216 TYS HEx H 1 7.12 0.008 B 216 TYS HEy H 1 7.12 0.008 B 217 TYS H H 1 7.747 0.001 B 217 TYS HA H 1 4.498 0.06 B 217 TYS HBy H 1 3.223 0.015 B 217 TYS HBx H 1 2.874 0.026 B 217 TYS HDx H 1 7.198 0.008 B 217 TYS HDy H 1 7.198 0.008 B 217 TYS HEx H 1 7.198 0.008 B 217 TYS HEy H 1 7.198 0.008 B 218 ASP HA H 1 4.588 0.001 B 218 ASP HBy H 1 2.674 0.009 B 218 ASP HBx H 1 2.624 0.013 B 219 ASP HA H 1 4.603 0.01 B 219 ASP HBy H 1 2.683 0.007 B 219 ASP HBx H 1 2.628 0.012 B 220 VAL H H 1 7.942 0.006 B 220 VAL HA H 1 4.108 0.007 B 220 VAL HB H 1 2.15 0.007 B 220 VAL HGx% H 1 0.911 0.01 B 220 VAL HGy% H 1 0.911 0.01 B 221 GLY H H 1 8.363 0.001 B 221 GLY HAy H 1 3.933 0.012 B 221 GLY HAx H 1 3.901 0.006 B 222 LEU H H 1 7.877 0.008 B 222 LEU HA H 1 4.366 0.006 B 222 LEU HBx H 1 1.597 0.008 B 222 LEU HBy H 1 1.597 0.008 B 222 LEU HDx% H 1 0.799 0.005 B 222 LEU HDy% H 1 0.799 0.005 B 223 LEU H H 1 7.655 0.007 B 223 LEU HA H 1 4.188 0.008 B 223 LEU HBx H 1 1.584 0.008 B 223 LEU HBy H 1 1.584 0.008 B 223 LEU HDx% H 1 0.853 0.01 B 223 LEU HDy% H 1 0.853 0.01 B 223 LEU HG H 1 1.555 0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type . save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 2 PRO HA A 1 GLY HAx 1.0 0.0 4.24 2 1 A 1 GLY HAy A 2 PRO HA 1.0 0.0 4.24 3 2 A 1 GLY HAy A 2 PRO HBx 1.0 0.0 4.98 4 2 A 1 GLY HAx A 2 PRO HBx 1.0 0.0 4.98 5 2 A 2 PRO HBy A 1 GLY HAx 1.0 0.0 4.98 6 2 A 1 GLY HAy A 2 PRO HBy 1.0 0.0 4.98 7 3 A 1 GLY HAy A 2 PRO HGx 1.0 0.0 4.42 8 3 A 1 GLY HAx A 2 PRO HGx 1.0 0.0 4.42 9 3 A 2 PRO HGy A 1 GLY HAx 1.0 0.0 4.42 10 3 A 1 GLY HAy A 2 PRO HGy 1.0 0.0 4.42 11 4 A 3 ALA HA A 4 SER HBx 1.0 0.0 4.31 12 4 A 3 ALA HA A 4 SER HBy 1.0 0.0 4.31 13 5 A 3 ALA HB% A 4 SER HBx 1.0 0.0 4.42 14 5 A 4 SER HBy A 3 ALA HB% 1.0 0.0 4.42 15 6 A 4 SER HA A 4 SER HBx 1.0 0.0 2.96 16 6 A 4 SER HBy A 4 SER HA 1.0 0.0 2.96 17 7 A 29 ILE HG2% A 4 SER HBx 1.0 0.0 4.87 18 7 A 4 SER HBy A 29 ILE HG2% 1.0 0.0 4.87 19 8 A 4 SER HBy A 5 VAL HGx% 1.0 0.0 4.13 20 8 A 4 SER HBx A 5 VAL HGx% 1.0 0.0 4.13 21 8 A 5 VAL HGy% A 4 SER HBx 1.0 0.0 4.13 22 8 A 4 SER HBy A 5 VAL HGy% 1.0 0.0 4.13 23 9 A 5 VAL HA A 5 VAL HGx% 1.0 0.0 3.37 24 9 A 5 VAL HGy% A 5 VAL HA 1.0 0.0 3.37 25 10 A 6 PRO HA A 5 VAL HGx% 1.0 0.0 4.38 26 10 A 5 VAL HGy% A 6 PRO HA 1.0 0.0 4.38 27 11 A 12 ASN HA A 12 ASN HBx 1.0 0.0 2.93 28 12 A 12 ASN HA A 13 LEU HG 1.0 0.0 4.07 29 13 A 12 ASN HBx A 13 LEU HG 1.0 0.0 4.21 30 14 A 12 ASN HBx A 35 PRO HBx 1.0 0.0 4.37 31 14 A 12 ASN HBx A 35 PRO HBy 1.0 0.0 4.37 32 15 A 12 ASN HBx A 35 PRO HDx 1.0 0.0 4.59 33 15 A 12 ASN HBx A 35 PRO HDy 1.0 0.0 4.59 34 16 A 12 ASN HBx A 35 PRO HGy 1.0 0.0 4.49 35 16 A 12 ASN HBx A 35 PRO HGx 1.0 0.0 4.49 36 17 A 12 ASN HBy A 13 LEU HDy% 1.0 0.0 4.22 37 18 A 13 LEU HG A 12 ASN HBy 1.0 0.0 4.80 38 19 A 12 ASN HBy A 35 PRO HGy 1.0 0.0 4.59 39 19 A 35 PRO HGx A 12 ASN HBy 1.0 0.0 4.59 40 20 A 13 LEU HA A 13 LEU HDx% 1.0 0.0 4.09 41 21 A 13 LEU HDy% A 13 LEU HA 1.0 0.0 3.05 42 22 A 13 LEU HG A 13 LEU HA 1.0 0.0 3.66 43 23 A 13 LEU HA A 50 CYS HBx 1.0 0.0 3.95 44 24 A 13 LEU HA A 50 CYS HBy 1.0 0.0 3.67 45 25 A 13 LEU HA A 51 ALA HA 1.0 0.0 4.45 46 26 A 13 LEU HA A 55 LYS HDx 1.0 0.0 5.50 47 26 A 13 LEU HA A 55 LYS HDy 1.0 0.0 5.50 48 27 A 13 LEU HDx% A 13 LEU HBx 1.0 0.0 3.07 49 28 A 13 LEU HDy% A 13 LEU HBx 1.0 0.0 3.46 50 29 A 50 CYS HBy A 13 LEU HBx 1.0 0.0 4.75 51 30 A 51 ALA HA A 13 LEU HBx 1.0 0.0 3.85 52 31 A 13 LEU HBx A 52 ASP HBx 1.0 0.0 4.70 53 31 A 13 LEU HBx A 52 ASP HBy 1.0 0.0 4.70 54 32 A 13 LEU HDx% A 13 LEU HBy 1.0 0.0 3.09 55 33 A 13 LEU HBy A 14 ALA H 1.0 0.0 4.31 56 34 A 13 LEU HDx% A 36 GLN HGx 1.0 0.0 3.99 57 34 A 13 LEU HDx% A 36 GLN HGy 1.0 0.0 3.99 58 35 A 13 LEU HDx% A 51 ALA HA 1.0 0.0 4.83 59 36 A 13 LEU HDx% A 52 ASP HA 1.0 0.0 4.46 60 37 A 13 LEU HDx% A 52 ASP HBx 1.0 0.0 3.81 61 38 A 13 LEU HDx% A 52 ASP HBy 1.0 0.0 3.51 62 39 A 13 LEU HDx% A 53 PRO HDx 1.0 0.0 5.37 63 39 A 13 LEU HDx% A 53 PRO HDy 1.0 0.0 5.37 64 40 A 13 LEU HDx% A 55 LYS HDx 1.0 0.0 4.59 65 40 A 13 LEU HDx% A 55 LYS HDy 1.0 0.0 4.59 66 41 A 13 LEU HDx% A 55 LYS HEx 1.0 0.0 4.39 67 41 A 13 LEU HDx% A 55 LYS HEy 1.0 0.0 4.39 68 42 A 13 LEU HDy% A 38 ALA HA 1.0 0.0 4.70 69 43 A 13 LEU HDy% A 38 ALA HB% 1.0 0.0 2.91 70 44 A 13 LEU HDy% A 50 CYS HBx 1.0 0.0 3.65 71 45 A 13 LEU HDy% A 50 CYS HBy 1.0 0.0 4.17 72 46 A 13 LEU HDy% A 51 ALA HA 1.0 0.0 3.99 73 47 A 13 LEU HDy% A 52 ASP HA 1.0 0.0 4.17 74 48 A 13 LEU HDy% A 52 ASP HBx 1.0 0.0 4.15 75 48 A 13 LEU HDy% A 52 ASP HBy 1.0 0.0 4.15 76 49 A 13 LEU HG B 211 PHE HD% 1.0 0.0 5.40 77 50 A 13 LEU HG A 38 ALA HB% 1.0 0.0 5.14 78 51 A 13 LEU HG A 50 CYS HBx 1.0 0.0 5.45 79 52 B 211 PHE HD% A 14 ALA HA 1.0 0.0 5.10 80 53 A 14 ALA HB% A 15 ASN HA 1.0 0.0 4.48 81 54 A 14 ALA HB% A 15 ASN HBx 1.0 0.0 5.39 82 54 A 14 ALA HB% A 15 ASN HBy 1.0 0.0 5.39 83 55 A 14 ALA HB% A 15 ASN HD2x 1.0 0.0 5.33 84 55 A 14 ALA HB% A 15 ASN HD2y 1.0 0.0 5.33 85 56 B 211 PHE HD% A 14 ALA HB% 1.0 0.0 4.80 86 57 A 14 ALA HB% A 49 ILE HG2% 1.0 0.0 2.95 87 58 A 14 ALA HB% A 50 CYS HA 1.0 0.0 5.33 88 59 A 50 CYS HBy A 14 ALA HB% 1.0 0.0 5.50 89 60 A 51 ALA HA A 14 ALA HB% 1.0 0.0 4.40 90 61 A 14 ALA HB% A 51 ALA HB% 1.0 0.0 3.27 91 62 A 14 ALA H A 14 ALA HB% 1.0 0.0 3.87 92 63 A 15 ASN HA A 15 ASN HBx 1.0 0.0 2.51 93 63 A 15 ASN HA A 15 ASN HBy 1.0 0.0 2.51 94 64 A 15 ASN HA A 16 ARG HA 1.0 0.0 4.63 95 65 A 15 ASN HA A 16 ARG HGy 1.0 0.0 5.36 96 66 A 15 ASN HA B 211 PHE HA 1.0 0.0 4.00 97 67 A 15 ASN HA B 211 PHE HZ 1.0 0.0 5.50 98 68 A 15 ASN HA A 55 LYS HDx 1.0 0.0 4.77 99 68 A 55 LYS HDy A 15 ASN HA 1.0 0.0 4.77 100 69 A 15 ASN HA A 55 LYS HEx 1.0 0.0 4.83 101 70 A 55 LYS HEy A 15 ASN HA 1.0 0.0 4.33 102 71 A 16 ARG HGx A 15 ASN HBx 1.0 0.0 3.35 103 71 A 15 ASN HBy A 16 ARG HGx 1.0 0.0 3.35 104 72 A 16 ARG HA A 16 ARG HDy 1.0 0.0 4.45 105 72 A 16 ARG HA A 16 ARG HDx 1.0 0.0 4.45 106 73 A 16 ARG HA A 16 ARG HGx 1.0 0.0 3.74 107 74 A 16 ARG HBx A 16 ARG HDy 1.0 0.0 3.64 108 74 A 16 ARG HDx A 16 ARG HBx 1.0 0.0 3.64 109 75 A 16 ARG HBx A 17 LYS HBy 1.0 0.0 5.34 110 75 A 16 ARG HBx A 17 LYS HBx 1.0 0.0 5.34 111 76 A 16 ARG HBx B 216 TYS HBy 1.0 0.0 4.68 112 77 A 16 ARG HBy A 16 ARG HDy 1.0 0.0 3.58 113 77 A 16 ARG HDx A 16 ARG HBy 1.0 0.0 3.58 114 78 B 216 TYS HBy A 16 ARG HBy 1.0 0.0 4.44 115 79 A 17 LYS HA A 57 TRP HE1 1.0 0.0 5.00 116 80 A 17 LYS HBy A 17 LYS HDy 1.0 0.0 3.03 117 80 A 17 LYS HBx A 17 LYS HDy 1.0 0.0 3.03 118 80 A 17 LYS HDx A 17 LYS HBy 1.0 0.0 3.03 119 80 A 17 LYS HBx A 17 LYS HDx 1.0 0.0 3.03 120 81 A 17 LYS HBx A 17 LYS HEy 1.0 0.0 3.90 121 81 A 17 LYS HBy A 17 LYS HEy 1.0 0.0 3.90 122 81 A 17 LYS HEx A 17 LYS HBy 1.0 0.0 3.90 123 81 A 17 LYS HBx A 17 LYS HEx 1.0 0.0 3.90 124 82 A 17 LYS HBx A 57 TRP HBy 1.0 0.0 3.78 125 82 A 17 LYS HBy A 57 TRP HBy 1.0 0.0 3.78 126 82 A 57 TRP HBx A 17 LYS HBy 1.0 0.0 3.78 127 82 A 17 LYS HBx A 57 TRP HBx 1.0 0.0 3.78 128 83 A 57 TRP HD1 A 17 LYS HBy 1.0 0.0 5.84 129 83 A 17 LYS HBx A 57 TRP HD1 1.0 0.0 5.84 130 84 A 17 LYS HDx A 57 TRP HBx 1.0 0.0 4.85 131 85 A 17 LYS HDx A 57 TRP HBy 1.0 0.0 5.30 132 86 A 57 TRP HBx A 17 LYS HDy 1.0 0.0 5.00 133 87 A 17 LYS HDy A 57 TRP HBy 1.0 0.0 4.65 134 88 A 20 LEU HDx% A 17 LYS HDy 1.0 0.0 4.66 135 88 A 17 LYS HDx A 20 LEU HDx% 1.0 0.0 4.66 136 89 A 57 TRP HA A 17 LYS HDy 1.0 0.0 4.47 137 89 A 17 LYS HDx A 57 TRP HA 1.0 0.0 4.47 138 90 A 17 LYS HDx A 57 TRP HBy 1.0 0.0 3.49 139 90 A 57 TRP HBx A 17 LYS HDy 1.0 0.0 3.49 140 90 A 17 LYS HDx A 57 TRP HBx 1.0 0.0 3.49 141 90 A 17 LYS HDy A 57 TRP HBy 1.0 0.0 3.49 142 91 A 57 TRP HD1 A 17 LYS HDy 1.0 0.0 5.34 143 91 A 17 LYS HDx A 57 TRP HD1 1.0 0.0 5.34 144 92 A 20 LEU HDx% A 17 LYS HEy 1.0 0.0 4.30 145 92 A 17 LYS HEx A 20 LEU HDx% 1.0 0.0 4.30 146 93 A 17 LYS HEy A 57 TRP HBy 1.0 0.0 4.76 147 93 A 17 LYS HEx A 57 TRP HBy 1.0 0.0 4.76 148 93 A 57 TRP HBx A 17 LYS HEy 1.0 0.0 4.76 149 93 A 17 LYS HEx A 57 TRP HBx 1.0 0.0 4.76 150 94 A 17 LYS HEx A 17 LYS HGy 1.0 0.0 3.02 151 94 A 17 LYS HEy A 17 LYS HGy 1.0 0.0 3.02 152 94 A 17 LYS HGx A 17 LYS HEy 1.0 0.0 3.02 153 94 A 17 LYS HEx A 17 LYS HGx 1.0 0.0 3.02 154 95 A 18 ILE H A 17 LYS HGy 1.0 0.0 4.36 155 95 A 17 LYS HGx A 18 ILE H 1.0 0.0 4.36 156 96 A 17 LYS HGy A 57 TRP HBy 1.0 0.0 4.27 157 96 A 17 LYS HGx A 57 TRP HBy 1.0 0.0 4.27 158 96 A 57 TRP HBx A 17 LYS HGy 1.0 0.0 4.27 159 96 A 57 TRP HBx A 17 LYS HGx 1.0 0.0 4.27 160 97 A 18 ILE HA A 18 ILE HD1% 1.0 0.0 3.36 161 98 A 18 ILE HA A 18 ILE HG1x 1.0 0.0 3.70 162 99 A 18 ILE HA A 18 ILE HG1y 1.0 0.0 4.15 163 100 A 18 ILE HA A 18 ILE HG2% 1.0 0.0 3.23 164 101 A 18 ILE HA A 19 PRO HDx 1.0 0.0 3.22 165 102 A 18 ILE HA A 19 PRO HDy 1.0 0.0 3.36 166 103 A 18 ILE HA A 19 PRO HGx 1.0 0.0 4.67 167 104 A 18 ILE HA A 19 PRO HGy 1.0 0.0 4.59 168 105 A 19 PRO HDy A 18 ILE HB 1.0 0.0 4.82 169 106 A 18 ILE HB A 23 LEU HG 1.0 0.0 5.40 170 107 A 18 ILE HB A 49 ILE HG1x 1.0 0.0 5.28 171 107 A 18 ILE HB A 49 ILE HG1y 1.0 0.0 5.28 172 108 A 18 ILE HD1% A 19 PRO HDx 1.0 0.0 3.62 173 109 A 18 ILE HD1% A 19 PRO HDy 1.0 0.0 3.91 174 110 A 18 ILE HD1% A 19 PRO HGx 1.0 0.0 4.41 175 111 A 18 ILE HD1% A 19 PRO HGy 1.0 0.0 4.78 176 112 A 18 ILE HD1% A 22 ARG HBx 1.0 0.0 5.44 177 113 A 18 ILE HD1% A 22 ARG HBy 1.0 0.0 5.00 178 114 A 18 ILE HD1% A 22 ARG HDx 1.0 0.0 5.20 179 115 A 18 ILE HD1% A 43 THR HA 1.0 0.0 5.96 180 116 A 18 ILE HD1% A 43 THR HB 1.0 0.0 4.46 181 117 A 18 ILE HD1% A 43 THR HG2% 1.0 0.0 2.84 182 118 A 18 ILE HD1% A 49 ILE HB 1.0 0.0 4.13 183 119 A 18 ILE HD1% A 49 ILE HG1x 1.0 0.0 2.97 184 119 A 18 ILE HD1% A 49 ILE HG1y 1.0 0.0 2.97 185 120 A 18 ILE HG1x A 19 PRO HDy 1.0 0.0 4.83 186 121 A 18 ILE HG1x A 43 THR HG2% 1.0 0.0 4.20 187 122 A 18 ILE HG1x A 49 ILE HG1x 1.0 0.0 3.24 188 122 A 18 ILE HG1x A 49 ILE HG1y 1.0 0.0 3.24 189 123 A 49 ILE HG2% A 18 ILE HG1x 1.0 0.0 3.21 190 124 A 49 ILE HG2% A 18 ILE HG1y 1.0 0.0 3.02 191 125 A 18 ILE HG1y A 18 ILE HG2% 1.0 0.0 3.40 192 126 A 18 ILE HG2% A 19 PRO HA 1.0 0.0 4.32 193 127 A 18 ILE HG2% A 19 PRO HBx 1.0 0.0 5.00 194 128 A 18 ILE HG2% A 19 PRO HBy 1.0 0.0 4.50 195 129 A 18 ILE HG2% A 19 PRO HDx 1.0 0.0 3.62 196 130 A 18 ILE HG2% A 19 PRO HDy 1.0 0.0 3.28 197 131 A 18 ILE HG2% A 19 PRO HGx 1.0 0.0 4.17 198 132 A 18 ILE HG2% A 19 PRO HGy 1.0 0.0 4.17 199 133 A 18 ILE HG2% A 20 LEU HA 1.0 0.0 4.15 200 134 A 18 ILE HG2% A 21 GLN HGx 1.0 0.0 5.28 201 134 A 18 ILE HG2% A 21 GLN HGy 1.0 0.0 5.28 202 135 A 18 ILE HG2% A 22 ARG HBx 1.0 0.0 5.01 203 136 A 18 ILE HG2% A 22 ARG HDy 1.0 0.0 5.14 204 137 A 18 ILE HG2% A 22 ARG H 1.0 0.0 4.61 205 138 A 18 ILE HG2% A 23 LEU HA 1.0 0.0 3.69 206 139 A 18 ILE HG2% A 23 LEU HBy 1.0 0.0 4.17 207 140 A 18 ILE HG2% A 23 LEU HDy% 1.0 0.0 3.90 208 141 A 18 ILE HG2% A 23 LEU HG 1.0 0.0 3.83 209 142 A 18 ILE HG2% A 41 PHE HBx 1.0 0.0 3.92 210 143 A 18 ILE HG2% A 41 PHE HBy 1.0 0.0 4.27 211 144 A 18 ILE HG2% A 43 THR HA 1.0 0.0 5.42 212 145 A 18 ILE HG2% A 43 THR HB 1.0 0.0 4.42 213 146 A 18 ILE HG2% A 43 THR HG2% 1.0 0.0 3.14 214 147 A 18 ILE HG2% A 49 ILE HG1x 1.0 0.0 4.88 215 147 A 18 ILE HG2% A 49 ILE HG1y 1.0 0.0 4.88 216 148 A 49 ILE HG2% A 18 ILE HG2% 1.0 0.0 4.48 217 149 A 18 ILE H A 18 ILE HG2% 1.0 0.0 4.54 218 150 A 19 PRO HA A 20 LEU HA 1.0 0.0 4.53 219 151 A 19 PRO HA A 20 LEU HBy 1.0 0.0 4.72 220 152 A 19 PRO HA A 20 LEU H 1.0 0.0 3.06 221 153 A 19 PRO HA A 21 GLN HGx 1.0 0.0 4.41 222 153 A 19 PRO HA A 21 GLN HGy 1.0 0.0 4.41 223 154 A 19 PRO HBx A 20 LEU H 1.0 0.0 4.29 224 155 A 19 PRO HBx B 217 TYS HBy 1.0 0.0 5.41 225 156 A 22 ARG HDx A 19 PRO HBx 1.0 0.0 5.09 226 157 A 19 PRO HBx A 22 ARG HDy 1.0 0.0 4.31 227 158 A 19 PRO HBy A 20 LEU H 1.0 0.0 4.01 228 159 A 19 PRO HBy A 21 GLN HGx 1.0 0.0 3.83 229 159 A 19 PRO HBy A 21 GLN HGy 1.0 0.0 3.83 230 160 A 22 ARG HDx A 19 PRO HBy 1.0 0.0 4.40 231 161 A 19 PRO HBy A 22 ARG HDy 1.0 0.0 4.20 232 162 A 19 PRO HBy A 22 ARG H 1.0 0.0 3.56 233 163 B 216 TYS HBy A 19 PRO HDx 1.0 0.0 4.69 234 164 A 19 PRO HDx A 21 GLN HGx 1.0 0.0 5.50 235 164 A 19 PRO HDx A 21 GLN HGy 1.0 0.0 5.50 236 165 A 19 PRO HDx A 22 ARG HDy 1.0 0.0 5.15 237 166 A 19 PRO HDy A 21 GLN HGx 1.0 0.0 5.50 238 166 A 19 PRO HDy A 21 GLN HGy 1.0 0.0 5.50 239 167 A 19 PRO HDy A 22 ARG HBy 1.0 0.0 4.73 240 168 A 19 PRO HDy A 22 ARG HDy 1.0 0.0 4.91 241 169 A 19 PRO HDy A 43 THR HG2% 1.0 0.0 4.58 242 170 A 19 PRO HDy A 49 ILE HG1x 1.0 0.0 5.60 243 170 A 19 PRO HDy A 49 ILE HG1y 1.0 0.0 5.60 244 171 A 19 PRO HGx A 21 GLN HGx 1.0 0.0 4.58 245 171 A 19 PRO HGx A 21 GLN HGy 1.0 0.0 4.58 246 172 A 19 PRO HGx A 22 ARG HBy 1.0 0.0 3.80 247 173 A 19 PRO HGx A 22 ARG HDx 1.0 0.0 4.80 248 174 A 19 PRO HGx A 22 ARG H 1.0 0.0 4.99 249 175 A 19 PRO HGy A 21 GLN HGx 1.0 0.0 4.21 250 175 A 19 PRO HGy A 21 GLN HGy 1.0 0.0 4.21 251 176 A 19 PRO HGy A 22 ARG HBy 1.0 0.0 4.04 252 177 A 20 LEU HDx% A 20 LEU HA 1.0 0.0 3.25 253 178 A 20 LEU HA A 20 LEU HG 1.0 0.0 3.67 254 179 A 20 LEU HA A 21 GLN HGx 1.0 0.0 5.10 255 179 A 20 LEU HA A 21 GLN HGy 1.0 0.0 5.10 256 180 A 20 LEU HA A 23 LEU HA 1.0 0.0 5.45 257 181 A 20 LEU HA A 23 LEU HBx 1.0 0.0 3.18 258 182 A 20 LEU HA A 23 LEU HBy 1.0 0.0 4.39 259 183 A 20 LEU HA A 23 LEU HDx% 1.0 0.0 3.74 260 184 A 23 LEU HG A 20 LEU HA 1.0 0.0 4.00 261 185 A 20 LEU HA A 61 SER HBx 1.0 0.0 5.20 262 185 A 20 LEU HA A 61 SER HBy 1.0 0.0 5.20 263 186 A 20 LEU HDx% A 20 LEU HBx 1.0 0.0 3.24 264 187 A 20 LEU HBx A 20 LEU HDy% 1.0 0.0 2.77 265 188 A 20 LEU HG A 20 LEU HBx 1.0 0.0 2.84 266 189 A 20 LEU HBx A 21 GLN HA 1.0 0.0 4.50 267 190 A 20 LEU HBx A 21 GLN HBx 1.0 0.0 5.50 268 191 A 20 LEU HBx A 21 GLN HGx 1.0 0.0 5.50 269 191 A 21 GLN HGy A 20 LEU HBx 1.0 0.0 5.50 270 192 A 23 LEU HBx A 20 LEU HBx 1.0 0.0 4.62 271 193 A 23 LEU HDx% A 20 LEU HBx 1.0 0.0 4.65 272 194 A 23 LEU HG A 20 LEU HBx 1.0 0.0 5.80 273 195 A 20 LEU HBx A 64 TYR HBx 1.0 0.0 5.50 274 195 A 20 LEU HBx A 64 TYR HBy 1.0 0.0 5.50 275 196 A 20 LEU HBx A 64 TYR HE% 1.0 0.0 4.17 276 197 A 20 LEU HDx% A 20 LEU HBy 1.0 0.0 2.72 277 198 A 20 LEU HBy A 21 GLN HGx 1.0 0.0 4.61 278 198 A 21 GLN HGy A 20 LEU HBy 1.0 0.0 4.61 279 199 A 20 LEU HBy A 21 GLN H 1.0 0.0 4.17 280 200 A 20 LEU HBy A 64 TYR HE% 1.0 0.0 4.56 281 201 A 20 LEU HDx% A 21 GLN HGx 1.0 0.0 4.89 282 201 A 20 LEU HDx% A 21 GLN HGy 1.0 0.0 4.89 283 202 A 20 LEU HDx% A 23 LEU HBx 1.0 0.0 4.07 284 203 A 20 LEU HDx% A 61 SER HA 1.0 0.0 3.38 285 204 A 20 LEU HDx% A 61 SER HBx 1.0 0.0 3.91 286 204 A 20 LEU HDx% A 61 SER HBy 1.0 0.0 3.91 287 205 A 20 LEU HDx% A 64 TYR HBx 1.0 0.0 4.34 288 205 A 20 LEU HDx% A 64 TYR HBy 1.0 0.0 4.34 289 206 A 20 LEU HDx% A 64 TYR HD% 1.0 0.0 3.67 290 207 A 20 LEU HDx% A 64 TYR HE% 1.0 0.0 4.10 291 208 A 20 LEU HDy% A 21 GLN HGx 1.0 0.0 6.00 292 208 A 21 GLN HGy A 20 LEU HDy% 1.0 0.0 6.00 293 209 A 20 LEU HDy% A 61 SER HA 1.0 0.0 3.34 294 210 A 20 LEU HDy% A 61 SER HBx 1.0 0.0 4.48 295 210 A 61 SER HBy A 20 LEU HDy% 1.0 0.0 4.48 296 211 A 20 LEU HDy% A 64 TYR HBx 1.0 0.0 3.31 297 211 A 20 LEU HDy% A 64 TYR HBy 1.0 0.0 3.31 298 212 A 20 LEU HDy% A 64 TYR HD% 1.0 0.0 3.40 299 213 A 20 LEU HDy% A 64 TYR HE% 1.0 0.0 4.16 300 214 A 20 LEU HG A 61 SER HA 1.0 0.0 3.93 301 215 A 20 LEU HG A 64 TYR HBx 1.0 0.0 4.76 302 215 A 20 LEU HG A 64 TYR HBy 1.0 0.0 4.76 303 216 A 20 LEU HG A 64 TYR HD% 1.0 0.0 4.38 304 217 A 20 LEU HG A 64 TYR HE% 1.0 0.0 4.21 305 218 A 20 LEU H A 20 LEU HBx 1.0 0.0 3.85 306 219 A 20 LEU HDx% A 20 LEU H 1.0 0.0 3.97 307 220 A 20 LEU H A 20 LEU HG 1.0 0.0 4.06 308 221 A 21 GLN HA A 21 GLN HBx 1.0 0.0 2.77 309 222 A 21 GLN HA A 21 GLN HBy 1.0 0.0 2.75 310 223 A 21 GLN HA A 21 GLN HGx 1.0 0.0 3.45 311 223 A 21 GLN HGy A 21 GLN HA 1.0 0.0 3.45 312 224 A 21 GLN HBx A 21 GLN HGx 1.0 0.0 2.54 313 224 A 21 GLN HGy A 21 GLN HBx 1.0 0.0 2.54 314 225 A 21 GLN HBy A 21 GLN HGx 1.0 0.0 2.78 315 225 A 21 GLN HGy A 21 GLN HBy 1.0 0.0 2.78 316 226 A 22 ARG HDy A 21 GLN HBy 1.0 0.0 4.81 317 227 A 22 ARG HA A 21 GLN HGx 1.0 0.0 4.49 318 227 A 21 GLN HGy A 22 ARG HA 1.0 0.0 4.49 319 228 A 22 ARG HDx A 21 GLN HGx 1.0 0.0 4.05 320 228 A 22 ARG HDx A 21 GLN HGy 1.0 0.0 4.05 321 229 A 22 ARG HDy A 21 GLN HGx 1.0 0.0 4.39 322 229 A 21 GLN HGy A 22 ARG HDy 1.0 0.0 4.39 323 230 A 21 GLN HGx A 22 ARG HGx 1.0 0.0 4.30 324 230 A 21 GLN HGy A 22 ARG HGx 1.0 0.0 4.30 325 230 A 22 ARG HGy A 21 GLN HGx 1.0 0.0 4.30 326 230 A 21 GLN HGy A 22 ARG HGy 1.0 0.0 4.30 327 231 A 22 ARG H A 21 GLN HGx 1.0 0.0 4.15 328 231 A 21 GLN HGy A 22 ARG H 1.0 0.0 4.15 329 232 A 21 GLN H A 21 GLN HBy 1.0 0.0 3.96 330 233 A 22 ARG HBx A 22 ARG HA 1.0 0.0 2.88 331 234 A 22 ARG HA A 22 ARG HGx 1.0 0.0 3.34 332 234 A 22 ARG HA A 22 ARG HGy 1.0 0.0 3.34 333 235 A 22 ARG HA A 44 LYS H 1.0 0.0 4.82 334 236 A 22 ARG HBx A 23 LEU H 1.0 0.0 4.25 335 237 A 22 ARG HBx A 43 THR HB 1.0 0.0 3.75 336 238 A 22 ARG HBx A 43 THR HG2% 1.0 0.0 3.84 337 239 A 22 ARG HBx A 44 LYS H 1.0 0.0 3.60 338 240 A 22 ARG HBx A 45 LEU HDx% 1.0 0.0 5.05 339 241 A 22 ARG HBy A 22 ARG HDx 1.0 0.0 4.22 340 242 A 22 ARG HBy A 22 ARG HDy 1.0 0.0 3.91 341 243 A 22 ARG HBy A 23 LEU HBx 1.0 0.0 5.42 342 244 A 22 ARG HBy A 23 LEU H 1.0 0.0 3.50 343 245 A 22 ARG HBy A 43 THR HB 1.0 0.0 3.84 344 246 A 22 ARG HBy A 43 THR HG2% 1.0 0.0 3.80 345 247 A 22 ARG HDx A 45 LEU HDx% 1.0 0.0 4.53 346 248 A 43 THR HG2% A 22 ARG HDy 1.0 0.0 5.80 347 249 A 22 ARG HDy A 45 LEU HDx% 1.0 0.0 5.80 348 250 A 43 THR HB A 22 ARG HGx 1.0 0.0 5.19 349 250 A 43 THR HB A 22 ARG HGy 1.0 0.0 5.19 350 251 A 22 ARG HBx A 22 ARG H 1.0 0.0 3.87 351 252 A 22 ARG HBy A 22 ARG H 1.0 0.0 3.58 352 253 A 22 ARG H A 22 ARG HGx 1.0 0.0 3.88 353 253 A 22 ARG H A 22 ARG HGy 1.0 0.0 3.88 354 254 A 22 ARG H A 23 LEU HBx 1.0 0.0 4.23 355 255 A 22 ARG H A 23 LEU H 1.0 0.0 3.22 356 256 A 23 LEU HA A 23 LEU HDx% 1.0 0.0 3.59 357 257 A 23 LEU HA A 23 LEU HDy% 1.0 0.0 2.87 358 258 A 23 LEU HA A 24 GLU HGx 1.0 0.0 6.00 359 258 A 23 LEU HA A 24 GLU HGy 1.0 0.0 6.00 360 259 A 23 LEU HA A 24 GLU H 1.0 0.0 3.20 361 260 A 23 LEU HA A 41 PHE HBx 1.0 0.0 4.39 362 261 A 43 THR HA A 23 LEU HA 1.0 0.0 3.53 363 262 A 43 THR HB A 23 LEU HA 1.0 0.0 3.67 364 263 A 43 THR HG2% A 23 LEU HA 1.0 0.0 3.81 365 264 A 23 LEU HA A 44 LYS H 1.0 0.0 5.45 366 265 A 23 LEU HBx A 23 LEU HDx% 1.0 0.0 3.44 367 266 A 23 LEU HDy% A 23 LEU HBx 1.0 0.0 3.94 368 267 A 41 PHE HBx A 23 LEU HBx 1.0 0.0 5.33 369 268 A 23 LEU HBx A 41 PHE HD% 1.0 0.0 6.00 370 269 A 43 THR HB A 23 LEU HBx 1.0 0.0 4.95 371 270 A 23 LEU HBx A 64 TYR HE% 1.0 0.0 4.83 372 271 A 23 LEU HBx A 65 LEU HDx% 1.0 0.0 4.59 373 272 A 23 LEU HBy A 23 LEU HDx% 1.0 0.0 3.34 374 273 A 23 LEU HBy A 23 LEU HDy% 1.0 0.0 3.57 375 274 A 23 LEU HBy A 41 PHE HBx 1.0 0.0 4.06 376 275 A 23 LEU HBy A 64 TYR HE% 1.0 0.0 4.98 377 276 A 23 LEU HBy A 65 LEU HDx% 1.0 0.0 4.77 378 277 A 23 LEU HDx% A 24 GLU HBx 1.0 0.0 4.73 379 278 A 23 LEU HDx% A 25 SER HA 1.0 0.0 3.75 380 279 A 41 PHE HBx A 23 LEU HDx% 1.0 0.0 5.00 381 280 A 43 THR HA A 23 LEU HDx% 1.0 0.0 5.93 382 281 A 23 LEU HDx% A 64 TYR HBx 1.0 0.0 5.35 383 281 A 23 LEU HDx% A 64 TYR HBy 1.0 0.0 5.35 384 282 A 23 LEU HDx% A 65 LEU HDx% 1.0 0.0 3.47 385 283 A 23 LEU HDy% A 24 GLU HBx 1.0 0.0 3.94 386 284 A 23 LEU HDy% A 26 TYR HA 1.0 0.0 4.21 387 285 A 23 LEU HDy% A 41 PHE HA 1.0 0.0 3.78 388 286 A 23 LEU HDy% A 41 PHE HBx 1.0 0.0 3.37 389 287 A 23 LEU HDy% A 41 PHE HBy 1.0 0.0 3.82 390 288 A 23 LEU HDy% A 42 LYS H 1.0 0.0 4.11 391 289 A 43 THR HA A 23 LEU HDy% 1.0 0.0 4.28 392 290 A 43 THR HB A 23 LEU HDy% 1.0 0.0 4.39 393 291 A 43 THR HG2% A 23 LEU HDy% 1.0 0.0 4.13 394 292 A 23 LEU HDy% A 65 LEU HDx% 1.0 0.0 3.45 395 293 A 23 LEU HG A 61 SER HA 1.0 0.0 5.07 396 294 A 23 LEU HG A 65 LEU HDx% 1.0 0.0 3.46 397 295 A 23 LEU HBx A 23 LEU H 1.0 0.0 3.54 398 296 A 23 LEU HBy A 23 LEU H 1.0 0.0 3.75 399 297 A 23 LEU HDx% A 23 LEU H 1.0 0.0 4.05 400 298 A 23 LEU H A 24 GLU H 1.0 0.0 4.73 401 299 A 24 GLU HBx A 24 GLU HA 1.0 0.0 2.96 402 300 A 24 GLU HA A 24 GLU HGx 1.0 0.0 3.44 403 300 A 24 GLU HGy A 24 GLU HA 1.0 0.0 3.44 404 301 A 24 GLU HA A 65 LEU HDy% 1.0 0.0 4.41 405 302 A 24 GLU HA A 68 LYS HEx 1.0 0.0 5.36 406 302 A 24 GLU HA A 68 LYS HEy 1.0 0.0 5.36 407 303 A 24 GLU HBx A 24 GLU HGx 1.0 0.0 2.68 408 303 A 24 GLU HGy A 24 GLU HBx 1.0 0.0 2.68 409 304 A 24 GLU HBx A 25 SER HBx 1.0 0.0 4.90 410 305 A 43 THR HA A 24 GLU HBx 1.0 0.0 3.82 411 306 A 24 GLU HBy A 24 GLU HGx 1.0 0.0 2.55 412 306 A 24 GLU HGy A 24 GLU HBy 1.0 0.0 2.55 413 307 A 43 THR HA A 24 GLU HBy 1.0 0.0 4.32 414 308 A 25 SER HA A 24 GLU HGx 1.0 0.0 4.02 415 308 A 24 GLU HGy A 25 SER HA 1.0 0.0 4.02 416 309 A 25 SER HBy A 24 GLU HGx 1.0 0.0 3.58 417 309 A 24 GLU HGy A 25 SER HBy 1.0 0.0 3.58 418 310 A 25 SER HBx A 24 GLU HGx 1.0 0.0 3.72 419 310 A 24 GLU HGy A 25 SER HBx 1.0 0.0 3.72 420 311 A 24 GLU HGy A 42 LYS HEx 1.0 0.0 4.99 421 311 A 24 GLU HGx A 42 LYS HEx 1.0 0.0 4.99 422 311 A 42 LYS HEy A 24 GLU HGx 1.0 0.0 4.99 423 311 A 24 GLU HGy A 42 LYS HEy 1.0 0.0 4.99 424 312 A 24 GLU HGx A 42 LYS HGx 1.0 0.0 4.13 425 312 A 24 GLU HGy A 42 LYS HGx 1.0 0.0 4.13 426 312 A 42 LYS HGy A 24 GLU HGx 1.0 0.0 4.13 427 312 A 24 GLU HGy A 42 LYS HGy 1.0 0.0 4.13 428 313 A 65 LEU HDy% A 24 GLU HGx 1.0 0.0 4.70 429 313 A 24 GLU HGy A 65 LEU HDy% 1.0 0.0 4.70 430 314 A 24 GLU H A 24 GLU HBx 1.0 0.0 3.50 431 315 A 24 GLU H A 24 GLU HBy 1.0 0.0 3.85 432 316 A 24 GLU H A 24 GLU HGx 1.0 0.0 4.19 433 316 A 24 GLU HGy A 24 GLU H 1.0 0.0 4.19 434 317 A 24 GLU H A 25 SER H 1.0 0.0 3.33 435 318 A 43 THR HA A 24 GLU H 1.0 0.0 3.71 436 319 A 43 THR HG2% A 24 GLU H 1.0 0.0 4.85 437 320 A 25 SER HA A 25 SER HBy 1.0 0.0 3.01 438 321 A 25 SER HA A 25 SER HBx 1.0 0.0 2.80 439 322 A 25 SER HA A 26 TYR HA 1.0 0.0 4.68 440 323 A 25 SER HA A 26 TYR HD% 1.0 0.0 4.40 441 324 A 25 SER HA A 26 TYR H 1.0 0.0 3.30 442 325 A 25 SER HA A 41 PHE HA 1.0 0.0 5.39 443 326 A 41 PHE HD% A 25 SER HA 1.0 0.0 4.96 444 327 A 25 SER HA A 65 LEU HBx 1.0 0.0 4.27 445 328 A 25 SER HA A 65 LEU HBy 1.0 0.0 5.26 446 329 A 65 LEU HDx% A 25 SER HA 1.0 0.0 3.18 447 330 A 25 SER HA A 65 LEU HDy% 1.0 0.0 3.26 448 331 A 25 SER HA A 65 LEU HG 1.0 0.0 5.50 449 332 A 25 SER HA A 70 PRO HBx 1.0 0.0 5.50 450 333 A 25 SER HA A 70 PRO HBy 1.0 0.0 5.50 451 334 A 25 SER HA A 70 PRO HBx 1.0 0.0 4.75 452 334 A 25 SER HA A 70 PRO HBy 1.0 0.0 4.75 453 335 A 25 SER HA A 70 PRO HGx 1.0 0.0 4.33 454 335 A 25 SER HA A 70 PRO HGy 1.0 0.0 4.33 455 336 A 25 SER HBy A 42 LYS HDx 1.0 0.0 4.20 456 336 A 25 SER HBy A 42 LYS HDy 1.0 0.0 4.20 457 337 A 25 SER HBy A 42 LYS HGx 1.0 0.0 4.56 458 337 A 25 SER HBy A 42 LYS HGy 1.0 0.0 4.56 459 338 A 65 LEU HDx% A 25 SER HBy 1.0 0.0 5.50 460 339 A 65 LEU HDy% A 25 SER HBy 1.0 0.0 5.02 461 340 A 25 SER HBy A 70 PRO HGx 1.0 0.0 5.50 462 340 A 25 SER HBy A 70 PRO HGy 1.0 0.0 5.50 463 341 A 25 SER HBx A 26 TYR H 1.0 0.0 4.15 464 342 A 25 SER HBx A 42 LYS HGx 1.0 0.0 5.23 465 342 A 25 SER HBx A 42 LYS HGy 1.0 0.0 5.23 466 343 A 65 LEU HDx% A 25 SER HBx 1.0 0.0 4.69 467 344 A 65 LEU HDy% A 25 SER HBx 1.0 0.0 4.28 468 345 A 25 SER HBx A 70 PRO HBx 1.0 0.0 4.69 469 345 A 25 SER HBx A 70 PRO HBy 1.0 0.0 4.69 470 346 A 26 TYR HA A 26 TYR HD% 1.0 0.0 3.68 471 347 A 26 TYR HA A 27 ARG HA 1.0 0.0 4.70 472 348 A 26 TYR HA A 27 ARG HBx 1.0 0.0 4.35 473 348 A 26 TYR HA A 27 ARG HBy 1.0 0.0 4.35 474 349 A 26 TYR HA A 27 ARG H 1.0 0.0 3.20 475 350 A 26 TYR HA A 39 VAL HB 1.0 0.0 4.93 476 351 A 26 TYR HA A 39 VAL HGy% 1.0 0.0 5.21 477 352 A 26 TYR HA A 40 ILE HG2% 1.0 0.0 5.01 478 353 A 26 TYR HA A 41 PHE HA 1.0 0.0 3.07 479 354 A 41 PHE HBx A 26 TYR HA 1.0 0.0 5.02 480 355 A 41 PHE HD% A 26 TYR HA 1.0 0.0 3.77 481 356 A 65 LEU HDx% A 26 TYR HA 1.0 0.0 4.51 482 357 A 27 ARG H A 26 TYR HBy 1.0 0.0 4.26 483 358 A 39 VAL HGy% A 26 TYR HBy 1.0 0.0 4.14 484 359 A 41 PHE HD% A 26 TYR HBy 1.0 0.0 3.02 485 360 A 65 LEU HDx% A 26 TYR HBy 1.0 0.0 3.75 486 361 A 27 ARG H A 26 TYR HBx 1.0 0.0 3.61 487 362 A 39 VAL HB A 26 TYR HBx 1.0 0.0 4.73 488 363 A 26 TYR HBx A 39 VAL HGx% 1.0 0.0 4.28 489 364 A 39 VAL HGy% A 26 TYR HBx 1.0 0.0 3.50 490 365 A 41 PHE HA A 26 TYR HBx 1.0 0.0 4.25 491 366 A 41 PHE HD% A 26 TYR HBx 1.0 0.0 3.92 492 367 A 26 TYR HD% A 27 ARG HA 1.0 0.0 3.74 493 368 A 26 TYR HD% A 27 ARG HBx 1.0 0.0 4.73 494 368 A 26 TYR HD% A 27 ARG HBy 1.0 0.0 4.73 495 369 A 26 TYR HD% A 27 ARG H 1.0 0.0 3.96 496 370 A 26 TYR HD% A 28 ARG HGx 1.0 0.0 5.01 497 371 A 26 TYR HD% A 39 VAL HB 1.0 0.0 4.34 498 372 A 26 TYR HD% A 39 VAL HGx% 1.0 0.0 4.79 499 373 A 26 TYR HD% A 39 VAL HGy% 1.0 0.0 3.95 500 374 A 26 TYR HD% A 62 MET HA 1.0 0.0 3.52 501 375 A 26 TYR HD% A 62 MET HE% 1.0 0.0 3.94 502 376 A 26 TYR HD% A 65 LEU HBx 1.0 0.0 4.23 503 377 A 26 TYR HD% A 65 LEU HBy 1.0 0.0 3.62 504 378 A 65 LEU HDx% A 26 TYR HD% 1.0 0.0 3.03 505 379 A 26 TYR HD% A 65 LEU HG 1.0 0.0 5.10 506 380 A 27 ARG HA A 26 TYR HE% 1.0 0.0 4.29 507 381 A 26 TYR HE% A 28 ARG HBy 1.0 0.0 5.49 508 382 A 26 TYR HE% A 62 MET HBx 1.0 0.0 4.65 509 383 A 26 TYR HE% A 62 MET HBy 1.0 0.0 4.51 510 384 A 65 LEU HBx A 26 TYR HE% 1.0 0.0 4.70 511 385 A 65 LEU HBy A 26 TYR HE% 1.0 0.0 3.93 512 386 A 26 TYR H A 26 TYR HBy 1.0 0.0 4.13 513 387 A 26 TYR HD% A 26 TYR H 1.0 0.0 3.71 514 388 A 26 TYR H A 27 ARG H 1.0 0.0 4.79 515 389 A 65 LEU HDx% A 26 TYR H 1.0 0.0 3.92 516 390 A 27 ARG HA A 27 ARG HBx 1.0 0.0 2.59 517 390 A 27 ARG HA A 27 ARG HBy 1.0 0.0 2.59 518 391 A 27 ARG HA A 27 ARG HGx 1.0 0.0 3.65 519 392 A 27 ARG HA A 39 VAL HA 1.0 0.0 5.21 520 393 A 27 ARG HA A 40 ILE H 1.0 0.0 4.66 521 394 A 27 ARG HBx A 27 ARG HDx 1.0 0.0 2.73 522 394 A 27 ARG HBy A 27 ARG HDx 1.0 0.0 2.73 523 394 A 27 ARG HDy A 27 ARG HBx 1.0 0.0 2.73 524 394 A 27 ARG HBy A 27 ARG HDy 1.0 0.0 2.73 525 395 A 27 ARG HBx A 27 ARG HGx 1.0 0.0 2.41 526 395 A 27 ARG HBy A 27 ARG HGx 1.0 0.0 2.41 527 395 A 27 ARG HGy A 27 ARG HBx 1.0 0.0 2.41 528 395 A 27 ARG HBy A 27 ARG HGy 1.0 0.0 2.41 529 396 A 28 ARG H A 27 ARG HBx 1.0 0.0 4.03 530 396 A 27 ARG HBy A 28 ARG H 1.0 0.0 4.03 531 397 A 40 ILE HD1% A 27 ARG HBx 1.0 0.0 5.10 532 397 A 27 ARG HBy A 40 ILE HD1% 1.0 0.0 5.10 533 398 A 40 ILE HG2% A 27 ARG HBx 1.0 0.0 4.30 534 398 A 27 ARG HBy A 40 ILE HG2% 1.0 0.0 4.30 535 399 A 28 ARG HA A 27 ARG HDx 1.0 0.0 4.79 536 399 A 27 ARG HDy A 28 ARG HA 1.0 0.0 4.79 537 400 A 40 ILE HB A 27 ARG HDx 1.0 0.0 4.88 538 400 A 27 ARG HDy A 40 ILE HB 1.0 0.0 4.88 539 401 A 40 ILE HD1% A 27 ARG HDx 1.0 0.0 4.32 540 401 A 27 ARG HDy A 40 ILE HD1% 1.0 0.0 4.32 541 402 A 40 ILE HG2% A 27 ARG HDx 1.0 0.0 5.49 542 402 A 40 ILE HG2% A 27 ARG HDy 1.0 0.0 5.49 543 403 A 27 ARG H A 27 ARG HBx 1.0 0.0 4.10 544 403 A 27 ARG HBy A 27 ARG H 1.0 0.0 4.10 545 404 A 27 ARG H A 27 ARG HGx 1.0 0.0 4.67 546 404 A 27 ARG H A 27 ARG HGy 1.0 0.0 4.67 547 405 A 27 ARG H A 40 ILE H 1.0 0.0 3.61 548 406 A 41 PHE HA A 27 ARG H 1.0 0.0 5.20 549 407 A 28 ARG HA A 28 ARG HDx 1.0 0.0 4.06 550 407 A 28 ARG HA A 28 ARG HDy 1.0 0.0 4.06 551 408 A 28 ARG HGx A 28 ARG HA 1.0 0.0 3.34 552 409 A 28 ARG HA A 28 ARG HGy 1.0 0.0 3.65 553 410 A 28 ARG HA A 29 ILE HB 1.0 0.0 5.46 554 411 A 28 ARG HA A 29 ILE HD1% 1.0 0.0 4.67 555 412 A 28 ARG HA A 29 ILE HG1x 1.0 0.0 4.63 556 413 A 28 ARG HA A 29 ILE HG1y 1.0 0.0 4.63 557 414 A 28 ARG HA A 29 ILE HG1x 1.0 0.0 3.77 558 414 A 28 ARG HA A 29 ILE HG1y 1.0 0.0 3.77 559 415 A 29 ILE HG2% A 28 ARG HA 1.0 0.0 5.24 560 416 A 28 ARG HA A 29 ILE H 1.0 0.0 3.19 561 417 A 28 ARG HA A 30 THR HG2% 1.0 0.0 4.69 562 418 A 38 ALA HB% A 28 ARG HA 1.0 0.0 5.06 563 419 A 39 VAL HB A 28 ARG HA 1.0 0.0 4.71 564 420 A 39 VAL HGx% A 28 ARG HA 1.0 0.0 4.04 565 421 A 28 ARG HBx A 28 ARG HDx 1.0 0.0 3.25 566 421 A 28 ARG HDy A 28 ARG HBx 1.0 0.0 3.25 567 422 A 28 ARG HBx A 29 ILE HA 1.0 0.0 4.50 568 423 A 30 THR HG2% A 28 ARG HBx 1.0 0.0 3.42 569 424 A 28 ARG HBy A 28 ARG HDx 1.0 0.0 3.30 570 424 A 28 ARG HBy A 28 ARG HDy 1.0 0.0 3.30 571 425 A 28 ARG HBy A 29 ILE HA 1.0 0.0 5.90 572 426 A 28 ARG HBy A 39 VAL HA 1.0 0.0 4.86 573 427 A 30 THR HG2% A 28 ARG HDx 1.0 0.0 3.59 574 427 A 28 ARG HDy A 30 THR HG2% 1.0 0.0 3.59 575 428 A 37 LYS HA A 28 ARG HDx 1.0 0.0 4.76 576 428 A 28 ARG HDy A 37 LYS HA 1.0 0.0 4.76 577 429 A 28 ARG HGx A 29 ILE H 1.0 0.0 4.36 578 430 A 28 ARG HGx A 30 THR HG2% 1.0 0.0 4.53 579 431 A 38 ALA HA A 28 ARG HGx 1.0 0.0 5.10 580 432 A 28 ARG HGx A 39 VAL HA 1.0 0.0 3.76 581 433 A 39 VAL HGx% A 28 ARG HGx 1.0 0.0 3.74 582 434 A 28 ARG HGy A 29 ILE H 1.0 0.0 3.81 583 435 A 28 ARG HGy A 30 THR HG2% 1.0 0.0 3.67 584 436 A 38 ALA HA A 28 ARG HGy 1.0 0.0 4.64 585 437 A 28 ARG HGy A 38 ALA H 1.0 0.0 3.95 586 438 A 39 VAL HA A 28 ARG HGy 1.0 0.0 4.01 587 439 A 29 ILE HA A 29 ILE HG1x 1.0 0.0 3.89 588 440 A 29 ILE HG1y A 29 ILE HA 1.0 0.0 3.89 589 441 A 29 ILE HA A 29 ILE HG1x 1.0 0.0 3.35 590 441 A 29 ILE HG1y A 29 ILE HA 1.0 0.0 3.35 591 442 A 29 ILE HG2% A 29 ILE HA 1.0 0.0 3.07 592 443 A 40 ILE HD1% A 29 ILE HA 1.0 0.0 4.02 593 444 A 29 ILE HA A 40 ILE HG1x 1.0 0.0 5.00 594 444 A 29 ILE HA A 40 ILE HG1y 1.0 0.0 5.00 595 445 A 29 ILE HB A 29 ILE HD1% 1.0 0.0 3.04 596 446 A 29 ILE HB A 30 THR HA 1.0 0.0 4.83 597 447 A 29 ILE HB A 30 THR HG2% 1.0 0.0 5.17 598 448 A 29 ILE HB A 34 CYS HA 1.0 0.0 5.42 599 449 A 29 ILE HB A 37 LYS HA 1.0 0.0 4.78 600 450 A 29 ILE HB A 38 ALA H 1.0 0.0 4.29 601 451 A 40 ILE HD1% A 29 ILE HB 1.0 0.0 4.55 602 452 A 29 ILE HD1% A 34 CYS HA 1.0 0.0 4.87 603 453 A 29 ILE HD1% A 34 CYS HBx 1.0 0.0 4.70 604 454 A 29 ILE HD1% A 34 CYS HBy 1.0 0.0 4.70 605 455 A 29 ILE HD1% A 34 CYS HBx 1.0 0.0 3.84 606 455 A 29 ILE HD1% A 34 CYS HBy 1.0 0.0 3.84 607 456 A 29 ILE HD1% A 37 LYS HA 1.0 0.0 4.95 608 457 A 38 ALA HA A 29 ILE HD1% 1.0 0.0 5.21 609 458 A 38 ALA HB% A 29 ILE HD1% 1.0 0.0 2.85 610 459 A 39 VAL HA A 29 ILE HD1% 1.0 0.0 5.34 611 460 A 39 VAL HGy% A 29 ILE HD1% 1.0 0.0 5.44 612 461 A 50 CYS HA A 29 ILE HD1% 1.0 0.0 3.50 613 462 A 50 CYS HBx A 29 ILE HD1% 1.0 0.0 4.49 614 463 A 50 CYS HBy A 29 ILE HD1% 1.0 0.0 5.50 615 464 A 30 THR HA A 29 ILE HG1x 1.0 0.0 5.34 616 464 A 29 ILE HG1y A 30 THR HA 1.0 0.0 5.34 617 465 A 38 ALA HA A 29 ILE HG1x 1.0 0.0 4.34 618 465 A 38 ALA HA A 29 ILE HG1y 1.0 0.0 4.34 619 466 A 29 ILE HG1x A 40 ILE HG1x 1.0 0.0 4.49 620 466 A 29 ILE HG1y A 40 ILE HG1x 1.0 0.0 4.49 621 466 A 40 ILE HG1y A 29 ILE HG1x 1.0 0.0 4.49 622 466 A 29 ILE HG1y A 40 ILE HG1y 1.0 0.0 4.49 623 467 A 50 CYS HBx A 29 ILE HG1x 1.0 0.0 5.34 624 467 A 50 CYS HBx A 29 ILE HG1y 1.0 0.0 5.34 625 468 A 29 ILE HG2% A 29 ILE HD1% 1.0 0.0 2.70 626 469 A 29 ILE HG2% A 29 ILE HG1x 1.0 0.0 3.27 627 469 A 29 ILE HG2% A 29 ILE HG1y 1.0 0.0 3.27 628 470 A 29 ILE HG2% A 34 CYS HBx 1.0 0.0 4.47 629 471 A 29 ILE HG2% A 34 CYS HBy 1.0 0.0 4.47 630 472 A 29 ILE HG2% A 34 CYS HBx 1.0 0.0 3.69 631 472 A 29 ILE HG2% A 34 CYS HBy 1.0 0.0 3.69 632 473 A 29 ILE HG2% A 35 PRO HDx 1.0 0.0 5.08 633 473 A 29 ILE HG2% A 35 PRO HDy 1.0 0.0 5.08 634 474 A 29 ILE HG2% A 40 ILE HD1% 1.0 0.0 2.98 635 475 A 29 ILE HG2% A 40 ILE HG1x 1.0 0.0 4.19 636 475 A 29 ILE HG2% A 40 ILE HG1y 1.0 0.0 4.19 637 476 A 29 ILE HG2% A 40 ILE HG2% 1.0 0.0 4.68 638 477 A 29 ILE HB A 29 ILE H 1.0 0.0 3.40 639 478 A 29 ILE H A 29 ILE HG1x 1.0 0.0 3.79 640 479 A 29 ILE HG1y A 29 ILE H 1.0 0.0 3.79 641 480 A 29 ILE H A 38 ALA H 1.0 0.0 4.26 642 481 A 39 VAL HA A 29 ILE H 1.0 0.0 4.48 643 482 A 30 THR HA A 30 THR HB 1.0 0.0 2.68 644 483 A 30 THR HG2% A 30 THR HA 1.0 0.0 2.64 645 484 A 37 LYS HA A 30 THR HA 1.0 0.0 4.29 646 485 A 30 THR HB A 37 LYS HDx 1.0 0.0 4.49 647 485 A 30 THR HB A 37 LYS HDy 1.0 0.0 4.49 648 486 A 30 THR HG2% A 37 LYS HA 1.0 0.0 3.47 649 487 A 30 THR HG2% A 37 LYS HBx 1.0 0.0 3.72 650 487 A 30 THR HG2% A 37 LYS HBy 1.0 0.0 3.72 651 488 A 30 THR HG2% A 37 LYS HDx 1.0 0.0 3.58 652 488 A 30 THR HG2% A 37 LYS HDy 1.0 0.0 3.58 653 489 A 30 THR HG2% A 37 LYS HEx 1.0 0.0 3.80 654 489 A 30 THR HG2% A 37 LYS HEy 1.0 0.0 3.80 655 490 A 30 THR HG2% A 37 LYS HGx 1.0 0.0 5.12 656 491 A 30 THR HG2% A 37 LYS HGy 1.0 0.0 5.12 657 492 A 30 THR HG2% A 37 LYS HGx 1.0 0.0 4.44 658 492 A 30 THR HG2% A 37 LYS HGy 1.0 0.0 4.44 659 493 A 34 CYS HA A 35 PRO HBx 1.0 0.0 4.83 660 493 A 35 PRO HBy A 34 CYS HA 1.0 0.0 4.83 661 494 A 34 CYS HA A 35 PRO HDx 1.0 0.0 3.43 662 494 A 35 PRO HDy A 34 CYS HA 1.0 0.0 3.43 663 495 A 35 PRO HGx A 34 CYS HA 1.0 0.0 4.75 664 496 A 34 CYS HA A 35 PRO HGy 1.0 0.0 4.75 665 497 A 35 PRO HDy A 34 CYS HBx 1.0 0.0 3.75 666 497 A 34 CYS HBx A 35 PRO HDx 1.0 0.0 3.75 667 498 A 35 PRO HDy A 34 CYS HBy 1.0 0.0 3.75 668 498 A 34 CYS HBy A 35 PRO HDx 1.0 0.0 3.75 669 499 A 34 CYS HBx A 35 PRO HDx 1.0 0.0 3.28 670 499 A 35 PRO HDy A 34 CYS HBx 1.0 0.0 3.28 671 499 A 35 PRO HDy A 34 CYS HBy 1.0 0.0 3.28 672 499 A 34 CYS HBy A 35 PRO HDx 1.0 0.0 3.28 673 500 A 35 PRO HA A 36 GLN HBx 1.0 0.0 5.49 674 501 A 35 PRO HA A 36 GLN HGx 1.0 0.0 4.78 675 501 A 36 GLN HGy A 35 PRO HA 1.0 0.0 4.78 676 502 A 35 PRO HDy A 36 GLN HGx 1.0 0.0 5.25 677 502 A 35 PRO HDx A 36 GLN HGx 1.0 0.0 5.25 678 502 A 36 GLN HGy A 35 PRO HDx 1.0 0.0 5.25 679 502 A 35 PRO HDy A 36 GLN HGy 1.0 0.0 5.25 680 503 A 36 GLN HA A 36 GLN HGx 1.0 0.0 3.43 681 503 A 36 GLN HGy A 36 GLN HA 1.0 0.0 3.43 682 504 A 36 GLN HBx A 36 GLN HGx 1.0 0.0 2.71 683 504 A 36 GLN HGy A 36 GLN HBx 1.0 0.0 2.71 684 505 A 38 ALA HB% A 36 GLN HGx 1.0 0.0 3.97 685 505 A 36 GLN HGy A 38 ALA HB% 1.0 0.0 3.97 686 506 A 38 ALA HA A 37 LYS HA 1.0 0.0 4.51 687 507 A 37 LYS HA A 38 ALA H 1.0 0.0 3.16 688 508 A 37 LYS HBx A 37 LYS HEx 1.0 0.0 4.01 689 508 A 37 LYS HBy A 37 LYS HEx 1.0 0.0 4.01 690 508 A 37 LYS HEy A 37 LYS HBx 1.0 0.0 4.01 691 508 A 37 LYS HBy A 37 LYS HEy 1.0 0.0 4.01 692 509 A 38 ALA HA A 37 LYS HBx 1.0 0.0 4.73 693 509 A 38 ALA HA A 37 LYS HBy 1.0 0.0 4.73 694 510 A 38 ALA H A 37 LYS HBx 1.0 0.0 4.47 695 510 A 38 ALA H A 37 LYS HBy 1.0 0.0 4.47 696 511 A 38 ALA HA A 39 VAL HGx% 1.0 0.0 3.82 697 512 A 38 ALA HA A 39 VAL H 1.0 0.0 3.40 698 513 A 38 ALA HA A 53 PRO HGx 1.0 0.0 4.08 699 514 A 38 ALA HA A 53 PRO HGy 1.0 0.0 5.24 700 515 A 38 ALA HB% A 39 VAL H 1.0 0.0 3.06 701 516 A 38 ALA HB% A 40 ILE HG1x 1.0 0.0 5.20 702 516 A 38 ALA HB% A 40 ILE HG1y 1.0 0.0 5.20 703 517 A 50 CYS HBx A 38 ALA HB% 1.0 0.0 4.58 704 518 A 50 CYS HBy A 38 ALA HB% 1.0 0.0 5.50 705 519 A 38 ALA HB% A 51 ALA H 1.0 0.0 3.73 706 520 A 52 ASP HA A 38 ALA HB% 1.0 0.0 3.28 707 521 A 38 ALA HB% A 52 ASP HBx 1.0 0.0 4.50 708 522 A 52 ASP HBy A 38 ALA HB% 1.0 0.0 4.00 709 523 A 38 ALA HB% A 52 ASP HBx 1.0 0.0 3.45 710 523 A 52 ASP HBy A 38 ALA HB% 1.0 0.0 3.45 711 524 A 38 ALA HB% A 52 ASP H 1.0 0.0 3.99 712 525 A 38 ALA HB% A 53 PRO HDx 1.0 0.0 3.88 713 525 A 53 PRO HDy A 38 ALA HB% 1.0 0.0 3.88 714 526 A 38 ALA HB% A 38 ALA H 1.0 0.0 3.49 715 527 A 39 VAL HGx% A 39 VAL HA 1.0 0.0 3.27 716 528 A 39 VAL HGy% A 39 VAL HA 1.0 0.0 3.28 717 529 A 62 MET HE% A 39 VAL HA 1.0 0.0 4.94 718 530 A 39 VAL HB A 40 ILE H 1.0 0.0 3.48 719 531 A 41 PHE HD% A 39 VAL HB 1.0 0.0 5.11 720 532 A 39 VAL HB A 53 PRO HDx 1.0 0.0 5.31 721 532 A 53 PRO HDy A 39 VAL HB 1.0 0.0 5.31 722 533 A 39 VAL HB A 62 MET HBx 1.0 0.0 4.86 723 534 A 39 VAL HB A 62 MET HE% 1.0 0.0 3.78 724 535 A 39 VAL HGx% A 53 PRO HGx 1.0 0.0 3.38 725 536 A 39 VAL HGx% A 62 MET HE% 1.0 0.0 2.58 726 537 A 39 VAL HGy% A 40 ILE H 1.0 0.0 4.27 727 538 A 41 PHE HA A 39 VAL HGy% 1.0 0.0 4.97 728 539 A 50 CYS HA A 39 VAL HGy% 1.0 0.0 5.39 729 540 A 51 ALA HB% A 39 VAL HGy% 1.0 0.0 3.31 730 541 A 39 VAL HGy% A 53 PRO HA 1.0 0.0 4.21 731 542 A 39 VAL HGy% A 53 PRO HBx 1.0 0.0 4.23 732 542 A 39 VAL HGy% A 53 PRO HBy 1.0 0.0 4.23 733 543 A 39 VAL HGy% A 53 PRO HGx 1.0 0.0 4.83 734 544 A 39 VAL HGy% A 58 VAL HGx% 1.0 0.0 2.82 735 545 A 39 VAL HGy% A 58 VAL HGy% 1.0 0.0 4.23 736 546 A 39 VAL HGy% A 62 MET HBx 1.0 0.0 4.10 737 547 A 39 VAL HGy% A 62 MET HE% 1.0 0.0 3.02 738 548 A 39 VAL HGy% A 62 MET HGx 1.0 0.0 5.70 739 549 A 39 VAL HGy% A 62 MET HGy 1.0 0.0 4.19 740 550 A 39 VAL HGx% A 39 VAL H 1.0 0.0 3.87 741 551 A 39 VAL H A 51 ALA H 1.0 0.0 4.53 742 552 A 39 VAL H A 53 PRO HDx 1.0 0.0 4.02 743 552 A 53 PRO HDy A 39 VAL H 1.0 0.0 4.02 744 553 A 40 ILE HD1% A 40 ILE HA 1.0 0.0 4.03 745 554 A 40 ILE HA A 40 ILE HG1x 1.0 0.0 4.14 746 555 A 40 ILE HG1y A 40 ILE HA 1.0 0.0 4.14 747 556 A 40 ILE HA A 40 ILE HG1x 1.0 0.0 3.45 748 556 A 40 ILE HG1y A 40 ILE HA 1.0 0.0 3.45 749 557 A 40 ILE HG2% A 40 ILE HA 1.0 0.0 3.04 750 558 A 40 ILE HA A 41 PHE H 1.0 0.0 3.19 751 559 A 50 CYS HA A 40 ILE HA 1.0 0.0 3.26 752 560 A 51 ALA HB% A 40 ILE HA 1.0 0.0 4.25 753 561 A 51 ALA H A 40 ILE HA 1.0 0.0 3.98 754 562 A 40 ILE HD1% A 40 ILE HB 1.0 0.0 2.87 755 563 A 40 ILE HB A 48 ASP HBy 1.0 0.0 4.62 756 563 A 40 ILE HB A 48 ASP HBx 1.0 0.0 4.62 757 564 A 40 ILE HD1% A 48 ASP HBy 1.0 0.0 4.62 758 565 A 40 ILE HD1% A 48 ASP HBx 1.0 0.0 4.62 759 566 A 40 ILE HD1% A 48 ASP HBy 1.0 0.0 4.01 760 566 A 40 ILE HD1% A 48 ASP HBx 1.0 0.0 4.01 761 567 A 50 CYS HBx A 40 ILE HD1% 1.0 0.0 5.00 762 568 A 50 CYS HA A 40 ILE HG1x 1.0 0.0 4.25 763 569 A 50 CYS HA A 40 ILE HG1y 1.0 0.0 4.25 764 570 A 50 CYS HA A 40 ILE HG1x 1.0 0.0 3.71 765 570 A 50 CYS HA A 40 ILE HG1y 1.0 0.0 3.71 766 571 A 40 ILE HG2% A 40 ILE HG1x 1.0 0.0 3.38 767 572 A 40 ILE HG2% A 40 ILE HG1y 1.0 0.0 3.38 768 573 A 40 ILE HG2% A 40 ILE HG1x 1.0 0.0 2.94 769 573 A 40 ILE HG2% A 40 ILE HG1y 1.0 0.0 2.94 770 574 A 40 ILE HG2% A 41 PHE H 1.0 0.0 3.64 771 575 A 40 ILE HG2% A 42 LYS HA 1.0 0.0 4.31 772 576 A 40 ILE HG2% A 42 LYS HBy 1.0 0.0 4.69 773 576 A 40 ILE HG2% A 42 LYS HBx 1.0 0.0 4.69 774 577 A 40 ILE HG2% A 42 LYS HEx 1.0 0.0 4.36 775 577 A 42 LYS HEy A 40 ILE HG2% 1.0 0.0 4.36 776 578 A 40 ILE HG2% A 48 ASP HA 1.0 0.0 3.52 777 579 A 40 ILE HG2% A 48 ASP HBy 1.0 0.0 3.44 778 580 A 40 ILE HG2% A 48 ASP HBx 1.0 0.0 3.44 779 581 A 40 ILE HG2% A 48 ASP HBy 1.0 0.0 2.96 780 581 A 40 ILE HG2% A 48 ASP HBx 1.0 0.0 2.96 781 582 A 40 ILE HG2% A 49 ILE HA 1.0 0.0 4.57 782 583 A 49 ILE HB A 40 ILE HG2% 1.0 0.0 4.30 783 584 A 40 ILE HG2% A 49 ILE H 1.0 0.0 3.76 784 585 A 50 CYS HA A 40 ILE HG2% 1.0 0.0 3.83 785 586 A 40 ILE H A 40 ILE HB 1.0 0.0 3.48 786 587 A 40 ILE HG2% A 40 ILE H 1.0 0.0 4.10 787 588 A 41 PHE HD% A 41 PHE HA 1.0 0.0 3.21 788 589 A 41 PHE HA A 41 PHE HE% 1.0 0.0 4.51 789 590 A 41 PHE HA A 42 LYS H 1.0 0.0 3.13 790 591 A 49 ILE HB A 41 PHE HA 1.0 0.0 5.31 791 592 A 65 LEU HDx% A 41 PHE HA 1.0 0.0 4.81 792 593 A 41 PHE HBx A 42 LYS H 1.0 0.0 4.24 793 594 A 43 THR HG2% A 41 PHE HBx 1.0 0.0 3.87 794 595 A 49 ILE HG2% A 41 PHE HBx 1.0 0.0 5.50 795 596 A 41 PHE HBx A 65 LEU HDx% 1.0 0.0 4.67 796 597 A 41 PHE HBy A 42 LYS H 1.0 0.0 4.73 797 598 A 43 THR HG2% A 41 PHE HBy 1.0 0.0 4.06 798 599 A 49 ILE HG2% A 41 PHE HBy 1.0 0.0 4.21 799 600 A 41 PHE HD% A 42 LYS H 1.0 0.0 4.81 800 601 A 49 ILE HB A 41 PHE HD% 1.0 0.0 4.36 801 602 A 51 ALA HB% A 41 PHE HD% 1.0 0.0 3.08 802 603 A 41 PHE HD% A 58 VAL HGx% 1.0 0.0 4.71 803 604 A 41 PHE HD% A 58 VAL HGy% 1.0 0.0 4.65 804 605 A 41 PHE HD% A 61 SER HBx 1.0 0.0 4.29 805 605 A 61 SER HBy A 41 PHE HD% 1.0 0.0 4.29 806 606 A 41 PHE HD% A 62 MET HA 1.0 0.0 4.70 807 607 A 41 PHE HD% A 62 MET HE% 1.0 0.0 5.43 808 608 A 41 PHE HD% A 62 MET HGy 1.0 0.0 5.83 809 609 A 41 PHE HD% A 65 LEU HDx% 1.0 0.0 3.46 810 610 A 41 PHE HD% A 65 LEU HDy% 1.0 0.0 5.50 811 611 A 49 ILE HG2% A 41 PHE HE% 1.0 0.0 5.50 812 612 A 51 ALA HB% A 41 PHE HE% 1.0 0.0 3.06 813 613 A 41 PHE HE% A 58 VAL HA 1.0 0.0 3.96 814 614 A 58 VAL HGx% A 41 PHE HE% 1.0 0.0 3.09 815 615 A 58 VAL HGy% A 41 PHE HE% 1.0 0.0 3.45 816 616 A 41 PHE HE% A 61 SER HBx 1.0 0.0 4.24 817 616 A 61 SER HBy A 41 PHE HE% 1.0 0.0 4.24 818 617 A 62 MET HA A 41 PHE HE% 1.0 0.0 3.32 819 618 A 62 MET HGx A 41 PHE HE% 1.0 0.0 4.71 820 619 A 62 MET HGy A 41 PHE HE% 1.0 0.0 4.03 821 620 A 65 LEU HDx% A 41 PHE HE% 1.0 0.0 3.35 822 621 A 41 PHE HBx A 41 PHE H 1.0 0.0 4.03 823 622 A 41 PHE HBy A 41 PHE H 1.0 0.0 3.58 824 623 A 41 PHE HD% A 41 PHE H 1.0 0.0 4.00 825 624 A 41 PHE H A 49 ILE H 1.0 0.0 4.11 826 625 A 42 LYS HA A 42 LYS HDx 1.0 0.0 4.65 827 625 A 42 LYS HDy A 42 LYS HA 1.0 0.0 4.65 828 626 A 42 LYS HA A 42 LYS HEx 1.0 0.0 4.52 829 626 A 42 LYS HEy A 42 LYS HA 1.0 0.0 4.52 830 627 A 42 LYS HA A 42 LYS HGx 1.0 0.0 4.16 831 628 A 42 LYS HGy A 42 LYS HA 1.0 0.0 4.16 832 629 A 42 LYS HA A 42 LYS HGx 1.0 0.0 3.47 833 629 A 42 LYS HGy A 42 LYS HA 1.0 0.0 3.47 834 630 A 43 THR HG2% A 42 LYS HA 1.0 0.0 3.88 835 631 A 42 LYS HA A 43 THR H 1.0 0.0 3.16 836 632 A 42 LYS HA A 48 ASP HA 1.0 0.0 3.30 837 633 A 49 ILE HB A 42 LYS HA 1.0 0.0 5.50 838 634 A 42 LYS HA A 49 ILE HG1x 1.0 0.0 4.99 839 634 A 49 ILE HG1y A 42 LYS HA 1.0 0.0 4.99 840 635 A 42 LYS HEy A 42 LYS HBy 1.0 0.0 3.56 841 635 A 42 LYS HBy A 42 LYS HEx 1.0 0.0 3.56 842 636 A 48 ASP HA A 42 LYS HBy 1.0 0.0 4.88 843 637 A 42 LYS HEy A 42 LYS HBx 1.0 0.0 3.56 844 637 A 42 LYS HBx A 42 LYS HEx 1.0 0.0 3.56 845 638 A 42 LYS HBx A 48 ASP HA 1.0 0.0 4.88 846 639 A 42 LYS HBy A 42 LYS HDx 1.0 0.0 3.03 847 639 A 42 LYS HBx A 42 LYS HDx 1.0 0.0 3.03 848 639 A 42 LYS HDy A 42 LYS HBy 1.0 0.0 3.03 849 639 A 42 LYS HDy A 42 LYS HBx 1.0 0.0 3.03 850 640 A 42 LYS HBx A 42 LYS HEx 1.0 0.0 3.11 851 640 A 42 LYS HBy A 42 LYS HEx 1.0 0.0 3.11 852 640 A 42 LYS HEy A 42 LYS HBy 1.0 0.0 3.11 853 640 A 42 LYS HEy A 42 LYS HBx 1.0 0.0 3.11 854 641 A 43 THR H A 42 LYS HBy 1.0 0.0 3.98 855 641 A 42 LYS HBx A 43 THR H 1.0 0.0 3.98 856 642 A 48 ASP HA A 42 LYS HBy 1.0 0.0 4.10 857 642 A 42 LYS HBx A 48 ASP HA 1.0 0.0 4.10 858 643 A 42 LYS HBx A 48 ASP HBy 1.0 0.0 4.40 859 643 A 42 LYS HBy A 48 ASP HBy 1.0 0.0 4.40 860 643 A 48 ASP HBx A 42 LYS HBy 1.0 0.0 4.40 861 643 A 48 ASP HBx A 42 LYS HBx 1.0 0.0 4.40 862 644 A 42 LYS HDy A 42 LYS HEx 1.0 0.0 2.71 863 644 A 42 LYS HDx A 42 LYS HEx 1.0 0.0 2.71 864 644 A 42 LYS HEy A 42 LYS HDx 1.0 0.0 2.71 865 644 A 42 LYS HEy A 42 LYS HDy 1.0 0.0 2.71 866 645 A 48 ASP HA A 42 LYS HEx 1.0 0.0 5.50 867 645 A 42 LYS HEy A 48 ASP HA 1.0 0.0 5.50 868 646 A 42 LYS HEx A 42 LYS HGx 1.0 0.0 3.28 869 646 A 42 LYS HEy A 42 LYS HGx 1.0 0.0 3.28 870 646 A 42 LYS HGy A 42 LYS HEx 1.0 0.0 3.28 871 646 A 42 LYS HEy A 42 LYS HGy 1.0 0.0 3.28 872 647 A 43 THR H A 42 LYS HGx 1.0 0.0 4.93 873 647 A 42 LYS HGy A 43 THR H 1.0 0.0 4.93 874 648 A 42 LYS H A 42 LYS HBy 1.0 0.0 3.91 875 649 A 42 LYS H A 42 LYS HBx 1.0 0.0 3.91 876 650 A 42 LYS H A 42 LYS HBy 1.0 0.0 3.41 877 650 A 42 LYS H A 42 LYS HBx 1.0 0.0 3.41 878 651 A 42 LYS H A 42 LYS HGx 1.0 0.0 3.91 879 652 A 42 LYS H A 42 LYS HGy 1.0 0.0 3.91 880 653 A 43 THR HA A 43 THR HB 1.0 0.0 2.82 881 654 A 43 THR HA A 43 THR HG2% 1.0 0.0 3.21 882 655 A 43 THR HA A 44 LYS H 1.0 0.0 3.41 883 656 A 43 THR HB A 44 LYS H 1.0 0.0 3.43 884 657 A 43 THR HB A 45 LEU HDy% 1.0 0.0 5.31 885 658 A 43 THR HG2% A 45 LEU HBx 1.0 0.0 4.95 886 659 A 43 THR HG2% A 45 LEU HBy 1.0 0.0 4.23 887 660 A 43 THR HG2% A 45 LEU HDx% 1.0 0.0 4.98 888 661 A 43 THR HG2% A 45 LEU HDy% 1.0 0.0 4.06 889 662 A 43 THR HG2% A 48 ASP HA 1.0 0.0 5.02 890 663 A 43 THR HG2% A 49 ILE HB 1.0 0.0 4.41 891 664 A 49 ILE HG2% A 43 THR HG2% 1.0 0.0 4.46 892 665 A 43 THR HG2% A 43 THR H 1.0 0.0 3.35 893 666 A 44 LYS H A 43 THR H 1.0 0.0 4.58 894 667 A 44 LYS HBx A 44 LYS HEy 1.0 0.0 3.74 895 667 A 44 LYS HBy A 44 LYS HEy 1.0 0.0 3.74 896 667 A 44 LYS HEx A 44 LYS HBx 1.0 0.0 3.74 897 667 A 44 LYS HBy A 44 LYS HEx 1.0 0.0 3.74 898 668 A 44 LYS H A 44 LYS HBx 1.0 0.0 3.92 899 669 A 44 LYS H A 44 LYS HBy 1.0 0.0 3.92 900 670 A 44 LYS H A 44 LYS HBx 1.0 0.0 3.40 901 670 A 44 LYS H A 44 LYS HBy 1.0 0.0 3.40 902 671 A 45 LEU HBx A 45 LEU HA 1.0 0.0 2.80 903 672 A 45 LEU HDx% A 45 LEU HA 1.0 0.0 3.56 904 673 A 45 LEU HDy% A 45 LEU HA 1.0 0.0 2.62 905 674 A 45 LEU HA A 46 ALA HB% 1.0 0.0 4.30 906 675 A 45 LEU HDx% A 45 LEU HBx 1.0 0.0 3.19 907 676 A 45 LEU HDy% A 45 LEU HBx 1.0 0.0 3.24 908 677 A 45 LEU HBx A 46 ALA HB% 1.0 0.0 4.17 909 678 A 45 LEU HBx A 47 LYS HEx 1.0 0.0 3.94 910 678 A 45 LEU HBx A 47 LYS HEy 1.0 0.0 3.94 911 679 A 45 LEU HBx A 47 LYS HGx 1.0 0.0 5.19 912 679 A 45 LEU HBx A 47 LYS HGy 1.0 0.0 5.19 913 680 A 45 LEU HDx% A 45 LEU HBy 1.0 0.0 3.36 914 681 A 45 LEU HDy% A 45 LEU HBy 1.0 0.0 2.74 915 682 A 45 LEU HDx% A 46 ALA HB% 1.0 0.0 4.08 916 683 A 45 LEU HDy% A 47 LYS HEx 1.0 0.0 4.97 917 683 A 45 LEU HDy% A 47 LYS HEy 1.0 0.0 4.97 918 684 A 46 ALA HA A 47 LYS HBx 1.0 0.0 5.19 919 684 A 46 ALA HA A 47 LYS HBy 1.0 0.0 5.19 920 685 A 46 ALA HB% B 223 LEU HA 1.0 0.0 4.77 921 686 A 46 ALA HB% B 223 LEU HDx% 1.0 0.0 3.90 922 686 A 46 ALA HB% B 223 LEU HDy% 1.0 0.0 3.90 923 687 A 46 ALA HB% A 47 LYS HBx 1.0 0.0 3.90 924 687 A 46 ALA HB% A 47 LYS HBy 1.0 0.0 3.90 925 688 A 46 ALA HB% A 47 LYS HEx 1.0 0.0 3.89 926 688 A 46 ALA HB% A 47 LYS HEy 1.0 0.0 3.89 927 689 A 46 ALA HB% A 47 LYS H 1.0 0.0 4.04 928 690 A 46 ALA HB% A 46 ALA H 1.0 0.0 3.58 929 691 A 47 LYS H A 46 ALA H 1.0 0.0 3.81 930 692 A 47 LYS HA A 47 LYS HGx 1.0 0.0 3.74 931 692 A 47 LYS HGy A 47 LYS HA 1.0 0.0 3.74 932 693 A 47 LYS HA A 48 ASP H 1.0 0.0 3.29 933 694 A 48 ASP HA A 47 LYS HBx 1.0 0.0 5.22 934 694 A 48 ASP HA A 47 LYS HBy 1.0 0.0 5.22 935 695 A 48 ASP H A 47 LYS HBx 1.0 0.0 3.79 936 695 A 47 LYS HBy A 48 ASP H 1.0 0.0 3.79 937 696 A 48 ASP HA A 47 LYS HDx 1.0 0.0 4.49 938 696 A 48 ASP HA A 47 LYS HDy 1.0 0.0 4.49 939 697 A 47 LYS HEy B 223 LEU HDx% 1.0 0.0 5.24 940 697 A 47 LYS HEx B 223 LEU HDx% 1.0 0.0 5.24 941 697 B 223 LEU HDy% A 47 LYS HEx 1.0 0.0 5.24 942 697 A 47 LYS HEy B 223 LEU HDy% 1.0 0.0 5.24 943 698 A 47 LYS HDy A 47 LYS HGx 1.0 0.0 2.41 944 698 A 47 LYS HDx A 47 LYS HGx 1.0 0.0 2.41 945 698 A 47 LYS HGy A 47 LYS HDx 1.0 0.0 2.41 946 698 A 47 LYS HGy A 47 LYS HDy 1.0 0.0 2.41 947 699 A 47 LYS HEy A 47 LYS HGx 1.0 0.0 3.02 948 699 A 47 LYS HEx A 47 LYS HGx 1.0 0.0 3.02 949 699 A 47 LYS HGy A 47 LYS HEx 1.0 0.0 3.02 950 699 A 47 LYS HEy A 47 LYS HGy 1.0 0.0 3.02 951 700 A 47 LYS H A 47 LYS HBx 1.0 0.0 3.49 952 700 A 47 LYS HBy A 47 LYS H 1.0 0.0 3.49 953 701 A 47 LYS H A 47 LYS HGx 1.0 0.0 3.66 954 701 A 47 LYS HGy A 47 LYS H 1.0 0.0 3.66 955 702 A 48 ASP HA A 49 ILE HG1x 1.0 0.0 4.13 956 702 A 49 ILE HG1y A 48 ASP HA 1.0 0.0 4.13 957 703 A 48 ASP HA A 49 ILE H 1.0 0.0 3.39 958 704 A 49 ILE HA A 48 ASP HBy 1.0 0.0 4.46 959 704 A 48 ASP HBx A 49 ILE HA 1.0 0.0 4.46 960 705 A 48 ASP HBy A 49 ILE HG1x 1.0 0.0 5.00 961 705 A 49 ILE HG1y A 48 ASP HBy 1.0 0.0 5.00 962 705 A 49 ILE HG1y A 48 ASP HBx 1.0 0.0 5.00 963 705 A 48 ASP HBx A 49 ILE HG1x 1.0 0.0 5.00 964 706 A 48 ASP H A 48 ASP HBy 1.0 0.0 3.54 965 706 A 48 ASP HBx A 48 ASP H 1.0 0.0 3.54 966 707 A 49 ILE HA A 49 ILE HD1% 1.0 0.0 3.86 967 708 A 49 ILE HA A 49 ILE HG1x 1.0 0.0 3.67 968 708 A 49 ILE HG1y A 49 ILE HA 1.0 0.0 3.67 969 709 A 49 ILE HG2% A 49 ILE HA 1.0 0.0 3.13 970 710 A 49 ILE HG2% A 49 ILE HG1x 1.0 0.0 3.39 971 711 A 49 ILE HG2% A 49 ILE HG1y 1.0 0.0 3.39 972 712 A 49 ILE HG2% A 50 CYS H 1.0 0.0 4.20 973 713 A 49 ILE HB A 49 ILE H 1.0 0.0 3.79 974 714 A 49 ILE H A 49 ILE HG1x 1.0 0.0 4.25 975 715 A 49 ILE H A 49 ILE HG1x 1.0 0.0 3.71 976 715 A 49 ILE HG1y A 49 ILE H 1.0 0.0 3.71 977 716 A 50 CYS HA A 51 ALA HB% 1.0 0.0 3.92 978 717 A 50 CYS HA A 51 ALA H 1.0 0.0 3.42 979 718 A 50 CYS HBx A 51 ALA HA 1.0 0.0 5.03 980 719 A 50 CYS HBy A 51 ALA HA 1.0 0.0 4.65 981 720 A 50 CYS HBy A 51 ALA HB% 1.0 0.0 5.50 982 721 A 50 CYS HBx A 50 CYS H 1.0 0.0 4.10 983 722 A 51 ALA HA A 52 ASP HBx 1.0 0.0 5.12 984 722 A 51 ALA HA A 52 ASP HBy 1.0 0.0 5.12 985 723 A 51 ALA HA A 52 ASP H 1.0 0.0 3.34 986 724 A 51 ALA HA A 55 LYS HDx 1.0 0.0 4.30 987 724 A 51 ALA HA A 55 LYS HDy 1.0 0.0 4.30 988 725 A 51 ALA HA A 58 VAL HGx% 1.0 0.0 5.20 989 726 A 51 ALA HA A 58 VAL HGy% 1.0 0.0 5.20 990 727 A 51 ALA HB% A 52 ASP H 1.0 0.0 4.21 991 728 A 51 ALA HB% A 53 PRO HA 1.0 0.0 5.28 992 729 A 51 ALA HB% A 57 TRP HZ3 1.0 0.0 4.90 993 730 A 51 ALA HB% A 58 VAL HA 1.0 0.0 4.96 994 731 A 51 ALA HB% A 58 VAL HGx% 1.0 0.0 3.10 995 732 A 51 ALA HB% A 58 VAL HGy% 1.0 0.0 3.10 996 733 A 51 ALA HB% A 62 MET HE% 1.0 0.0 5.20 997 734 A 51 ALA HB% A 51 ALA H 1.0 0.0 4.00 998 735 A 52 ASP HA A 58 VAL HGy% 1.0 0.0 5.31 999 736 A 52 ASP HBx A 53 PRO HDx 1.0 0.0 4.30 1000 736 A 53 PRO HDy A 52 ASP HBx 1.0 0.0 4.30 1001 736 A 52 ASP HBy A 53 PRO HDy 1.0 0.0 4.30 1002 736 A 52 ASP HBy A 53 PRO HDx 1.0 0.0 4.30 1003 737 A 52 ASP HBx A 54 LYS HBx 1.0 0.0 5.20 1004 737 A 54 LYS HBy A 52 ASP HBx 1.0 0.0 5.20 1005 737 A 52 ASP HBy A 54 LYS HBy 1.0 0.0 5.20 1006 737 A 52 ASP HBy A 54 LYS HBx 1.0 0.0 5.20 1007 738 A 52 ASP HBx A 55 LYS HDx 1.0 0.0 3.91 1008 738 A 52 ASP HBy A 55 LYS HDx 1.0 0.0 3.91 1009 738 A 55 LYS HDy A 52 ASP HBx 1.0 0.0 3.91 1010 738 A 55 LYS HDy A 52 ASP HBy 1.0 0.0 3.91 1011 739 A 52 ASP HBy A 55 LYS HEx 1.0 0.0 4.96 1012 739 A 55 LYS HEy A 52 ASP HBx 1.0 0.0 4.96 1013 739 A 52 ASP HBy A 55 LYS HEy 1.0 0.0 4.96 1014 739 A 52 ASP HBx A 55 LYS HEx 1.0 0.0 4.96 1015 740 A 55 LYS HGx A 52 ASP HBx 1.0 0.0 4.13 1016 740 A 52 ASP HBy A 55 LYS HGx 1.0 0.0 4.13 1017 741 A 55 LYS HGy A 52 ASP HBx 1.0 0.0 3.84 1018 741 A 52 ASP HBy A 55 LYS HGy 1.0 0.0 3.84 1019 742 A 58 VAL HGy% A 52 ASP HBx 1.0 0.0 5.22 1020 742 A 52 ASP HBy A 58 VAL HGy% 1.0 0.0 5.22 1021 743 A 52 ASP H A 52 ASP HBx 1.0 0.0 3.63 1022 744 A 52 ASP HBy A 52 ASP H 1.0 0.0 3.63 1023 745 A 53 PRO HA A 58 VAL HGx% 1.0 0.0 2.69 1024 746 A 53 PRO HA A 59 GLN HBx 1.0 0.0 4.87 1025 746 A 53 PRO HA A 59 GLN HBy 1.0 0.0 4.87 1026 747 A 53 PRO HA A 59 GLN HGy 1.0 0.0 4.09 1027 748 A 62 MET HE% A 53 PRO HA 1.0 0.0 3.90 1028 749 A 54 LYS HA A 53 PRO HBx 1.0 0.0 4.47 1029 749 A 53 PRO HBy A 54 LYS HA 1.0 0.0 4.47 1030 750 A 54 LYS H A 53 PRO HBx 1.0 0.0 4.02 1031 750 A 53 PRO HBy A 54 LYS H 1.0 0.0 4.02 1032 751 A 62 MET HE% A 53 PRO HBx 1.0 0.0 3.20 1033 751 A 62 MET HE% A 53 PRO HBy 1.0 0.0 3.20 1034 752 A 53 PRO HGy A 54 LYS HEx 1.0 0.0 3.80 1035 752 A 53 PRO HGy A 54 LYS HEy 1.0 0.0 3.80 1036 753 A 54 LYS HA A 54 LYS HBx 1.0 0.0 2.75 1037 753 A 54 LYS HBy A 54 LYS HA 1.0 0.0 2.75 1038 754 A 54 LYS HA A 54 LYS HGx 1.0 0.0 3.06 1039 754 A 54 LYS HA A 54 LYS HGy 1.0 0.0 3.06 1040 755 A 54 LYS HA A 55 LYS HA 1.0 0.0 5.17 1041 756 A 58 VAL HGx% A 54 LYS HA 1.0 0.0 5.50 1042 757 A 54 LYS HA A 59 GLN HGx 1.0 0.0 4.33 1043 758 A 54 LYS HBy A 54 LYS HEx 1.0 0.0 3.96 1044 758 A 54 LYS HBx A 54 LYS HEx 1.0 0.0 3.96 1045 758 A 54 LYS HEy A 54 LYS HBx 1.0 0.0 3.96 1046 758 A 54 LYS HBy A 54 LYS HEy 1.0 0.0 3.96 1047 759 A 54 LYS HBy A 54 LYS HGx 1.0 0.0 2.61 1048 759 A 54 LYS HBx A 54 LYS HGx 1.0 0.0 2.61 1049 759 A 54 LYS HGy A 54 LYS HBx 1.0 0.0 2.61 1050 759 A 54 LYS HBy A 54 LYS HGy 1.0 0.0 2.61 1051 760 A 55 LYS H A 54 LYS HBx 1.0 0.0 3.52 1052 760 A 54 LYS HBy A 55 LYS H 1.0 0.0 3.52 1053 761 A 59 GLN HGy A 54 LYS HBx 1.0 0.0 5.49 1054 761 A 54 LYS HBy A 59 GLN HGy 1.0 0.0 5.49 1055 762 A 54 LYS HDy A 54 LYS HEx 1.0 0.0 2.82 1056 762 A 54 LYS HDx A 54 LYS HEx 1.0 0.0 2.82 1057 762 A 54 LYS HEy A 54 LYS HDx 1.0 0.0 2.82 1058 762 A 54 LYS HEy A 54 LYS HDy 1.0 0.0 2.82 1059 763 A 54 LYS HEx A 54 LYS HGx 1.0 0.0 2.68 1060 763 A 54 LYS HEy A 54 LYS HGx 1.0 0.0 2.68 1061 763 A 54 LYS HGy A 54 LYS HEx 1.0 0.0 2.68 1062 763 A 54 LYS HEy A 54 LYS HGy 1.0 0.0 2.68 1063 764 A 54 LYS H A 54 LYS HBx 1.0 0.0 3.06 1064 764 A 54 LYS HBy A 54 LYS H 1.0 0.0 3.06 1065 765 A 54 LYS H A 54 LYS HGx 1.0 0.0 4.57 1066 765 A 54 LYS H A 54 LYS HGy 1.0 0.0 4.57 1067 766 A 54 LYS H A 55 LYS HBx 1.0 0.0 5.00 1068 767 A 54 LYS H A 55 LYS H 1.0 0.0 3.24 1069 768 A 55 LYS HA A 55 LYS HBy 1.0 0.0 2.86 1070 769 A 55 LYS HGy A 55 LYS HA 1.0 0.0 3.12 1071 770 A 55 LYS HA A 56 LYS HA 1.0 0.0 5.14 1072 771 A 58 VAL HGy% A 55 LYS HA 1.0 0.0 4.60 1073 772 A 55 LYS HBy A 55 LYS HEx 1.0 0.0 4.51 1074 772 A 55 LYS HEy A 55 LYS HBy 1.0 0.0 4.51 1075 773 A 55 LYS HBx A 56 LYS HA 1.0 0.0 5.44 1076 774 A 58 VAL HGy% A 55 LYS HBx 1.0 0.0 3.32 1077 775 A 58 VAL HGy% A 55 LYS HDx 1.0 0.0 3.66 1078 775 A 55 LYS HDy A 58 VAL HGy% 1.0 0.0 3.66 1079 776 A 58 VAL HGy% A 55 LYS HEx 1.0 0.0 4.90 1080 777 A 55 LYS HEy A 58 VAL HGy% 1.0 0.0 4.90 1081 778 A 58 VAL HGy% A 55 LYS HEx 1.0 0.0 4.16 1082 778 A 55 LYS HEy A 58 VAL HGy% 1.0 0.0 4.16 1083 779 A 55 LYS HGx A 55 LYS HDx 1.0 0.0 2.87 1084 779 A 55 LYS HDy A 55 LYS HGx 1.0 0.0 2.87 1085 780 A 58 VAL HA A 55 LYS HGx 1.0 0.0 5.87 1086 781 A 58 VAL HGy% A 55 LYS HGx 1.0 0.0 3.07 1087 782 A 55 LYS HGx A 55 LYS H 1.0 0.0 3.04 1088 783 A 55 LYS HGy A 55 LYS H 1.0 0.0 3.50 1089 784 A 55 LYS H A 58 VAL HB 1.0 0.0 4.00 1090 785 A 58 VAL HGy% A 55 LYS H 1.0 0.0 3.92 1091 786 A 56 LYS HA A 56 LYS HBx 1.0 0.0 2.90 1092 786 A 56 LYS HA A 56 LYS HBy 1.0 0.0 2.90 1093 787 A 56 LYS HA A 56 LYS HGx 1.0 0.0 3.50 1094 787 A 56 LYS HA A 56 LYS HGy 1.0 0.0 3.50 1095 788 A 56 LYS HA A 59 GLN HBx 1.0 0.0 3.90 1096 788 A 59 GLN HBy A 56 LYS HA 1.0 0.0 3.90 1097 789 A 59 GLN HGx A 56 LYS HA 1.0 0.0 3.76 1098 790 A 59 GLN HGy A 56 LYS HA 1.0 0.0 4.54 1099 791 A 56 LYS HA A 60 ASP HBx 1.0 0.0 5.50 1100 792 A 56 LYS HA A 60 ASP H 1.0 0.0 4.88 1101 793 A 56 LYS HBy A 57 TRP HBy 1.0 0.0 5.01 1102 793 A 56 LYS HBx A 57 TRP HBy 1.0 0.0 5.01 1103 793 A 57 TRP HBx A 56 LYS HBx 1.0 0.0 5.01 1104 793 A 57 TRP HBx A 56 LYS HBy 1.0 0.0 5.01 1105 794 A 60 ASP HBy A 56 LYS HDy 1.0 0.0 5.28 1106 794 A 56 LYS HDx A 60 ASP HBy 1.0 0.0 5.28 1107 795 A 60 ASP HBx A 56 LYS HDy 1.0 0.0 4.32 1108 795 A 60 ASP HBx A 56 LYS HDx 1.0 0.0 4.32 1109 796 A 56 LYS HDx A 56 LYS HGx 1.0 0.0 2.31 1110 796 A 56 LYS HDy A 56 LYS HGx 1.0 0.0 2.31 1111 796 A 56 LYS HGy A 56 LYS HDy 1.0 0.0 2.31 1112 796 A 56 LYS HGy A 56 LYS HDx 1.0 0.0 2.31 1113 797 A 56 LYS HEx A 56 LYS HGx 1.0 0.0 3.05 1114 797 A 56 LYS HEy A 56 LYS HGx 1.0 0.0 3.05 1115 797 A 56 LYS HGy A 56 LYS HEx 1.0 0.0 3.05 1116 797 A 56 LYS HGy A 56 LYS HEy 1.0 0.0 3.05 1117 798 A 57 TRP HA A 56 LYS HGx 1.0 0.0 4.43 1118 798 A 57 TRP HA A 56 LYS HGy 1.0 0.0 4.43 1119 799 A 56 LYS HGy A 59 GLN HBx 1.0 0.0 4.83 1120 799 A 56 LYS HGx A 59 GLN HBx 1.0 0.0 4.83 1121 799 A 59 GLN HBy A 56 LYS HGx 1.0 0.0 4.83 1122 799 A 59 GLN HBy A 56 LYS HGy 1.0 0.0 4.83 1123 800 A 59 GLN HGx A 56 LYS HGx 1.0 0.0 4.81 1124 800 A 59 GLN HGx A 56 LYS HGy 1.0 0.0 4.81 1125 801 A 57 TRP HBx A 57 TRP HA 1.0 0.0 2.94 1126 802 A 57 TRP HA A 57 TRP HBy 1.0 0.0 2.94 1127 803 A 57 TRP HA A 57 TRP HBy 1.0 0.0 2.57 1128 803 A 57 TRP HBx A 57 TRP HA 1.0 0.0 2.57 1129 804 A 57 TRP HA A 58 VAL HGy% 1.0 0.0 5.43 1130 805 A 57 TRP HA A 60 ASP HBy 1.0 0.0 4.03 1131 806 A 57 TRP HA A 60 ASP HBx 1.0 0.0 3.36 1132 807 A 57 TRP HA A 60 ASP H 1.0 0.0 4.13 1133 808 A 57 TRP HBx A 57 TRP HE3 1.0 0.0 4.09 1134 809 A 57 TRP HBx A 58 VAL HGy% 1.0 0.0 5.64 1135 810 A 57 TRP HE3 A 57 TRP HBy 1.0 0.0 4.09 1136 811 A 58 VAL HGy% A 57 TRP HBy 1.0 0.0 5.14 1137 812 A 57 TRP HD1 A 57 TRP HBy 1.0 0.0 3.37 1138 812 A 57 TRP HBx A 57 TRP HD1 1.0 0.0 3.37 1139 813 A 57 TRP HE3 A 57 TRP HBy 1.0 0.0 3.54 1140 813 A 57 TRP HBx A 57 TRP HE3 1.0 0.0 3.54 1141 814 A 58 VAL HGy% A 57 TRP HBy 1.0 0.0 4.35 1142 814 A 57 TRP HBx A 58 VAL HGy% 1.0 0.0 4.35 1143 815 A 41 PHE HBx A 57 TRP HE3 1.0 0.0 5.85 1144 816 A 41 PHE HBy A 57 TRP HE3 1.0 0.0 5.50 1145 817 A 49 ILE HG2% A 57 TRP HE3 1.0 0.0 6.00 1146 818 A 58 VAL HA A 57 TRP HE3 1.0 0.0 4.07 1147 819 A 41 PHE HA A 57 TRP HZ3 1.0 0.0 5.70 1148 820 A 41 PHE HBx A 57 TRP HZ3 1.0 0.0 5.30 1149 821 A 41 PHE HBy A 57 TRP HZ3 1.0 0.0 5.00 1150 822 A 58 VAL HGy% A 57 TRP HZ3 1.0 0.0 5.15 1151 823 A 58 VAL HGx% A 58 VAL HA 1.0 0.0 3.00 1152 824 A 58 VAL HGy% A 58 VAL HA 1.0 0.0 3.07 1153 825 A 58 VAL HA A 59 GLN HA 1.0 0.0 5.08 1154 826 A 58 VAL HA A 61 SER HBx 1.0 0.0 4.04 1155 826 A 61 SER HBy A 58 VAL HA 1.0 0.0 4.04 1156 827 A 58 VAL HB A 59 GLN H 1.0 0.0 3.35 1157 828 A 58 VAL HGx% A 59 GLN HA 1.0 0.0 3.54 1158 829 A 58 VAL HGx% A 59 GLN HBx 1.0 0.0 4.56 1159 829 A 58 VAL HGx% A 59 GLN HBy 1.0 0.0 4.56 1160 830 A 58 VAL HGx% A 59 GLN HGx 1.0 0.0 4.38 1161 831 A 58 VAL HGx% A 59 GLN HGy 1.0 0.0 4.02 1162 832 A 58 VAL HGx% A 59 GLN H 1.0 0.0 4.14 1163 833 A 58 VAL HGx% A 61 SER HBx 1.0 0.0 4.92 1164 833 A 61 SER HBy A 58 VAL HGx% 1.0 0.0 4.92 1165 834 A 62 MET HE% A 58 VAL HGx% 1.0 0.0 2.53 1166 835 A 58 VAL HGx% A 62 MET HGy 1.0 0.0 5.00 1167 836 A 58 VAL HGy% A 59 GLN HA 1.0 0.0 5.37 1168 837 A 58 VAL HGy% A 59 GLN HGx 1.0 0.0 5.22 1169 838 A 58 VAL HGy% A 61 SER HBx 1.0 0.0 5.50 1170 838 A 61 SER HBy A 58 VAL HGy% 1.0 0.0 5.50 1171 839 A 58 VAL HGy% A 61 SER H 1.0 0.0 5.34 1172 840 A 58 VAL HB A 58 VAL H 1.0 0.0 3.08 1173 841 A 58 VAL HGx% A 58 VAL H 1.0 0.0 3.89 1174 842 A 58 VAL HGy% A 58 VAL H 1.0 0.0 3.09 1175 843 A 59 GLN H A 58 VAL H 1.0 0.0 3.23 1176 844 A 59 GLN HA A 59 GLN HBx 1.0 0.0 2.89 1177 844 A 59 GLN HBy A 59 GLN HA 1.0 0.0 2.89 1178 845 A 59 GLN HGx A 59 GLN HA 1.0 0.0 3.64 1179 846 A 59 GLN HGy A 59 GLN HA 1.0 0.0 3.30 1180 847 A 62 MET HBx A 59 GLN HA 1.0 0.0 5.05 1181 848 A 62 MET HE% A 59 GLN HA 1.0 0.0 3.05 1182 849 A 62 MET HGx A 59 GLN HA 1.0 0.0 4.45 1183 850 A 62 MET HGy A 59 GLN HA 1.0 0.0 3.70 1184 851 A 59 GLN HA A 63 LYS H 1.0 0.0 4.40 1185 852 A 59 GLN HGx A 59 GLN HBx 1.0 0.0 2.58 1186 852 A 59 GLN HBy A 59 GLN HGx 1.0 0.0 2.58 1187 853 A 59 GLN HGy A 59 GLN HBx 1.0 0.0 2.90 1188 853 A 59 GLN HBy A 59 GLN HGy 1.0 0.0 2.90 1189 854 A 60 ASP HA A 59 GLN HBx 1.0 0.0 4.48 1190 854 A 59 GLN HBy A 60 ASP HA 1.0 0.0 4.48 1191 855 A 60 ASP HBy A 59 GLN HBx 1.0 0.0 5.50 1192 855 A 59 GLN HBy A 60 ASP HBy 1.0 0.0 5.50 1193 856 A 60 ASP HBx A 59 GLN HBx 1.0 0.0 4.62 1194 856 A 59 GLN HBy A 60 ASP HBx 1.0 0.0 4.62 1195 857 A 60 ASP H A 59 GLN HBx 1.0 0.0 3.29 1196 857 A 59 GLN HBy A 60 ASP H 1.0 0.0 3.29 1197 858 A 62 MET HGx A 59 GLN HBx 1.0 0.0 4.80 1198 858 A 62 MET HGx A 59 GLN HBy 1.0 0.0 4.80 1199 859 A 62 MET HGy A 59 GLN HBx 1.0 0.0 4.79 1200 859 A 62 MET HGy A 59 GLN HBy 1.0 0.0 4.79 1201 860 A 62 MET HE% A 59 GLN HGy 1.0 0.0 4.03 1202 861 A 59 GLN H A 59 GLN HBx 1.0 0.0 3.17 1203 861 A 59 GLN HBy A 59 GLN H 1.0 0.0 3.17 1204 862 A 59 GLN HGx A 59 GLN H 1.0 0.0 3.71 1205 863 A 59 GLN HGy A 59 GLN H 1.0 0.0 3.37 1206 864 A 60 ASP H A 59 GLN H 1.0 0.0 3.61 1207 865 A 60 ASP HBx A 60 ASP HA 1.0 0.0 2.99 1208 866 A 60 ASP HA A 63 LYS HBx 1.0 0.0 2.94 1209 866 A 60 ASP HA A 63 LYS HBy 1.0 0.0 2.94 1210 867 A 63 LYS H A 60 ASP HA 1.0 0.0 4.02 1211 868 A 60 ASP HBy A 61 SER HBx 1.0 0.0 4.57 1212 868 A 61 SER HBy A 60 ASP HBy 1.0 0.0 4.57 1213 869 A 60 ASP HBy A 61 SER H 1.0 0.0 3.54 1214 870 A 60 ASP HBy A 63 LYS HBx 1.0 0.0 5.07 1215 870 A 60 ASP HBy A 63 LYS HBy 1.0 0.0 5.07 1216 871 A 60 ASP HBx A 63 LYS HBx 1.0 0.0 5.03 1217 871 A 60 ASP HBx A 63 LYS HBy 1.0 0.0 5.03 1218 872 A 60 ASP H A 60 ASP HBy 1.0 0.0 3.40 1219 873 A 60 ASP H A 61 SER H 1.0 0.0 3.61 1220 874 A 60 ASP H A 63 LYS HBx 1.0 0.0 4.65 1221 874 A 60 ASP H A 63 LYS HBy 1.0 0.0 4.65 1222 875 A 61 SER HA A 61 SER HBx 1.0 0.0 2.80 1223 875 A 61 SER HBy A 61 SER HA 1.0 0.0 2.80 1224 876 A 61 SER HA A 63 LYS HBx 1.0 0.0 5.04 1225 876 A 61 SER HA A 63 LYS HBy 1.0 0.0 5.04 1226 877 A 61 SER HA A 64 TYR HBx 1.0 0.0 3.49 1227 877 A 64 TYR HBy A 61 SER HA 1.0 0.0 3.49 1228 878 A 61 SER HA A 64 TYR HD% 1.0 0.0 3.56 1229 879 A 61 SER HA A 65 LEU HDx% 1.0 0.0 4.66 1230 880 A 61 SER HA A 65 LEU HG 1.0 0.0 5.13 1231 881 A 62 MET HE% A 61 SER HBx 1.0 0.0 5.06 1232 881 A 61 SER HBy A 62 MET HE% 1.0 0.0 5.06 1233 882 A 61 SER HBy A 64 TYR HBx 1.0 0.0 5.04 1234 882 A 61 SER HBx A 64 TYR HBx 1.0 0.0 5.04 1235 882 A 64 TYR HBy A 61 SER HBx 1.0 0.0 5.04 1236 882 A 61 SER HBy A 64 TYR HBy 1.0 0.0 5.04 1237 883 A 64 TYR HD% A 61 SER HBx 1.0 0.0 4.25 1238 883 A 61 SER HBy A 64 TYR HD% 1.0 0.0 4.25 1239 884 A 65 LEU HDx% A 61 SER HBx 1.0 0.0 4.50 1240 884 A 61 SER HBy A 65 LEU HDx% 1.0 0.0 4.50 1241 885 A 61 SER H A 61 SER HBx 1.0 0.0 3.99 1242 885 A 61 SER HBy A 61 SER H 1.0 0.0 3.99 1243 886 A 61 SER H A 62 MET H 1.0 0.0 3.50 1244 887 A 61 SER H A 63 LYS H 1.0 0.0 4.15 1245 888 A 62 MET HA A 62 MET HE% 1.0 0.0 4.88 1246 889 A 62 MET HA A 62 MET HGx 1.0 0.0 3.81 1247 890 A 62 MET HA A 62 MET HGy 1.0 0.0 3.95 1248 891 A 62 MET HA A 64 TYR HBx 1.0 0.0 5.50 1249 891 A 64 TYR HBy A 62 MET HA 1.0 0.0 5.50 1250 892 A 65 LEU HBx A 62 MET HA 1.0 0.0 4.39 1251 893 A 65 LEU HBy A 62 MET HA 1.0 0.0 3.23 1252 894 A 65 LEU HDx% A 62 MET HA 1.0 0.0 3.62 1253 895 A 65 LEU HDx% A 62 MET HBy 1.0 0.0 4.57 1254 896 A 62 MET HE% A 62 MET HGx 1.0 0.0 3.62 1255 897 A 65 LEU HDx% A 62 MET HGx 1.0 0.0 5.42 1256 898 A 62 MET HE% A 62 MET HGy 1.0 0.0 3.06 1257 899 A 65 LEU HDx% A 62 MET HGy 1.0 0.0 5.21 1258 900 A 62 MET HBy A 62 MET H 1.0 0.0 3.70 1259 901 A 62 MET HGx A 62 MET H 1.0 0.0 3.71 1260 902 A 63 LYS H A 62 MET H 1.0 0.0 3.57 1261 903 A 63 LYS HA A 63 LYS HBx 1.0 0.0 2.64 1262 903 A 63 LYS HBy A 63 LYS HA 1.0 0.0 2.64 1263 904 A 63 LYS HA A 63 LYS HDx 1.0 0.0 3.52 1264 904 A 63 LYS HA A 63 LYS HDy 1.0 0.0 3.52 1265 905 A 63 LYS HA A 63 LYS HGx 1.0 0.0 3.44 1266 906 A 63 LYS HA A 63 LYS HGy 1.0 0.0 3.88 1267 907 A 63 LYS HA A 66 ASP HBx 1.0 0.0 3.47 1268 908 A 63 LYS HA A 66 ASP H 1.0 0.0 3.82 1269 909 A 63 LYS HA A 67 GLN HGy 1.0 0.0 5.34 1270 909 A 63 LYS HA A 67 GLN HGx 1.0 0.0 5.34 1271 910 A 63 LYS HBx A 63 LYS HDx 1.0 0.0 2.79 1272 910 A 63 LYS HBy A 63 LYS HDx 1.0 0.0 2.79 1273 910 A 63 LYS HDy A 63 LYS HBx 1.0 0.0 2.79 1274 910 A 63 LYS HBy A 63 LYS HDy 1.0 0.0 2.79 1275 911 A 63 LYS HGx A 63 LYS HBx 1.0 0.0 2.54 1276 911 A 63 LYS HBy A 63 LYS HGx 1.0 0.0 2.54 1277 912 A 64 TYR HA A 63 LYS HBx 1.0 0.0 4.40 1278 912 A 63 LYS HBy A 64 TYR HA 1.0 0.0 4.40 1279 913 A 63 LYS HBy A 64 TYR HBx 1.0 0.0 4.06 1280 913 A 63 LYS HBx A 64 TYR HBx 1.0 0.0 4.06 1281 913 A 64 TYR HBy A 63 LYS HBx 1.0 0.0 4.06 1282 913 A 64 TYR HBy A 63 LYS HBy 1.0 0.0 4.06 1283 914 A 64 TYR H A 63 LYS HBx 1.0 0.0 3.21 1284 914 A 63 LYS HBy A 64 TYR H 1.0 0.0 3.21 1285 915 A 66 ASP HBx A 63 LYS HBx 1.0 0.0 4.99 1286 915 A 63 LYS HBy A 66 ASP HBx 1.0 0.0 4.99 1287 916 A 66 ASP H A 63 LYS HBx 1.0 0.0 5.15 1288 916 A 63 LYS HBy A 66 ASP H 1.0 0.0 5.15 1289 917 A 63 LYS HDx A 63 LYS HEx 1.0 0.0 2.40 1290 917 A 63 LYS HDy A 63 LYS HEx 1.0 0.0 2.40 1291 917 A 63 LYS HEy A 63 LYS HDx 1.0 0.0 2.40 1292 917 A 63 LYS HDy A 63 LYS HEy 1.0 0.0 2.40 1293 918 A 64 TYR HA A 63 LYS HDx 1.0 0.0 4.58 1294 918 A 63 LYS HDy A 64 TYR HA 1.0 0.0 4.58 1295 919 A 66 ASP HBy A 63 LYS HDx 1.0 0.0 4.17 1296 919 A 63 LYS HDy A 66 ASP HBy 1.0 0.0 4.17 1297 920 A 66 ASP HBx A 63 LYS HDx 1.0 0.0 4.55 1298 920 A 63 LYS HDy A 66 ASP HBx 1.0 0.0 4.55 1299 921 A 63 LYS HDy A 67 GLN HGx 1.0 0.0 4.81 1300 921 A 67 GLN HGx A 63 LYS HDx 1.0 0.0 4.81 1301 922 A 63 LYS HDy A 67 GLN HGy 1.0 0.0 4.81 1302 922 A 63 LYS HDx A 67 GLN HGy 1.0 0.0 4.81 1303 923 A 63 LYS HDy A 67 GLN HGy 1.0 0.0 4.18 1304 923 A 63 LYS HDx A 67 GLN HGy 1.0 0.0 4.18 1305 923 A 67 GLN HGx A 63 LYS HDx 1.0 0.0 4.18 1306 923 A 63 LYS HDy A 67 GLN HGx 1.0 0.0 4.18 1307 924 A 66 ASP HBx A 63 LYS HEx 1.0 0.0 4.71 1308 924 A 66 ASP HBx A 63 LYS HEy 1.0 0.0 4.71 1309 925 A 67 GLN HGx A 63 LYS HEy 1.0 0.0 4.93 1310 925 A 67 GLN HGx A 63 LYS HEx 1.0 0.0 4.93 1311 926 A 63 LYS HEy A 67 GLN HGy 1.0 0.0 4.93 1312 926 A 63 LYS HEx A 67 GLN HGy 1.0 0.0 4.93 1313 927 A 63 LYS HEy A 67 GLN HGy 1.0 0.0 4.25 1314 927 A 63 LYS HEx A 67 GLN HGy 1.0 0.0 4.25 1315 927 A 67 GLN HGx A 63 LYS HEx 1.0 0.0 4.25 1316 927 A 67 GLN HGx A 63 LYS HEy 1.0 0.0 4.25 1317 928 A 63 LYS HGx A 63 LYS HDx 1.0 0.0 2.69 1318 928 A 63 LYS HDy A 63 LYS HGx 1.0 0.0 2.69 1319 929 A 63 LYS HGx A 63 LYS HEx 1.0 0.0 2.86 1320 929 A 63 LYS HGx A 63 LYS HEy 1.0 0.0 2.86 1321 930 A 63 LYS HGx A 64 TYR HA 1.0 0.0 3.64 1322 931 A 63 LYS HGx A 64 TYR HBx 1.0 0.0 5.46 1323 931 A 64 TYR HBy A 63 LYS HGx 1.0 0.0 5.46 1324 932 A 63 LYS HGx A 66 ASP HBx 1.0 0.0 5.21 1325 933 A 63 LYS HGx A 67 GLN HGy 1.0 0.0 4.63 1326 933 A 63 LYS HGx A 67 GLN HGx 1.0 0.0 4.63 1327 934 A 63 LYS HGy A 63 LYS HDx 1.0 0.0 2.55 1328 934 A 63 LYS HDy A 63 LYS HGy 1.0 0.0 2.55 1329 935 A 63 LYS HGy A 63 LYS HEx 1.0 0.0 3.65 1330 935 A 63 LYS HGy A 63 LYS HEy 1.0 0.0 3.65 1331 936 A 63 LYS H A 63 LYS HBx 1.0 0.0 2.85 1332 936 A 63 LYS H A 63 LYS HBy 1.0 0.0 2.85 1333 937 A 63 LYS H A 63 LYS HDx 1.0 0.0 4.43 1334 937 A 63 LYS H A 63 LYS HDy 1.0 0.0 4.43 1335 938 A 63 LYS H A 63 LYS HGx 1.0 0.0 5.30 1336 939 A 63 LYS H A 64 TYR H 1.0 0.0 3.28 1337 940 A 64 TYR HA A 64 TYR HBx 1.0 0.0 2.88 1338 940 A 64 TYR HBy A 64 TYR HA 1.0 0.0 2.88 1339 941 A 64 TYR HD% A 64 TYR HA 1.0 0.0 3.35 1340 942 A 64 TYR HA A 65 LEU HA 1.0 0.0 5.50 1341 943 A 65 LEU HG A 64 TYR HA 1.0 0.0 5.50 1342 944 A 64 TYR HA A 66 ASP HBy 1.0 0.0 5.50 1343 945 A 64 TYR HA A 67 GLN HBx 1.0 0.0 4.41 1344 945 A 64 TYR HA A 67 GLN HBy 1.0 0.0 4.41 1345 946 A 64 TYR HA A 67 GLN HGy 1.0 0.0 3.19 1346 946 A 67 GLN HGx A 64 TYR HA 1.0 0.0 3.19 1347 947 A 65 LEU HDx% A 64 TYR HBx 1.0 0.0 5.05 1348 947 A 64 TYR HBy A 65 LEU HDx% 1.0 0.0 5.05 1349 948 A 65 LEU HDy% A 64 TYR HBx 1.0 0.0 5.50 1350 948 A 64 TYR HBy A 65 LEU HDy% 1.0 0.0 5.50 1351 949 A 65 LEU HG A 64 TYR HBx 1.0 0.0 4.61 1352 949 A 64 TYR HBy A 65 LEU HG 1.0 0.0 4.61 1353 950 A 65 LEU H A 64 TYR HBx 1.0 0.0 3.53 1354 950 A 64 TYR HBy A 65 LEU H 1.0 0.0 3.53 1355 951 A 66 ASP H A 64 TYR HBx 1.0 0.0 4.97 1356 951 A 64 TYR HBy A 66 ASP H 1.0 0.0 4.97 1357 952 A 64 TYR HBy A 67 GLN HGy 1.0 0.0 4.71 1358 952 A 64 TYR HBx A 67 GLN HGy 1.0 0.0 4.71 1359 952 A 67 GLN HGx A 64 TYR HBx 1.0 0.0 4.71 1360 952 A 64 TYR HBy A 67 GLN HGx 1.0 0.0 4.71 1361 953 A 64 TYR HD% A 65 LEU HA 1.0 0.0 4.03 1362 954 A 64 TYR HD% A 65 LEU HDx% 1.0 0.0 3.69 1363 955 A 64 TYR HD% A 65 LEU HG 1.0 0.0 3.85 1364 956 A 64 TYR HD% A 65 LEU H 1.0 0.0 3.64 1365 957 A 64 TYR HE% A 65 LEU HA 1.0 0.0 4.18 1366 958 A 64 TYR HE% A 65 LEU HG 1.0 0.0 4.18 1367 959 A 64 TYR HE% A 68 LYS HDx 1.0 0.0 4.00 1368 959 A 64 TYR HE% A 68 LYS HDy 1.0 0.0 4.00 1369 960 A 64 TYR H A 64 TYR HBx 1.0 0.0 2.86 1370 960 A 64 TYR HBy A 64 TYR H 1.0 0.0 2.86 1371 961 A 65 LEU HG A 64 TYR H 1.0 0.0 4.96 1372 962 A 64 TYR H A 65 LEU H 1.0 0.0 3.43 1373 963 A 66 ASP H A 64 TYR H 1.0 0.0 4.26 1374 964 A 65 LEU HBx A 65 LEU HA 1.0 0.0 2.99 1375 965 A 65 LEU HDx% A 65 LEU HA 1.0 0.0 3.89 1376 966 A 65 LEU HDy% A 65 LEU HA 1.0 0.0 2.67 1377 967 A 65 LEU HG A 65 LEU HA 1.0 0.0 4.05 1378 968 A 66 ASP HBx A 65 LEU HA 1.0 0.0 5.50 1379 969 A 65 LEU HA A 68 LYS HDx 1.0 0.0 3.71 1380 969 A 65 LEU HA A 68 LYS HDy 1.0 0.0 3.71 1381 970 A 65 LEU HA A 68 LYS HEx 1.0 0.0 4.25 1382 970 A 68 LYS HEy A 65 LEU HA 1.0 0.0 4.25 1383 971 A 65 LEU HA A 68 LYS HGx 1.0 0.0 3.32 1384 971 A 65 LEU HA A 68 LYS HGy 1.0 0.0 3.32 1385 972 A 65 LEU HA A 70 PRO HDx 1.0 0.0 4.43 1386 973 A 65 LEU HDx% A 65 LEU HBx 1.0 0.0 3.44 1387 974 A 65 LEU HDy% A 65 LEU HBx 1.0 0.0 3.36 1388 975 A 65 LEU HBx A 70 PRO HBx 1.0 0.0 5.04 1389 975 A 65 LEU HBx A 70 PRO HBy 1.0 0.0 5.04 1390 976 A 65 LEU HBx A 70 PRO HDx 1.0 0.0 4.46 1391 977 A 65 LEU HBx A 70 PRO HDy 1.0 0.0 4.72 1392 978 A 65 LEU HDx% A 65 LEU HBy 1.0 0.0 3.35 1393 979 A 65 LEU HDy% A 65 LEU HBy 1.0 0.0 3.49 1394 980 A 65 LEU HDx% A 68 LYS HDx 1.0 0.0 5.35 1395 980 A 65 LEU HDx% A 68 LYS HDy 1.0 0.0 5.35 1396 981 A 65 LEU HDx% A 70 PRO HGx 1.0 0.0 4.28 1397 981 A 65 LEU HDx% A 70 PRO HGy 1.0 0.0 4.28 1398 982 A 65 LEU HDy% A 68 LYS HDx 1.0 0.0 4.49 1399 982 A 65 LEU HDy% A 68 LYS HDy 1.0 0.0 4.49 1400 983 A 65 LEU HDy% A 68 LYS HEx 1.0 0.0 3.57 1401 983 A 65 LEU HDy% A 68 LYS HEy 1.0 0.0 3.57 1402 984 A 65 LEU HDy% A 68 LYS HGx 1.0 0.0 3.53 1403 984 A 65 LEU HDy% A 68 LYS HGy 1.0 0.0 3.53 1404 985 A 65 LEU HDy% A 70 PRO HBx 1.0 0.0 4.29 1405 985 A 65 LEU HDy% A 70 PRO HBy 1.0 0.0 4.29 1406 986 A 65 LEU HDy% A 70 PRO HDx 1.0 0.0 4.52 1407 987 A 65 LEU HDy% A 70 PRO HGx 1.0 0.0 4.04 1408 987 A 65 LEU HDy% A 70 PRO HGy 1.0 0.0 4.04 1409 988 A 65 LEU HG A 66 ASP H 1.0 0.0 4.90 1410 989 A 65 LEU HG A 68 LYS HGx 1.0 0.0 5.50 1411 989 A 65 LEU HG A 68 LYS HGy 1.0 0.0 5.50 1412 990 A 65 LEU HBx A 65 LEU H 1.0 0.0 3.65 1413 991 A 65 LEU HDy% A 65 LEU H 1.0 0.0 4.12 1414 992 A 66 ASP H A 65 LEU H 1.0 0.0 3.35 1415 993 A 66 ASP HBx A 66 ASP HA 1.0 0.0 3.02 1416 994 A 66 ASP HA A 67 GLN HA 1.0 0.0 5.01 1417 995 A 66 ASP HA A 67 GLN HGy 1.0 0.0 5.07 1418 995 A 67 GLN HGx A 66 ASP HA 1.0 0.0 5.07 1419 996 A 66 ASP HBy A 67 GLN HGy 1.0 0.0 4.53 1420 996 A 67 GLN HGx A 66 ASP HBy 1.0 0.0 4.53 1421 997 A 66 ASP HBy A 67 GLN H 1.0 0.0 4.19 1422 998 A 66 ASP HBx A 67 GLN HGy 1.0 0.0 4.60 1423 998 A 66 ASP HBx A 67 GLN HGx 1.0 0.0 4.60 1424 999 A 66 ASP HBx A 67 GLN H 1.0 0.0 4.37 1425 1000 A 66 ASP H A 66 ASP HBy 1.0 0.0 3.26 1426 1001 A 66 ASP HBx A 66 ASP H 1.0 0.0 3.62 1427 1002 A 66 ASP H A 67 GLN HE2x 1.0 0.0 4.79 1428 1002 A 66 ASP H A 67 GLN HE2y 1.0 0.0 4.79 1429 1003 A 66 ASP H A 67 GLN HGy 1.0 0.0 4.16 1430 1003 A 66 ASP H A 67 GLN HGx 1.0 0.0 4.16 1431 1004 A 66 ASP H A 67 GLN H 1.0 0.0 3.48 1432 1005 A 67 GLN HA A 67 GLN HBx 1.0 0.0 2.70 1433 1005 A 67 GLN HBy A 67 GLN HA 1.0 0.0 2.70 1434 1006 A 67 GLN HGx A 67 GLN HA 1.0 0.0 3.70 1435 1007 A 67 GLN HA A 67 GLN HGy 1.0 0.0 3.70 1436 1008 A 67 GLN HA A 67 GLN HGy 1.0 0.0 2.94 1437 1008 A 67 GLN HGx A 67 GLN HA 1.0 0.0 2.94 1438 1009 A 67 GLN HGx A 67 GLN HBy 1.0 0.0 2.94 1439 1009 A 67 GLN HGx A 67 GLN HBx 1.0 0.0 2.94 1440 1010 A 67 GLN HBy A 67 GLN HGy 1.0 0.0 2.94 1441 1010 A 67 GLN HBx A 67 GLN HGy 1.0 0.0 2.94 1442 1011 A 68 LYS H A 67 GLN HBx 1.0 0.0 3.98 1443 1011 A 67 GLN HBy A 68 LYS H 1.0 0.0 3.98 1444 1012 A 67 GLN HGy A 68 LYS HDx 1.0 0.0 5.84 1445 1012 A 67 GLN HGx A 68 LYS HDx 1.0 0.0 5.84 1446 1012 A 68 LYS HDy A 67 GLN HGy 1.0 0.0 5.84 1447 1012 A 67 GLN HGx A 68 LYS HDy 1.0 0.0 5.84 1448 1013 A 67 GLN H A 67 GLN HBx 1.0 0.0 3.05 1449 1013 A 67 GLN HBy A 67 GLN H 1.0 0.0 3.05 1450 1014 A 67 GLN HGx A 67 GLN H 1.0 0.0 3.86 1451 1015 A 67 GLN H A 67 GLN HGy 1.0 0.0 3.86 1452 1016 A 67 GLN H A 67 GLN HGy 1.0 0.0 3.30 1453 1016 A 67 GLN HGx A 67 GLN H 1.0 0.0 3.30 1454 1017 A 68 LYS HA A 68 LYS HBx 1.0 0.0 2.83 1455 1018 A 68 LYS HA A 68 LYS HBy 1.0 0.0 2.83 1456 1019 A 68 LYS HA A 68 LYS HGx 1.0 0.0 3.35 1457 1019 A 68 LYS HGy A 68 LYS HA 1.0 0.0 3.35 1458 1020 A 68 LYS HBx A 68 LYS HEx 1.0 0.0 3.72 1459 1020 A 68 LYS HBy A 68 LYS HEx 1.0 0.0 3.72 1460 1020 A 68 LYS HEy A 68 LYS HBx 1.0 0.0 3.72 1461 1020 A 68 LYS HEy A 68 LYS HBy 1.0 0.0 3.72 1462 1021 A 70 PRO HDx A 68 LYS HBx 1.0 0.0 4.84 1463 1021 A 70 PRO HDx A 68 LYS HBy 1.0 0.0 4.84 1464 1022 A 70 PRO HDx A 68 LYS HDx 1.0 0.0 4.45 1465 1022 A 68 LYS HDy A 70 PRO HDx 1.0 0.0 4.45 1466 1023 A 68 LYS HDx A 70 PRO HGx 1.0 0.0 4.21 1467 1023 A 68 LYS HDy A 70 PRO HGx 1.0 0.0 4.21 1468 1023 A 70 PRO HGy A 68 LYS HDx 1.0 0.0 4.21 1469 1023 A 70 PRO HGy A 68 LYS HDy 1.0 0.0 4.21 1470 1024 A 68 LYS HEx A 70 PRO HBx 1.0 0.0 4.22 1471 1024 A 70 PRO HBy A 68 LYS HEx 1.0 0.0 4.22 1472 1024 A 68 LYS HEy A 70 PRO HBy 1.0 0.0 4.22 1473 1024 A 68 LYS HEy A 70 PRO HBx 1.0 0.0 4.22 1474 1025 A 68 LYS HEx A 70 PRO HGx 1.0 0.0 4.94 1475 1025 A 68 LYS HEy A 70 PRO HGx 1.0 0.0 4.94 1476 1025 A 70 PRO HGy A 68 LYS HEx 1.0 0.0 4.94 1477 1025 A 68 LYS HEy A 70 PRO HGy 1.0 0.0 4.94 1478 1026 A 68 LYS HDx A 68 LYS HGx 1.0 0.0 2.40 1479 1026 A 68 LYS HDy A 68 LYS HGx 1.0 0.0 2.40 1480 1026 A 68 LYS HGy A 68 LYS HDx 1.0 0.0 2.40 1481 1026 A 68 LYS HDy A 68 LYS HGy 1.0 0.0 2.40 1482 1027 A 68 LYS HEx A 68 LYS HGx 1.0 0.0 3.04 1483 1027 A 68 LYS HEy A 68 LYS HGx 1.0 0.0 3.04 1484 1027 A 68 LYS HGy A 68 LYS HEx 1.0 0.0 3.04 1485 1027 A 68 LYS HEy A 68 LYS HGy 1.0 0.0 3.04 1486 1028 A 70 PRO HA A 68 LYS HGx 1.0 0.0 4.14 1487 1028 A 68 LYS HGy A 70 PRO HA 1.0 0.0 4.14 1488 1029 A 68 LYS HGy A 70 PRO HBx 1.0 0.0 5.24 1489 1029 A 68 LYS HGx A 70 PRO HBx 1.0 0.0 5.24 1490 1029 A 70 PRO HBy A 68 LYS HGx 1.0 0.0 5.24 1491 1029 A 70 PRO HBy A 68 LYS HGy 1.0 0.0 5.24 1492 1030 A 70 PRO HDx A 68 LYS HGx 1.0 0.0 4.70 1493 1030 A 68 LYS HGy A 70 PRO HDx 1.0 0.0 4.70 1494 1031 A 68 LYS HGx A 70 PRO HGx 1.0 0.0 4.31 1495 1031 A 70 PRO HGy A 68 LYS HGx 1.0 0.0 4.31 1496 1031 A 70 PRO HGy A 68 LYS HGy 1.0 0.0 4.31 1497 1031 A 68 LYS HGy A 70 PRO HGx 1.0 0.0 4.31 1498 1032 A 70 PRO HDx A 69 SER HA 1.0 0.0 3.10 1499 1033 A 70 PRO HDy A 69 SER HA 1.0 0.0 2.77 1500 1034 A 69 SER HA A 70 PRO HGx 1.0 0.0 4.10 1501 1034 A 70 PRO HGy A 69 SER HA 1.0 0.0 4.10 1502 1035 A 70 PRO HA A 69 SER HBx 1.0 0.0 5.36 1503 1035 A 70 PRO HA A 69 SER HBy 1.0 0.0 5.36 1504 1036 A 71 THR HG2% A 70 PRO HGx 1.0 0.0 5.58 1505 1036 A 70 PRO HGy A 71 THR HG2% 1.0 0.0 5.58 1506 1037 A 71 THR HG2% A 71 THR HA 1.0 0.0 3.41 1507 1038 A 71 THR HA A 72 PRO HDy 1.0 0.0 3.53 1508 1038 A 71 THR HA A 72 PRO HDx 1.0 0.0 3.53 1509 1039 A 71 THR HG2% A 72 PRO HDy 1.0 0.0 4.44 1510 1040 A 73 LYS HBy A 73 LYS HEx 1.0 0.0 4.15 1511 1040 A 73 LYS HEy A 73 LYS HBx 1.0 0.0 4.15 1512 1040 A 73 LYS HBy A 73 LYS HEy 1.0 0.0 4.15 1513 1040 A 73 LYS HBx A 73 LYS HEx 1.0 0.0 4.15 1514 1041 A 73 LYS HDx A 73 LYS HGx 1.0 0.0 2.40 1515 1041 A 73 LYS HDy A 73 LYS HGx 1.0 0.0 2.40 1516 1041 A 73 LYS HGy A 73 LYS HDx 1.0 0.0 2.40 1517 1041 A 73 LYS HGy A 73 LYS HDy 1.0 0.0 2.40 1518 1042 B 210 THR HA B 210 THR HG2% 1.0 0.0 4.00 1519 1043 B 211 PHE HBx B 212 GLY HAx 1.0 0.0 5.20 1520 1043 B 212 GLY HAy B 211 PHE HBy 1.0 0.0 5.20 1521 1043 B 211 PHE HBx B 212 GLY HAy 1.0 0.0 5.20 1522 1043 B 211 PHE HBy B 212 GLY HAx 1.0 0.0 5.20 1523 1044 B 213 THR HG2% B 212 GLY HAx 1.0 0.0 5.00 1524 1044 B 212 GLY HAy B 213 THR HG2% 1.0 0.0 5.00 1525 1045 B 213 THR HG2% B 213 THR HA 1.0 0.0 3.43 1526 1046 B 214 THR HA B 214 THR HG2% 1.0 0.0 3.12 1527 1047 B 214 THR HG2% B 215 SER HBx 1.0 0.0 5.50 1528 1047 B 214 THR HG2% B 215 SER HBy 1.0 0.0 5.50 1529 1048 B 216 TYS HBy B 215 SER HBx 1.0 0.0 5.33 1530 1048 B 216 TYS HBy B 215 SER HBy 1.0 0.0 5.33 1531 1049 B 218 ASP HA B 215 SER HBx 1.0 0.0 4.95 1532 1049 B 215 SER HBy B 218 ASP HA 1.0 0.0 4.95 1533 1050 B 215 SER HBx B 218 ASP HBy 1.0 0.0 5.66 1534 1050 B 215 SER HBy B 218 ASP HBy 1.0 0.0 5.66 1535 1050 B 218 ASP HBx B 215 SER HBx 1.0 0.0 5.66 1536 1050 B 215 SER HBy B 218 ASP HBx 1.0 0.0 5.66 1537 1051 B 215 SER HBy B 220 VAL HGx% 1.0 0.0 6.03 1538 1051 B 215 SER HBx B 220 VAL HGx% 1.0 0.0 6.03 1539 1051 B 220 VAL HGy% B 215 SER HBx 1.0 0.0 6.03 1540 1051 B 215 SER HBy B 220 VAL HGy% 1.0 0.0 6.03 1541 1052 B 217 TYS HBy B 220 VAL HA 1.0 0.0 6.00 1542 1053 B 217 TYS HBy B 220 VAL HGx% 1.0 0.0 4.55 1543 1053 B 217 TYS HBy B 220 VAL HGy% 1.0 0.0 4.55 1544 1054 B 217 TYS HBy B 222 LEU HDx% 1.0 0.0 5.40 1545 1054 B 217 TYS HBy B 222 LEU HDy% 1.0 0.0 5.40 1546 1055 B 219 ASP HA B 219 ASP HBx 1.0 0.0 2.63 1547 1055 B 219 ASP HA B 219 ASP HBy 1.0 0.0 2.63 1548 1056 B 219 ASP HA B 220 VAL HB 1.0 0.0 4.82 1549 1057 B 219 ASP HA B 220 VAL H 1.0 0.0 3.48 1550 1058 B 219 ASP HA B 222 LEU HBx 1.0 0.0 5.38 1551 1058 B 222 LEU HBy B 219 ASP HA 1.0 0.0 5.38 1552 1059 B 220 VAL HA B 219 ASP HBx 1.0 0.0 5.49 1553 1060 B 220 VAL HGy% B 219 ASP HBx 1.0 0.0 4.88 1554 1060 B 219 ASP HBx B 220 VAL HGx% 1.0 0.0 4.88 1555 1061 B 222 LEU HBy B 219 ASP HBx 1.0 0.0 4.46 1556 1061 B 219 ASP HBx B 222 LEU HBx 1.0 0.0 4.46 1557 1062 B 220 VAL HA B 219 ASP HBy 1.0 0.0 5.09 1558 1063 B 220 VAL HGy% B 219 ASP HBy 1.0 0.0 5.08 1559 1063 B 219 ASP HBy B 220 VAL HGx% 1.0 0.0 5.08 1560 1064 B 222 LEU HBy B 219 ASP HBy 1.0 0.0 4.46 1561 1064 B 219 ASP HBy B 222 LEU HBx 1.0 0.0 4.46 1562 1065 B 220 VAL H B 219 ASP HBx 1.0 0.0 4.04 1563 1065 B 219 ASP HBy B 220 VAL H 1.0 0.0 4.04 1564 1066 B 219 ASP HBx B 222 LEU HBx 1.0 0.0 3.80 1565 1066 B 219 ASP HBy B 222 LEU HBx 1.0 0.0 3.80 1566 1066 B 222 LEU HBy B 219 ASP HBx 1.0 0.0 3.80 1567 1066 B 222 LEU HBy B 219 ASP HBy 1.0 0.0 3.80 1568 1067 B 219 ASP HBy B 222 LEU HDx% 1.0 0.0 5.28 1569 1067 B 219 ASP HBx B 222 LEU HDx% 1.0 0.0 5.28 1570 1067 B 222 LEU HDy% B 219 ASP HBx 1.0 0.0 5.28 1571 1067 B 222 LEU HDy% B 219 ASP HBy 1.0 0.0 5.28 1572 1068 B 220 VAL HA B 220 VAL HGx% 1.0 0.0 2.99 1573 1068 B 220 VAL HGy% B 220 VAL HA 1.0 0.0 2.99 1574 1069 B 220 VAL HA B 223 LEU HBx 1.0 0.0 5.00 1575 1069 B 220 VAL HA B 223 LEU HBy 1.0 0.0 5.00 1576 1070 B 220 VAL HGx% B 221 GLY HAy 1.0 0.0 5.25 1577 1070 B 220 VAL HGy% B 221 GLY HAy 1.0 0.0 5.25 1578 1070 B 221 GLY HAx B 220 VAL HGx% 1.0 0.0 5.25 1579 1070 B 220 VAL HGy% B 221 GLY HAx 1.0 0.0 5.25 1580 1071 B 220 VAL HB B 220 VAL H 1.0 0.0 3.78 1581 1072 B 220 VAL H B 220 VAL HGx% 1.0 0.0 3.36 1582 1072 B 220 VAL HGy% B 220 VAL H 1.0 0.0 3.36 1583 1073 B 221 GLY HAx B 222 LEU HBx 1.0 0.0 4.55 1584 1073 B 221 GLY HAy B 222 LEU HBx 1.0 0.0 4.55 1585 1073 B 222 LEU HBy B 221 GLY HAy 1.0 0.0 4.55 1586 1073 B 222 LEU HBy B 221 GLY HAx 1.0 0.0 4.55 1587 1074 B 222 LEU HA B 222 LEU HDx% 1.0 0.0 3.34 1588 1074 B 222 LEU HDy% B 222 LEU HA 1.0 0.0 3.34 1589 1075 B 222 LEU HA B 223 LEU H 1.0 0.0 3.70 1590 1076 B 222 LEU HBx B 222 LEU HDx% 1.0 0.0 3.16 1591 1076 B 222 LEU HDy% B 222 LEU HBx 1.0 0.0 3.16 1592 1076 B 222 LEU HDy% B 222 LEU HBy 1.0 0.0 3.16 1593 1076 B 222 LEU HBy B 222 LEU HDx% 1.0 0.0 3.16 1594 1077 B 222 LEU H B 222 LEU HBx 1.0 0.0 3.64 1595 1077 B 222 LEU HBy B 222 LEU H 1.0 0.0 3.64 1596 1078 B 223 LEU H B 222 LEU H 1.0 0.0 4.37 1597 1079 B 223 LEU HA B 223 LEU HDx% 1.0 0.0 3.32 1598 1079 B 223 LEU HA B 223 LEU HDy% 1.0 0.0 3.32 1599 1080 B 223 LEU HA B 223 LEU HG 1.0 0.0 3.80 1600 1081 B 223 LEU HBx B 223 LEU HDx% 1.0 0.0 2.89 1601 1081 B 223 LEU HBy B 223 LEU HDx% 1.0 0.0 2.89 1602 1081 B 223 LEU HDy% B 223 LEU HBx 1.0 0.0 2.89 1603 1081 B 223 LEU HDy% B 223 LEU HBy 1.0 0.0 2.89 1604 1082 B 223 LEU H B 223 LEU HBx 1.0 0.0 3.11 1605 1082 B 223 LEU HBy B 223 LEU H 1.0 0.0 3.11 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_2 _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 19 PRO C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -71.1 -31.3 PHI 2 2 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 GLN N 1.0 -64.8 -25.2 PSI 3 3 A 20 LEU C A 21 GLN N A 21 GLN CA A 21 GLN C 1.0 -81.2 -45.8 PHI 4 4 A 21 GLN N A 21 GLN CA A 21 GLN C A 22 ARG N 1.0 -58.5 -14.5 PSI 5 5 A 21 GLN C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -104.5 -54.9 PHI 6 6 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LEU N 1.0 -59.0 16.8 PSI 7 7 A 25 SER C A 26 TYR N A 26 TYR CA A 26 TYR C 1.0 -181.3 -97.3 PHI 8 8 A 26 TYR N A 26 TYR CA A 26 TYR C A 27 ARG N 1.0 153.3 177.5 PSI 9 9 A 26 TYR C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -176.3 -91.5 PHI 10 10 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 ARG N 1.0 112.2 178.2 PSI 11 11 A 27 ARG C A 28 ARG N A 28 ARG CA A 28 ARG C 1.0 -157.1 -70.7 PHI 12 12 A 28 ARG N A 28 ARG CA A 28 ARG C A 29 ILE N 1.0 104.3 160.7 PSI 13 13 A 37 LYS C A 38 ALA N A 38 ALA CA A 38 ALA C 1.0 -168.4 -93.0 PHI 14 14 A 38 ALA N A 38 ALA CA A 38 ALA C A 39 VAL N 1.0 124.4 171.4 PSI 15 15 A 38 ALA C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -150.2 -80.6 PHI 16 16 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 ILE N 1.0 116.3 163.3 PSI 17 17 A 39 VAL C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -170.6 -85.6 PHI 18 18 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 PHE N 1.0 103.6 167.4 PSI 19 19 A 40 ILE C A 41 PHE N A 41 PHE CA A 41 PHE C 1.0 -137.4 -79.0 PHI 20 20 A 41 PHE N A 41 PHE CA A 41 PHE C A 42 LYS N 1.0 119.8 148.4 PSI 21 21 A 41 PHE C A 42 LYS N A 42 LYS CA A 42 LYS C 1.0 -142.8 -85.0 PHI 22 22 A 42 LYS N A 42 LYS CA A 42 LYS C A 43 THR N 1.0 97.2 162.2 PSI 23 23 A 42 LYS C A 43 THR N A 43 THR CA A 43 THR C 1.0 -149.7 -62.5 PHI 24 24 A 43 THR N A 43 THR CA A 43 THR C A 44 LYS N 1.0 154.8 181.0 PSI 25 25 A 47 LYS C A 48 ASP N A 48 ASP CA A 48 ASP C 1.0 -138.9 -71.7 PHI 26 26 A 48 ASP N A 48 ASP CA A 48 ASP C A 49 ILE N 1.0 93.2 150.4 PSI 27 27 A 48 ASP C A 49 ILE N A 49 ILE CA A 49 ILE C 1.0 -137.2 -95.8 PHI 28 28 A 49 ILE N A 49 ILE CA A 49 ILE C A 50 CYS N 1.0 105.9 153.9 PSI 29 29 A 49 ILE C A 50 CYS N A 50 CYS CA A 50 CYS C 1.0 -161.4 -101.2 PHI 30 30 A 50 CYS N A 50 CYS CA A 50 CYS C A 51 ALA N 1.0 120.0 180.6 PSI 31 31 A 50 CYS C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -175.8 -103.2 PHI 32 32 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 ASP N 1.0 122.7 172.7 PSI 33 33 A 51 ALA C A 52 ASP N A 52 ASP CA A 52 ASP C 1.0 -179.8 -66.6 PHI 34 34 A 52 ASP N A 52 ASP CA A 52 ASP C A 53 PRO N 1.0 96.1 172.5 PSI 35 35 A 55 LYS C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -64.1 -46.5 PHI 36 36 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 TRP N 1.0 -56.9 -22.9 PSI 37 37 A 56 LYS C A 57 TRP N A 57 TRP CA A 57 TRP C 1.0 -68.0 -56.4 PHI 38 38 A 57 TRP N A 57 TRP CA A 57 TRP C A 58 VAL N 1.0 -51.3 -21.7 PSI 39 39 A 57 TRP C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -83.9 -52.1 PHI 40 40 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 GLN N 1.0 -53.9 -28.7 PSI 41 41 A 58 VAL C A 59 GLN N A 59 GLN CA A 59 GLN C 1.0 -69.0 -54.6 PHI 42 42 A 59 GLN N A 59 GLN CA A 59 GLN C A 60 ASP N 1.0 -51.4 -33.8 PSI 43 43 A 59 GLN C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -76.7 -53.3 PHI 44 44 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 SER N 1.0 -57.3 -17.3 PSI 45 45 A 60 ASP C A 61 SER N A 61 SER CA A 61 SER C 1.0 -68.7 -57.1 PHI 46 46 A 61 SER N A 61 SER CA A 61 SER C A 62 MET N 1.0 -51.2 -29.4 PSI 47 47 A 61 SER C A 62 MET N A 62 MET CA A 62 MET C 1.0 -70.2 -54.0 PHI 48 48 A 62 MET N A 62 MET CA A 62 MET C A 63 LYS N 1.0 -57.7 -32.3 PSI 49 49 A 62 MET C A 63 LYS N A 63 LYS CA A 63 LYS C 1.0 -74.7 -48.1 PHI 50 50 A 63 LYS N A 63 LYS CA A 63 LYS C A 64 TYR N 1.0 -52.7 -26.1 PSI 51 51 A 63 LYS C A 64 TYR N A 64 TYR CA A 64 TYR C 1.0 -81.6 -48.8 PHI 52 52 A 64 TYR N A 64 TYR CA A 64 TYR C A 65 LEU N 1.0 -57.5 -28.9 PSI 53 53 A 64 TYR C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -74.3 -49.3 PHI 54 54 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 ASP N 1.0 -67.4 -19.8 PSI 55 55 A 65 LEU C A 66 ASP N A 66 ASP CA A 66 ASP C 1.0 -76.5 -50.3 PHI 56 56 A 66 ASP N A 66 ASP CA A 66 ASP C A 67 GLN N 1.0 -53.5 -33.1 PSI 57 57 A 66 ASP C A 67 GLN N A 67 GLN CA A 67 GLN C 1.0 -84.8 -54.0 PHI 58 58 A 67 GLN N A 67 GLN CA A 67 GLN C A 68 LYS N 1.0 -53.7 -0.5 PSI stop_ save_