data_nef_c25423_2mxp 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 2MXP PDB 4XKL 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 27 HIS NE2 2 1 ZN ZN 1 31 HIS NE2 2 1 ZN ZN 1 12 CYS SG 2 1 ZN ZN 1 9 CYS SG 2 1 ZN ZN 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 49 GLN start . . 2 A 50 MET middle . . 3 A 51 GLN middle . . 4 A 52 PRO middle . false 5 A 53 LEU middle . . 6 A 54 CYS middle . . 7 A 55 PHE middle . . 8 A 56 ASN middle . . 9 A 57 CYS middle -HG . 10 A 58 PRO middle . false 11 A 59 ILE middle . . 12 A 60 CYS middle -HG . 13 A 61 ASP middle . . 14 A 62 LYS middle . . 15 A 63 ILE middle . . 16 A 64 PHE middle . . 17 A 65 PRO middle . false 18 A 66 ALA middle . . 19 A 67 THR middle . . 20 A 68 GLU middle . . 21 A 69 LYS middle . . 22 A 70 GLN middle . . 23 A 71 ILE middle . . 24 A 72 PHE middle . . 25 A 73 GLU middle . . 26 A 74 ASP middle . . 27 A 75 HIS middle -HE2 . 28 A 76 VAL middle . . 29 A 77 PHE middle . . 30 A 78 CYS middle . . 31 A 79 HIS middle -HE2 . 32 A 80 SER middle . . 33 A 81 LEU end . . 34 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 49 GLN H1 H 1 8.0360 . A 49 GLN HA H 1 4.1940 . A 49 GLN HBy H 1 2.0650 . A 49 GLN HBx H 1 1.9690 . A 49 GLN HE2y H 1 7.4350 . A 49 GLN HE2x H 1 6.8030 . A 49 GLN HGx H 1 2.3220 . A 49 GLN HGy H 1 2.3900 . A 49 GLN CA C 13 55.7350 . A 49 GLN CB C 13 28.8180 . A 49 GLN CG C 13 33.5470 . A 49 GLN N N 15 118.4470 . A 49 GLN NE2 N 15 112.3050 . A 50 MET H H 1 7.9440 . A 50 MET HA H 1 4.3540 . A 50 MET HBy H 1 2.0120 . A 50 MET HBx H 1 1.9730 . A 50 MET HE% H 1 2.0030 . A 50 MET HGx H 1 2.4930 . A 50 MET HGy H 1 2.5690 . A 50 MET CA C 13 55.1490 . A 50 MET CB C 13 32.5140 . A 50 MET CE C 13 16.6450 . A 50 MET CG C 13 31.6880 . A 50 MET N N 15 120.0510 . A 51 GLN H H 1 8.1430 . A 51 GLN HA H 1 4.5140 . A 51 GLN HBy H 1 2.0130 . A 51 GLN HBx H 1 1.8440 . A 51 GLN HE2y H 1 7.4760 . A 51 GLN HE2x H 1 6.8110 . A 51 GLN HGx H 1 2.2970 . A 51 GLN HGy H 1 2.2970 . A 51 GLN CA C 13 53.3030 . A 51 GLN CB C 13 28.7820 . A 51 GLN CG C 13 33.0460 . A 51 GLN N N 15 122.3110 . A 51 GLN NE2 N 15 112.7440 . A 52 PRO HA H 1 4.3070 . A 52 PRO HBy H 1 2.1410 . A 52 PRO HBx H 1 1.6950 . A 52 PRO HDy H 1 3.6960 . A 52 PRO HDx H 1 3.5450 . A 52 PRO HGx H 1 1.8500 . A 52 PRO HGy H 1 1.8880 . A 52 PRO CA C 13 62.4810 . A 52 PRO CB C 13 31.8500 . A 52 PRO CD C 13 50.1800 . A 52 PRO CG C 13 27.1330 . A 53 LEU H H 1 8.3120 . A 53 LEU HA H 1 4.1510 . A 53 LEU HBx H 1 1.4080 . A 53 LEU HBy H 1 1.5060 . A 53 LEU HDx% H 1 0.7500 . A 53 LEU HDy% H 1 0.8090 . A 53 LEU HG H 1 1.4990 . A 53 LEU CA C 13 54.9320 . A 53 LEU CB C 13 41.9740 . A 53 LEU CDx C 13 23.1500 . A 53 LEU CDy C 13 24.5470 . A 53 LEU CG C 13 26.7500 . A 53 LEU N N 15 121.8330 . A 54 CYS H H 1 7.7190 . A 54 CYS HA H 1 4.3950 . A 54 CYS HBx H 1 2.6950 . A 54 CYS HBy H 1 2.7450 . A 54 CYS CA C 13 56.1820 . A 54 CYS CB C 13 29.8690 . A 54 CYS N N 15 115.8190 . A 55 PHE H H 1 8.7900 . A 55 PHE HA H 1 4.4980 . A 55 PHE HBx H 1 1.2540 . A 55 PHE HBy H 1 1.7290 . A 55 PHE HDx H 1 6.6920 . A 55 PHE HDy H 1 6.6920 . A 55 PHE HEx H 1 7.1670 . A 55 PHE HEy H 1 7.1670 . A 55 PHE CA C 13 55.6900 . A 55 PHE CB C 13 39.9810 . A 55 PHE N N 15 119.0440 . A 56 ASN H H 1 8.4830 . A 56 ASN HA H 1 5.3350 . A 56 ASN HBx H 1 2.4300 . A 56 ASN HBy H 1 2.4500 . A 56 ASN HD2x H 1 6.5850 . A 56 ASN HD2y H 1 7.2160 . A 56 ASN CA C 13 51.2470 . A 56 ASN CB C 13 40.3030 . A 56 ASN N N 15 119.2540 . A 56 ASN ND2 N 15 112.9680 . A 57 CYS H H 1 9.4040 . A 57 CYS HA H 1 4.9050 . A 57 CYS HBx H 1 3.0680 . A 57 CYS HBy H 1 3.5250 . A 57 CYS CA C 13 57.4160 . A 57 CYS CB C 13 29.7870 . A 57 CYS N N 15 127.4390 . A 58 PRO HA H 1 4.5740 . A 58 PRO HBy H 1 2.4030 . A 58 PRO HBx H 1 2.0590 . A 58 PRO HDx H 1 4.2470 . A 58 PRO HDy H 1 4.3670 . A 58 PRO HGy H 1 2.2260 . A 58 PRO HGx H 1 1.9870 . A 58 PRO CA C 13 63.7960 . A 58 PRO CB C 13 31.9120 . A 58 PRO CD C 13 51.3210 . A 58 PRO CG C 13 26.6640 . A 59 ILE H H 1 9.0060 . A 59 ILE HA H 1 3.9190 . A 59 ILE HB H 1 0.9530 . A 59 ILE HD1% H 1 0.6150 . A 59 ILE HG1x H 1 1.0390 . A 59 ILE HG1y H 1 1.1590 . A 59 ILE HG2% H 1 0.2510 . A 59 ILE CA C 13 62.0840 . A 59 ILE CB C 13 38.5490 . A 59 ILE CD1 C 13 11.9400 . A 59 ILE CG1 C 13 28.1330 . A 59 ILE CG2 C 13 16.5120 . A 59 ILE N N 15 122.5150 . A 60 CYS H H 1 8.4500 . A 60 CYS HA H 1 5.1230 . A 60 CYS HBy H 1 3.4550 . A 60 CYS HBx H 1 2.7330 . A 60 CYS CA C 13 57.9240 . A 60 CYS CB C 13 31.8560 . A 60 CYS N N 15 119.6200 . A 61 ASP H H 1 8.0690 . A 61 ASP HA H 1 4.6740 . A 61 ASP HBx H 1 2.7870 . A 61 ASP HBy H 1 2.8990 . A 61 ASP CA C 13 55.8980 . A 61 ASP CB C 13 40.4490 . A 61 ASP N N 15 119.4530 . A 62 LYS H H 1 8.1260 . A 62 LYS HA H 1 4.0010 . A 62 LYS HBx H 1 1.2650 . A 62 LYS HBy H 1 1.7880 . A 62 LYS HDx H 1 1.1830 . A 62 LYS HDy H 1 1.4380 . A 62 LYS HEx H 1 2.5950 . A 62 LYS HEy H 1 2.7660 . A 62 LYS HGy H 1 1.2690 . A 62 LYS HGx H 1 0.8280 . A 62 LYS CA C 13 58.1440 . A 62 LYS CB C 13 33.8710 . A 62 LYS CD C 13 28.8750 . A 62 LYS CE C 13 41.3900 . A 62 LYS CG C 13 25.4960 . A 62 LYS N N 15 122.8650 . A 63 ILE H H 1 7.8380 . A 63 ILE HA H 1 4.8440 . A 63 ILE HB H 1 1.4830 . A 63 ILE HD1% H 1 0.7550 . A 63 ILE HG1y H 1 1.5560 . A 63 ILE HG1x H 1 0.9660 . A 63 ILE HG2% H 1 0.7200 . A 63 ILE CA C 13 59.8550 . A 63 ILE CB C 13 39.9090 . A 63 ILE CD1 C 13 13.2510 . A 63 ILE CG1 C 13 27.3460 . A 63 ILE CG2 C 13 17.5530 . A 63 ILE N N 15 123.3980 . A 64 PHE H H 1 9.0540 . A 64 PHE HA H 1 4.8650 . A 64 PHE HBy H 1 3.1060 . A 64 PHE HBx H 1 2.6990 . A 64 PHE HDx H 1 7.3500 . A 64 PHE HDy H 1 7.3500 . A 64 PHE HEx H 1 6.8420 . A 64 PHE HEy H 1 6.8420 . A 64 PHE HZ H 1 6.3690 . A 64 PHE CA C 13 54.2690 . A 64 PHE CB C 13 41.3930 . A 64 PHE N N 15 124.9210 . A 65 PRO HA H 1 4.6110 . A 65 PRO HBy H 1 2.3740 . A 65 PRO HBx H 1 1.9930 . A 65 PRO HDy H 1 3.8400 . A 65 PRO HDx H 1 3.7520 . A 65 PRO HGx H 1 1.9810 . A 65 PRO HGy H 1 1.9810 . A 65 PRO CA C 13 62.0500 . A 65 PRO CB C 13 32.6250 . A 65 PRO CD C 13 50.4210 . A 65 PRO CG C 13 27.4870 . A 66 ALA H H 1 8.2710 . A 66 ALA HA H 1 3.7790 . A 66 ALA HB% H 1 1.0980 . A 66 ALA CA C 13 53.8620 . A 66 ALA CB C 13 18.1440 . A 66 ALA N N 15 121.9230 . A 67 THR H H 1 7.1750 . A 67 THR HA H 1 4.2320 . A 67 THR HB H 1 4.4910 . A 67 THR HG2% H 1 1.2520 . A 67 THR CA C 13 61.8240 . A 67 THR CB C 13 68.1030 . A 67 THR CG2 C 13 22.3260 . A 67 THR N N 15 104.0760 . A 68 GLU H H 1 7.8790 . A 68 GLU HA H 1 4.9230 . A 68 GLU HBy H 1 2.6000 . A 68 GLU HBx H 1 1.9530 . A 68 GLU HGy H 1 2.2920 . A 68 GLU HGx H 1 2.1560 . A 68 GLU CA C 13 54.3370 . A 68 GLU CB C 13 28.2870 . A 68 GLU CG C 13 35.5800 . A 68 GLU N N 15 122.7880 . A 69 LYS H H 1 7.6270 . A 69 LYS HA H 1 3.4340 . A 69 LYS HBx H 1 1.7470 . A 69 LYS HBy H 1 1.9090 . A 69 LYS HDx H 1 1.5690 . A 69 LYS HDy H 1 1.6680 . A 69 LYS HEx H 1 2.8860 . A 69 LYS HEy H 1 2.8860 . A 69 LYS HGx H 1 0.9700 . A 69 LYS HGy H 1 1.2340 . A 69 LYS CA C 13 60.4100 . A 69 LYS CB C 13 32.3000 . A 69 LYS CD C 13 29.3020 . A 69 LYS CE C 13 41.6320 . A 69 LYS CG C 13 24.5370 . A 69 LYS N N 15 121.1360 . A 70 GLN H H 1 8.5030 . A 70 GLN HA H 1 3.9180 . A 70 GLN HBx H 1 1.9750 . A 70 GLN HBy H 1 2.0410 . A 70 GLN HE2y H 1 7.6720 . A 70 GLN HE2x H 1 6.8910 . A 70 GLN HGx H 1 2.3070 . A 70 GLN HGy H 1 2.3070 . A 70 GLN CA C 13 58.6630 . A 70 GLN CB C 13 27.7530 . A 70 GLN CG C 13 33.6290 . A 70 GLN N N 15 117.0130 . A 70 GLN NE2 N 15 115.3770 . A 71 ILE H H 1 7.3080 . A 71 ILE HA H 1 3.7550 . A 71 ILE HB H 1 1.9450 . A 71 ILE HD1% H 1 0.8950 . A 71 ILE HG1x H 1 1.2390 . A 71 ILE HG1y H 1 1.6340 . A 71 ILE HG2% H 1 1.0710 . A 71 ILE CA C 13 63.8450 . A 71 ILE CB C 13 37.6370 . A 71 ILE CD1 C 13 12.3890 . A 71 ILE CG1 C 13 28.7280 . A 71 ILE CG2 C 13 17.4830 . A 71 ILE N N 15 119.5880 . A 72 PHE H H 1 8.0430 . A 72 PHE HA H 1 2.9670 . A 72 PHE HBy H 1 2.7740 . A 72 PHE HBx H 1 2.4070 . A 72 PHE HDx H 1 6.5420 . A 72 PHE HDy H 1 6.5420 . A 72 PHE HEx H 1 6.9730 . A 72 PHE HEy H 1 6.9730 . A 72 PHE HZ H 1 7.2490 . A 72 PHE CA C 13 59.4360 . A 72 PHE CB C 13 37.4060 . A 72 PHE N N 15 122.3930 . A 73 GLU H H 1 8.3070 . A 73 GLU HA H 1 3.2350 . A 73 GLU HBx H 1 1.7820 . A 73 GLU HBy H 1 1.9120 . A 73 GLU HGx H 1 1.9950 . A 73 GLU HGy H 1 2.4050 . A 73 GLU CA C 13 59.3760 . A 73 GLU CB C 13 28.4690 . A 73 GLU CG C 13 36.8260 . A 73 GLU N N 15 119.3500 . A 74 ASP H H 1 8.1300 . A 74 ASP HA H 1 4.3680 . A 74 ASP HBy H 1 2.6610 . A 74 ASP HBx H 1 2.5790 . A 74 ASP CA C 13 56.8890 . A 74 ASP CB C 13 40.2110 . A 74 ASP N N 15 120.0850 . A 75 HIS H H 1 8.0370 . A 75 HIS HA H 1 3.9880 . A 75 HIS HBx H 1 3.0590 . A 75 HIS HBy H 1 3.4280 . A 75 HIS HD2 H 1 6.9970 . A 75 HIS HE1 H 1 7.9390 . A 75 HIS CA C 13 59.7290 . A 75 HIS CB C 13 27.2800 . A 75 HIS N N 15 120.7120 . A 76 VAL H H 1 8.1680 . A 76 VAL HA H 1 3.4380 . A 76 VAL HB H 1 1.7260 . A 76 VAL HGx% H 1 0.7600 . A 76 VAL HGy% H 1 0.8190 . A 76 VAL CA C 13 67.0430 . A 76 VAL CB C 13 31.6480 . A 76 VAL CGy C 13 23.0760 . A 76 VAL CGx C 13 21.1440 . A 76 VAL N N 15 119.2760 . A 77 PHE H H 1 7.9500 . A 77 PHE HA H 1 4.1840 . A 77 PHE HBx H 1 3.1850 . A 77 PHE HBy H 1 3.1850 . A 77 PHE HDx H 1 7.2080 . A 77 PHE HDy H 1 7.2080 . A 77 PHE HEx H 1 7.2360 . A 77 PHE HEy H 1 7.2360 . A 77 PHE CA C 13 60.5380 . A 77 PHE CB C 13 38.6160 . A 77 PHE N N 15 120.8830 . A 78 CYS H H 1 8.0170 . A 78 CYS HA H 1 3.9300 . A 78 CYS HBx H 1 2.7110 . A 78 CYS HBy H 1 2.8200 . A 78 CYS CA C 13 62.3750 . A 78 CYS CB C 13 26.0950 . A 78 CYS N N 15 116.9560 . A 79 HIS H H 1 7.2290 . A 79 HIS HA H 1 4.3870 . A 79 HIS HBy H 1 3.2230 . A 79 HIS HBx H 1 3.0980 . A 79 HIS HD2 H 1 6.6190 . A 79 HIS HE1 H 1 7.9920 . A 79 HIS CA C 13 57.9100 . A 79 HIS CB C 13 28.4750 . A 79 HIS N N 15 117.0410 . A 80 SER H H 1 7.9020 . A 80 SER HA H 1 4.3430 . A 80 SER HBx H 1 3.7810 . A 80 SER HBy H 1 3.7810 . A 80 SER CA C 13 58.4480 . A 80 SER CB C 13 63.4710 . A 80 SER N N 15 114.6840 . A 81 LEU H H 1 7.1050 . A 81 LEU HA H 1 4.0130 . A 81 LEU HBx H 1 1.4350 . A 81 LEU HBy H 1 1.5510 . A 81 LEU HDx% H 1 0.8310 . A 81 LEU HDy% H 1 0.6860 . A 81 LEU HG H 1 1.3610 . A 81 LEU CA C 13 56.2060 . A 81 LEU CB C 13 42.6170 . A 81 LEU CDy C 13 25.3360 . A 81 LEU CDx C 13 22.4850 . A 81 LEU CG C 13 26.6330 . A 81 LEU N N 15 128.5350 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 49 GLN HA A 49 GLN HBy 1.0 1.8 3.7 2 1 A 49 GLN HA A 49 GLN HBx 1.0 1.8 3.7 3 2 A 49 GLN HA A 49 GLN HGx 1.0 1.8 4.3 4 2 A 49 GLN HA A 49 GLN HGy 1.0 1.8 4.3 5 3 A 49 GLN HBy A 49 GLN HGx 1.0 1.8 4.7 6 3 A 49 GLN HBx A 49 GLN HGx 1.0 1.8 4.7 7 3 A 49 GLN HGy A 49 GLN HBy 1.0 1.8 4.7 8 3 A 49 GLN HBx A 49 GLN HGy 1.0 1.8 4.7 9 4 A 50 MET HA A 50 MET HBy 1.0 1.8 3.7 10 4 A 50 MET HA A 50 MET HBx 1.0 1.8 3.7 11 5 A 50 MET HA A 50 MET HE% 1.0 1.8 4.8 12 6 A 50 MET HA A 50 MET HGx 1.0 1.8 4.3 13 6 A 50 MET HA A 50 MET HGy 1.0 1.8 4.3 14 7 A 50 MET HBy A 50 MET HGx 1.0 1.8 5.3 15 7 A 50 MET HBx A 50 MET HGx 1.0 1.8 5.3 16 7 A 50 MET HGy A 50 MET HBy 1.0 1.8 5.3 17 7 A 50 MET HBx A 50 MET HGy 1.0 1.8 5.3 18 8 A 50 MET HE% A 50 MET HGx 1.0 1.8 5.8 19 8 A 50 MET HE% A 50 MET HGy 1.0 1.8 5.8 20 9 A 50 MET HE% A 53 LEU HDx% 1.0 1.8 9.8 21 9 A 50 MET HE% A 53 LEU HDy% 1.0 1.8 9.8 22 10 A 51 GLN HA A 51 GLN HBy 1.0 1.8 4.3 23 10 A 51 GLN HA A 51 GLN HBx 1.0 1.8 4.3 24 11 A 51 GLN HA A 51 GLN HGx 1.0 1.8 6.0 25 11 A 51 GLN HA A 51 GLN HGy 1.0 1.8 6.0 26 12 A 51 GLN HA A 52 PRO HBy 1.0 1.8 6.0 27 12 A 51 GLN HA A 52 PRO HBx 1.0 1.8 6.0 28 13 A 51 GLN HA A 52 PRO HDy 1.0 1.8 6.0 29 13 A 51 GLN HA A 52 PRO HDx 1.0 1.8 6.0 30 14 A 51 GLN HA A 52 PRO HGx 1.0 1.8 6.0 31 14 A 51 GLN HA A 52 PRO HGy 1.0 1.8 6.0 32 15 A 51 GLN HBy A 51 GLN HGx 1.0 1.8 4.7 33 15 A 51 GLN HBx A 51 GLN HGx 1.0 1.8 4.7 34 15 A 51 GLN HGy A 51 GLN HBy 1.0 1.8 4.7 35 15 A 51 GLN HBx A 51 GLN HGy 1.0 1.8 4.7 36 16 A 51 GLN HBx A 52 PRO HDy 1.0 1.8 7.0 37 16 A 51 GLN HBy A 52 PRO HDy 1.0 1.8 7.0 38 16 A 52 PRO HDx A 51 GLN HBy 1.0 1.8 7.0 39 16 A 51 GLN HBx A 52 PRO HDx 1.0 1.8 7.0 40 17 A 51 GLN HGx A 52 PRO HDy 1.0 1.8 7.0 41 17 A 51 GLN HGy A 52 PRO HDy 1.0 1.8 7.0 42 17 A 52 PRO HDx A 51 GLN HGx 1.0 1.8 7.0 43 17 A 51 GLN HGy A 52 PRO HDx 1.0 1.8 7.0 44 18 A 52 PRO HA A 52 PRO HBy 1.0 1.8 3.7 45 18 A 52 PRO HBx A 52 PRO HA 1.0 1.8 3.7 46 19 A 52 PRO HA A 52 PRO HDy 1.0 1.8 4.3 47 19 A 52 PRO HDx A 52 PRO HA 1.0 1.8 4.3 48 20 A 52 PRO HA A 52 PRO HGx 1.0 1.8 4.3 49 20 A 52 PRO HGy A 52 PRO HA 1.0 1.8 4.3 50 21 A 52 PRO HA A 53 LEU HBx 1.0 1.8 6.0 51 21 A 52 PRO HA A 53 LEU HBy 1.0 1.8 6.0 52 22 A 52 PRO HA A 53 LEU HDx% 1.0 1.8 7.4 53 22 A 53 LEU HDy% A 52 PRO HA 1.0 1.8 7.4 54 23 A 52 PRO HA A 66 ALA HB% 1.0 1.8 6.9 55 24 A 52 PRO HBx A 52 PRO HDy 1.0 1.8 5.3 56 24 A 52 PRO HBy A 52 PRO HDy 1.0 1.8 5.3 57 24 A 52 PRO HDx A 52 PRO HBy 1.0 1.8 5.3 58 24 A 52 PRO HBx A 52 PRO HDx 1.0 1.8 5.3 59 25 A 52 PRO HBy A 52 PRO HGx 1.0 1.8 4.7 60 25 A 52 PRO HBx A 52 PRO HGx 1.0 1.8 4.7 61 25 A 52 PRO HGy A 52 PRO HBy 1.0 1.8 4.7 62 25 A 52 PRO HBx A 52 PRO HGy 1.0 1.8 4.7 63 26 A 52 PRO HBx A 53 LEU HBx 1.0 1.8 7.0 64 26 A 52 PRO HBy A 53 LEU HBx 1.0 1.8 7.0 65 26 A 53 LEU HBy A 52 PRO HBy 1.0 1.8 7.0 66 26 A 52 PRO HBx A 53 LEU HBy 1.0 1.8 7.0 67 27 A 66 ALA HB% A 52 PRO HBy 1.0 1.8 7.5 68 27 A 52 PRO HBx A 66 ALA HB% 1.0 1.8 7.5 69 28 A 52 PRO HDx A 52 PRO HGx 1.0 1.8 4.7 70 28 A 52 PRO HDy A 52 PRO HGx 1.0 1.8 4.7 71 28 A 52 PRO HGy A 52 PRO HDy 1.0 1.8 4.7 72 28 A 52 PRO HDx A 52 PRO HGy 1.0 1.8 4.7 73 29 A 66 ALA HB% A 52 PRO HGx 1.0 1.8 7.5 74 29 A 52 PRO HGy A 66 ALA HB% 1.0 1.8 7.5 75 30 A 53 LEU HA A 53 LEU HBx 1.0 1.8 3.7 76 30 A 53 LEU HBy A 53 LEU HA 1.0 1.8 3.7 77 31 A 53 LEU HA A 53 LEU HDx% 1.0 1.8 4.4 78 31 A 53 LEU HDy% A 53 LEU HA 1.0 1.8 4.4 79 32 A 53 LEU HA A 53 LEU HG 1.0 1.8 3.3 80 33 A 66 ALA HB% A 53 LEU HA 1.0 1.8 4.8 81 34 A 53 LEU HBx A 53 LEU HDx% 1.0 1.8 6.1 82 34 A 53 LEU HBy A 53 LEU HDx% 1.0 1.8 6.1 83 34 A 53 LEU HDy% A 53 LEU HBx 1.0 1.8 6.1 84 34 A 53 LEU HDy% A 53 LEU HBy 1.0 1.8 6.1 85 35 A 54 CYS HA A 53 LEU HBx 1.0 1.8 6.0 86 35 A 53 LEU HBy A 54 CYS HA 1.0 1.8 6.0 87 36 A 66 ALA HB% A 53 LEU HBx 1.0 1.8 5.8 88 36 A 53 LEU HBy A 66 ALA HB% 1.0 1.8 5.8 89 37 A 53 LEU HG A 53 LEU HDx% 1.0 1.8 4.4 90 37 A 53 LEU HDy% A 53 LEU HG 1.0 1.8 4.4 91 38 A 66 ALA HB% A 53 LEU HDx% 1.0 1.8 7.2 92 38 A 53 LEU HDy% A 66 ALA HB% 1.0 1.8 7.2 93 39 A 54 CYS HA A 54 CYS HBx 1.0 1.8 3.7 94 39 A 54 CYS HA A 54 CYS HBy 1.0 1.8 3.7 95 40 A 54 CYS HA A 63 ILE HG2% 1.0 1.8 4.8 96 41 A 54 CYS HA A 65 PRO HA 1.0 1.8 2.7 97 42 A 54 CYS HA A 66 ALA HA 1.0 1.8 2.7 98 43 A 66 ALA HB% A 54 CYS HA 1.0 1.8 4.8 99 44 A 63 ILE HA A 54 CYS HBx 1.0 1.8 6.0 100 44 A 54 CYS HBy A 63 ILE HA 1.0 1.8 6.0 101 45 A 63 ILE HB A 54 CYS HBx 1.0 1.8 6.0 102 45 A 54 CYS HBy A 63 ILE HB 1.0 1.8 6.0 103 46 A 63 ILE HD1% A 54 CYS HBx 1.0 1.8 7.5 104 46 A 54 CYS HBy A 63 ILE HD1% 1.0 1.8 7.5 105 47 A 54 CYS HBx A 63 ILE HG1y 1.0 1.8 7.0 106 47 A 54 CYS HBy A 63 ILE HG1y 1.0 1.8 7.0 107 47 A 63 ILE HG1x A 54 CYS HBx 1.0 1.8 7.0 108 47 A 54 CYS HBy A 63 ILE HG1x 1.0 1.8 7.0 109 48 A 63 ILE HG2% A 54 CYS HBx 1.0 1.8 5.2 110 48 A 54 CYS HBy A 63 ILE HG2% 1.0 1.8 5.2 111 49 A 65 PRO HA A 54 CYS HBx 1.0 1.8 4.3 112 49 A 54 CYS HBy A 65 PRO HA 1.0 1.8 4.3 113 50 A 55 PHE HA A 55 PHE HBx 1.0 1.8 3.7 114 50 A 55 PHE HA A 55 PHE HBy 1.0 1.8 3.7 115 51 A 55 PHE HBx A 64 PHE HBy 1.0 1.8 5.3 116 51 A 64 PHE HBx A 55 PHE HBx 1.0 1.8 5.3 117 51 A 55 PHE HBy A 64 PHE HBx 1.0 1.8 5.3 118 51 A 55 PHE HBy A 64 PHE HBy 1.0 1.8 5.3 119 52 A 56 ASN HA A 56 ASN HBx 1.0 1.8 3.7 120 52 A 56 ASN HA A 56 ASN HBy 1.0 1.8 3.7 121 53 A 56 ASN HA A 57 CYS HBx 1.0 1.8 6.0 122 53 A 56 ASN HA A 57 CYS HBy 1.0 1.8 6.0 123 54 A 63 ILE HA A 56 ASN HA 1.0 1.8 2.7 124 55 A 63 ILE HB A 56 ASN HA 1.0 1.8 5.0 125 56 A 63 ILE HD1% A 56 ASN HA 1.0 1.8 6.5 126 57 A 56 ASN HA A 63 ILE HG1y 1.0 1.8 6.0 127 57 A 63 ILE HG1x A 56 ASN HA 1.0 1.8 6.0 128 58 A 63 ILE HG2% A 56 ASN HA 1.0 1.8 4.8 129 59 A 61 ASP HA A 56 ASN HBx 1.0 1.8 6.0 130 59 A 56 ASN HBy A 61 ASP HA 1.0 1.8 6.0 131 60 A 63 ILE HA A 56 ASN HBx 1.0 1.8 6.0 132 60 A 63 ILE HA A 56 ASN HBy 1.0 1.8 6.0 133 61 A 63 ILE HD1% A 56 ASN HBx 1.0 1.8 7.5 134 61 A 63 ILE HD1% A 56 ASN HBy 1.0 1.8 7.5 135 62 A 56 ASN HBx A 63 ILE HG1y 1.0 1.8 7.0 136 62 A 56 ASN HBy A 63 ILE HG1y 1.0 1.8 7.0 137 62 A 63 ILE HG1x A 56 ASN HBx 1.0 1.8 7.0 138 62 A 63 ILE HG1x A 56 ASN HBy 1.0 1.8 7.0 139 63 A 63 ILE HG2% A 56 ASN HBx 1.0 1.8 7.5 140 63 A 63 ILE HG2% A 56 ASN HBy 1.0 1.8 7.5 141 64 A 57 CYS HA A 57 CYS HBx 1.0 1.8 4.3 142 64 A 57 CYS HBy A 57 CYS HA 1.0 1.8 4.3 143 65 A 57 CYS HA A 58 PRO HBy 1.0 1.8 6.0 144 65 A 57 CYS HA A 58 PRO HBx 1.0 1.8 6.0 145 66 A 57 CYS HA A 58 PRO HDx 1.0 1.8 3.7 146 66 A 57 CYS HA A 58 PRO HDy 1.0 1.8 3.7 147 67 A 57 CYS HA A 58 PRO HGy 1.0 1.8 6.0 148 67 A 57 CYS HA A 58 PRO HGx 1.0 1.8 6.0 149 68 A 57 CYS HA A 76 VAL HGx% 1.0 1.8 5.7 150 68 A 57 CYS HA A 76 VAL HGy% 1.0 1.8 5.7 151 69 A 57 CYS HBx A 58 PRO HDx 1.0 1.8 7.0 152 69 A 57 CYS HBy A 58 PRO HDx 1.0 1.8 7.0 153 69 A 58 PRO HDy A 57 CYS HBx 1.0 1.8 7.0 154 69 A 57 CYS HBy A 58 PRO HDy 1.0 1.8 7.0 155 70 A 61 ASP HA A 57 CYS HBx 1.0 1.8 6.0 156 70 A 57 CYS HBy A 61 ASP HA 1.0 1.8 6.0 157 71 A 57 CYS HBy A 62 LYS HBx 1.0 1.8 5.3 158 71 A 57 CYS HBx A 62 LYS HBx 1.0 1.8 5.3 159 71 A 62 LYS HBy A 57 CYS HBx 1.0 1.8 5.3 160 71 A 57 CYS HBy A 62 LYS HBy 1.0 1.8 5.3 161 72 A 57 CYS HBx A 76 VAL HGx% 1.0 1.8 6.7 162 72 A 57 CYS HBy A 76 VAL HGx% 1.0 1.8 6.7 163 72 A 76 VAL HGy% A 57 CYS HBx 1.0 1.8 6.7 164 72 A 57 CYS HBy A 76 VAL HGy% 1.0 1.8 6.7 165 73 A 58 PRO HA A 58 PRO HBy 1.0 1.8 3.7 166 73 A 58 PRO HBx A 58 PRO HA 1.0 1.8 3.7 167 74 A 58 PRO HA A 58 PRO HDx 1.0 1.8 6.0 168 74 A 58 PRO HDy A 58 PRO HA 1.0 1.8 6.0 169 75 A 58 PRO HA A 58 PRO HGy 1.0 1.8 4.3 170 75 A 58 PRO HGx A 58 PRO HA 1.0 1.8 4.3 171 76 A 58 PRO HA A 59 ILE HA 1.0 1.8 5.0 172 77 A 58 PRO HA A 59 ILE HD1% 1.0 1.8 7.4 173 78 A 58 PRO HBx A 58 PRO HDx 1.0 1.8 7.0 174 78 A 58 PRO HBy A 58 PRO HDx 1.0 1.8 7.0 175 78 A 58 PRO HDy A 58 PRO HBy 1.0 1.8 7.0 176 78 A 58 PRO HBx A 58 PRO HDy 1.0 1.8 7.0 177 79 A 58 PRO HBy A 58 PRO HGy 1.0 1.8 4.7 178 79 A 58 PRO HGx A 58 PRO HBy 1.0 1.8 4.7 179 79 A 58 PRO HBx A 58 PRO HGx 1.0 1.8 4.7 180 79 A 58 PRO HBx A 58 PRO HGy 1.0 1.8 4.7 181 80 A 59 ILE HD1% A 58 PRO HBy 1.0 1.8 5.8 182 80 A 58 PRO HBx A 59 ILE HD1% 1.0 1.8 5.8 183 81 A 58 PRO HBx A 59 ILE HG1x 1.0 1.8 7.0 184 81 A 58 PRO HBy A 59 ILE HG1x 1.0 1.8 7.0 185 81 A 59 ILE HG1y A 58 PRO HBy 1.0 1.8 7.0 186 81 A 58 PRO HBx A 59 ILE HG1y 1.0 1.8 7.0 187 82 A 58 PRO HDx A 58 PRO HGy 1.0 1.8 5.3 188 82 A 58 PRO HDy A 58 PRO HGy 1.0 1.8 5.3 189 82 A 58 PRO HGx A 58 PRO HDx 1.0 1.8 5.3 190 82 A 58 PRO HDy A 58 PRO HGx 1.0 1.8 5.3 191 83 A 59 ILE HD1% A 58 PRO HDx 1.0 1.8 7.5 192 83 A 58 PRO HDy A 59 ILE HD1% 1.0 1.8 7.5 193 84 A 58 PRO HDx A 76 VAL HGx% 1.0 1.8 6.7 194 84 A 58 PRO HDy A 76 VAL HGx% 1.0 1.8 6.7 195 84 A 76 VAL HGy% A 58 PRO HDx 1.0 1.8 6.7 196 84 A 58 PRO HDy A 76 VAL HGy% 1.0 1.8 6.7 197 85 A 59 ILE HB A 58 PRO HGy 1.0 1.8 6.0 198 85 A 58 PRO HGx A 59 ILE HB 1.0 1.8 6.0 199 86 A 59 ILE HD1% A 58 PRO HGy 1.0 1.8 5.8 200 86 A 58 PRO HGx A 59 ILE HD1% 1.0 1.8 5.8 201 87 A 58 PRO HGy A 59 ILE HG1x 1.0 1.8 7.0 202 87 A 58 PRO HGx A 59 ILE HG1x 1.0 1.8 7.0 203 87 A 59 ILE HG1y A 58 PRO HGy 1.0 1.8 7.0 204 87 A 58 PRO HGx A 59 ILE HG1y 1.0 1.8 7.0 205 88 A 58 PRO HGy A 76 VAL HGx% 1.0 1.8 6.7 206 88 A 58 PRO HGx A 76 VAL HGx% 1.0 1.8 6.7 207 88 A 76 VAL HGy% A 58 PRO HGy 1.0 1.8 6.7 208 88 A 58 PRO HGx A 76 VAL HGy% 1.0 1.8 6.7 209 89 A 59 ILE HA A 59 ILE HB 1.0 1.8 3.3 210 90 A 59 ILE HA A 59 ILE HD1% 1.0 1.8 4.2 211 91 A 59 ILE HA A 59 ILE HG1x 1.0 1.8 4.3 212 91 A 59 ILE HA A 59 ILE HG1y 1.0 1.8 4.3 213 92 A 59 ILE HA A 59 ILE HG2% 1.0 1.8 4.2 214 93 A 59 ILE HA A 60 CYS HA 1.0 1.8 5.0 215 94 A 59 ILE HD1% A 59 ILE HB 1.0 1.8 4.2 216 95 A 59 ILE HB A 59 ILE HG1x 1.0 1.8 3.7 217 95 A 59 ILE HG1y A 59 ILE HB 1.0 1.8 3.7 218 96 A 59 ILE HB A 59 ILE HG2% 1.0 1.8 4.2 219 97 A 59 ILE HB A 60 CYS HA 1.0 1.8 5.0 220 98 A 59 ILE HB A 60 CYS HBy 1.0 1.8 6.0 221 98 A 59 ILE HB A 60 CYS HBx 1.0 1.8 6.0 222 99 A 59 ILE HB A 76 VAL HGx% 1.0 1.8 7.4 223 99 A 76 VAL HGy% A 59 ILE HB 1.0 1.8 7.4 224 100 A 59 ILE HB A 79 HIS HBy 1.0 1.8 6.0 225 100 A 59 ILE HB A 79 HIS HBx 1.0 1.8 6.0 226 101 A 59 ILE HD1% A 59 ILE HG1x 1.0 1.8 5.2 227 101 A 59 ILE HD1% A 59 ILE HG1y 1.0 1.8 5.2 228 102 A 59 ILE HD1% A 59 ILE HG2% 1.0 1.8 5.7 229 103 A 59 ILE HD1% A 76 VAL HA 1.0 1.8 4.8 230 104 A 59 ILE HD1% A 76 VAL HGx% 1.0 1.8 6.6 231 104 A 76 VAL HGy% A 59 ILE HD1% 1.0 1.8 6.6 232 105 A 59 ILE HD1% A 79 HIS HA 1.0 1.8 4.8 233 106 A 59 ILE HD1% A 79 HIS HBy 1.0 1.8 5.8 234 106 A 59 ILE HD1% A 79 HIS HBx 1.0 1.8 5.8 235 107 A 59 ILE HD1% A 80 SER HA 1.0 1.8 6.5 236 108 A 59 ILE HG2% A 59 ILE HG1x 1.0 1.8 5.2 237 108 A 59 ILE HG1y A 59 ILE HG2% 1.0 1.8 5.2 238 109 A 59 ILE HG1y A 76 VAL HGx% 1.0 1.8 6.1 239 109 A 59 ILE HG1x A 76 VAL HGx% 1.0 1.8 6.1 240 109 A 76 VAL HGy% A 59 ILE HG1x 1.0 1.8 6.1 241 109 A 76 VAL HGy% A 59 ILE HG1y 1.0 1.8 6.1 242 110 A 79 HIS HA A 59 ILE HG1x 1.0 1.8 6.0 243 110 A 59 ILE HG1y A 79 HIS HA 1.0 1.8 6.0 244 111 A 59 ILE HG1x A 79 HIS HBy 1.0 1.8 7.0 245 111 A 59 ILE HG1y A 79 HIS HBy 1.0 1.8 7.0 246 111 A 79 HIS HBx A 59 ILE HG1x 1.0 1.8 7.0 247 111 A 59 ILE HG1y A 79 HIS HBx 1.0 1.8 7.0 248 112 A 59 ILE HG2% A 60 CYS HA 1.0 1.8 4.8 249 113 A 59 ILE HG2% A 60 CYS HBy 1.0 1.8 5.8 250 113 A 59 ILE HG2% A 60 CYS HBx 1.0 1.8 5.8 251 114 A 59 ILE HG2% A 79 HIS HA 1.0 1.8 6.5 252 115 A 59 ILE HG2% A 79 HIS HBy 1.0 1.8 5.8 253 115 A 59 ILE HG2% A 79 HIS HBx 1.0 1.8 5.8 254 116 A 60 CYS HA A 60 CYS HBy 1.0 1.8 3.7 255 116 A 60 CYS HA A 60 CYS HBx 1.0 1.8 3.7 256 117 A 60 CYS HA A 61 ASP HBx 1.0 1.8 6.0 257 117 A 60 CYS HA A 61 ASP HBy 1.0 1.8 6.0 258 118 A 61 ASP HA A 61 ASP HBx 1.0 1.8 3.7 259 118 A 61 ASP HA A 61 ASP HBy 1.0 1.8 3.7 260 119 A 62 LYS HA A 62 LYS HBx 1.0 1.8 3.7 261 119 A 62 LYS HBy A 62 LYS HA 1.0 1.8 3.7 262 120 A 62 LYS HA A 62 LYS HDx 1.0 1.8 4.3 263 120 A 62 LYS HA A 62 LYS HDy 1.0 1.8 4.3 264 121 A 62 LYS HA A 62 LYS HEx 1.0 1.8 6.0 265 121 A 62 LYS HA A 62 LYS HEy 1.0 1.8 6.0 266 122 A 62 LYS HA A 62 LYS HGy 1.0 1.8 3.7 267 122 A 62 LYS HA A 62 LYS HGx 1.0 1.8 3.7 268 123 A 63 ILE HA A 62 LYS HA 1.0 1.8 5.0 269 124 A 63 ILE HB A 62 LYS HA 1.0 1.8 5.0 270 125 A 63 ILE HD1% A 62 LYS HA 1.0 1.8 6.5 271 126 A 62 LYS HA A 63 ILE HG1y 1.0 1.8 6.0 272 126 A 63 ILE HG1x A 62 LYS HA 1.0 1.8 6.0 273 127 A 63 ILE HG2% A 62 LYS HA 1.0 1.8 6.5 274 128 A 62 LYS HBx A 62 LYS HDx 1.0 1.8 4.7 275 128 A 62 LYS HBy A 62 LYS HDx 1.0 1.8 4.7 276 128 A 62 LYS HDy A 62 LYS HBx 1.0 1.8 4.7 277 128 A 62 LYS HBy A 62 LYS HDy 1.0 1.8 4.7 278 129 A 62 LYS HBx A 62 LYS HEx 1.0 1.8 5.3 279 129 A 62 LYS HBy A 62 LYS HEx 1.0 1.8 5.3 280 129 A 62 LYS HEy A 62 LYS HBx 1.0 1.8 5.3 281 129 A 62 LYS HBy A 62 LYS HEy 1.0 1.8 5.3 282 130 A 62 LYS HBy A 62 LYS HGy 1.0 1.8 4.7 283 130 A 62 LYS HBx A 62 LYS HGy 1.0 1.8 4.7 284 130 A 62 LYS HGx A 62 LYS HBx 1.0 1.8 4.7 285 130 A 62 LYS HBy A 62 LYS HGx 1.0 1.8 4.7 286 131 A 62 LYS HDx A 62 LYS HEx 1.0 1.8 5.3 287 131 A 62 LYS HDy A 62 LYS HEx 1.0 1.8 5.3 288 131 A 62 LYS HEy A 62 LYS HDx 1.0 1.8 5.3 289 131 A 62 LYS HDy A 62 LYS HEy 1.0 1.8 5.3 290 132 A 62 LYS HDx A 62 LYS HGy 1.0 1.8 4.7 291 132 A 62 LYS HDy A 62 LYS HGy 1.0 1.8 4.7 292 132 A 62 LYS HGx A 62 LYS HDx 1.0 1.8 4.7 293 132 A 62 LYS HDy A 62 LYS HGx 1.0 1.8 4.7 294 133 A 62 LYS HEy A 62 LYS HGy 1.0 1.8 5.3 295 133 A 62 LYS HEx A 62 LYS HGy 1.0 1.8 5.3 296 133 A 62 LYS HGx A 62 LYS HEx 1.0 1.8 5.3 297 133 A 62 LYS HEy A 62 LYS HGx 1.0 1.8 5.3 298 134 A 63 ILE HA A 63 ILE HB 1.0 1.8 3.3 299 135 A 63 ILE HA A 63 ILE HD1% 1.0 1.8 4.2 300 136 A 63 ILE HA A 63 ILE HG1y 1.0 1.8 4.3 301 136 A 63 ILE HA A 63 ILE HG1x 1.0 1.8 4.3 302 137 A 63 ILE HG2% A 63 ILE HA 1.0 1.8 4.2 303 138 A 63 ILE HB A 63 ILE HD1% 1.0 1.8 4.2 304 139 A 63 ILE HB A 63 ILE HG1y 1.0 1.8 3.7 305 139 A 63 ILE HB A 63 ILE HG1x 1.0 1.8 3.7 306 140 A 63 ILE HG2% A 63 ILE HB 1.0 1.8 4.2 307 141 A 63 ILE HD1% A 63 ILE HG1y 1.0 1.8 5.2 308 141 A 63 ILE HD1% A 63 ILE HG1x 1.0 1.8 5.2 309 142 A 63 ILE HG2% A 63 ILE HG1y 1.0 1.8 5.2 310 142 A 63 ILE HG2% A 63 ILE HG1x 1.0 1.8 5.2 311 143 A 63 ILE HG2% A 65 PRO HA 1.0 1.8 6.5 312 144 A 63 ILE HG2% A 65 PRO HDy 1.0 1.8 7.5 313 144 A 63 ILE HG2% A 65 PRO HDx 1.0 1.8 7.5 314 145 A 64 PHE HA A 64 PHE HBy 1.0 1.8 4.3 315 145 A 64 PHE HBx A 64 PHE HA 1.0 1.8 4.3 316 146 A 65 PRO HA A 64 PHE HA 1.0 1.8 5.0 317 147 A 64 PHE HA A 65 PRO HBy 1.0 1.8 6.0 318 147 A 64 PHE HA A 65 PRO HBx 1.0 1.8 6.0 319 148 A 64 PHE HA A 65 PRO HDy 1.0 1.8 3.7 320 148 A 65 PRO HDx A 64 PHE HA 1.0 1.8 3.7 321 149 A 64 PHE HA A 65 PRO HGx 1.0 1.8 4.3 322 149 A 64 PHE HA A 65 PRO HGy 1.0 1.8 4.3 323 150 A 64 PHE HBx A 65 PRO HDy 1.0 1.8 5.3 324 150 A 65 PRO HDx A 64 PHE HBy 1.0 1.8 5.3 325 150 A 64 PHE HBx A 65 PRO HDx 1.0 1.8 5.3 326 150 A 64 PHE HBy A 65 PRO HDy 1.0 1.8 5.3 327 151 A 64 PHE HBx A 68 GLU HBy 1.0 1.8 5.3 328 151 A 64 PHE HBy A 68 GLU HBy 1.0 1.8 5.3 329 151 A 68 GLU HBx A 64 PHE HBy 1.0 1.8 5.3 330 151 A 64 PHE HBx A 68 GLU HBx 1.0 1.8 5.3 331 152 A 64 PHE HBx A 72 PHE HBy 1.0 1.8 7.0 332 152 A 64 PHE HBy A 72 PHE HBy 1.0 1.8 7.0 333 152 A 72 PHE HBx A 64 PHE HBy 1.0 1.8 7.0 334 152 A 64 PHE HBx A 72 PHE HBx 1.0 1.8 7.0 335 153 A 65 PRO HA A 65 PRO HBy 1.0 1.8 3.7 336 153 A 65 PRO HA A 65 PRO HBx 1.0 1.8 3.7 337 154 A 65 PRO HA A 65 PRO HDy 1.0 1.8 4.3 338 154 A 65 PRO HA A 65 PRO HDx 1.0 1.8 4.3 339 155 A 65 PRO HA A 65 PRO HGx 1.0 1.8 3.7 340 155 A 65 PRO HA A 65 PRO HGy 1.0 1.8 3.7 341 156 A 65 PRO HA A 66 ALA HA 1.0 1.8 5.0 342 157 A 66 ALA HB% A 65 PRO HA 1.0 1.8 6.5 343 158 A 65 PRO HBy A 65 PRO HDy 1.0 1.8 5.3 344 158 A 65 PRO HBx A 65 PRO HDy 1.0 1.8 5.3 345 158 A 65 PRO HDx A 65 PRO HBy 1.0 1.8 5.3 346 158 A 65 PRO HDx A 65 PRO HBx 1.0 1.8 5.3 347 159 A 65 PRO HBx A 65 PRO HGx 1.0 1.8 4.7 348 159 A 65 PRO HBy A 65 PRO HGx 1.0 1.8 4.7 349 159 A 65 PRO HGy A 65 PRO HBy 1.0 1.8 4.7 350 159 A 65 PRO HBx A 65 PRO HGy 1.0 1.8 4.7 351 160 A 66 ALA HB% A 65 PRO HBy 1.0 1.8 7.5 352 160 A 66 ALA HB% A 65 PRO HBx 1.0 1.8 7.5 353 161 A 67 THR HG2% A 65 PRO HBy 1.0 1.8 5.8 354 161 A 65 PRO HBx A 67 THR HG2% 1.0 1.8 5.8 355 162 A 65 PRO HDx A 65 PRO HGx 1.0 1.8 4.7 356 162 A 65 PRO HDy A 65 PRO HGx 1.0 1.8 4.7 357 162 A 65 PRO HGy A 65 PRO HDy 1.0 1.8 4.7 358 162 A 65 PRO HDx A 65 PRO HGy 1.0 1.8 4.7 359 163 A 65 PRO HDy A 68 GLU HBy 1.0 1.8 7.0 360 163 A 65 PRO HDx A 68 GLU HBy 1.0 1.8 7.0 361 163 A 68 GLU HBx A 65 PRO HDy 1.0 1.8 7.0 362 163 A 65 PRO HDx A 68 GLU HBx 1.0 1.8 7.0 363 164 A 65 PRO HDy A 68 GLU HGy 1.0 1.8 7.0 364 164 A 68 GLU HGx A 65 PRO HDy 1.0 1.8 7.0 365 164 A 65 PRO HDx A 68 GLU HGx 1.0 1.8 7.0 366 164 A 65 PRO HDx A 68 GLU HGy 1.0 1.8 7.0 367 165 A 66 ALA HB% A 66 ALA HA 1.0 1.8 4.2 368 166 A 66 ALA HA A 67 THR HG2% 1.0 1.8 6.5 369 167 A 66 ALA HB% A 67 THR HA 1.0 1.8 6.5 370 168 A 66 ALA HB% A 67 THR HB 1.0 1.8 6.5 371 169 A 67 THR HA A 67 THR HB 1.0 1.8 2.7 372 170 A 67 THR HG2% A 67 THR HA 1.0 1.8 4.2 373 171 A 67 THR HA A 68 GLU HA 1.0 1.8 5.0 374 172 A 67 THR HG2% A 67 THR HB 1.0 1.8 4.2 375 173 A 67 THR HB A 68 GLU HA 1.0 1.8 5.0 376 174 A 67 THR HB A 68 GLU HBy 1.0 1.8 6.0 377 174 A 68 GLU HBx A 67 THR HB 1.0 1.8 6.0 378 175 A 67 THR HB A 68 GLU HGy 1.0 1.8 6.0 379 175 A 68 GLU HGx A 67 THR HB 1.0 1.8 6.0 380 176 A 67 THR HG2% A 68 GLU HA 1.0 1.8 6.5 381 177 A 67 THR HG2% A 68 GLU HGy 1.0 1.8 7.5 382 177 A 67 THR HG2% A 68 GLU HGx 1.0 1.8 7.5 383 178 A 68 GLU HA A 68 GLU HBy 1.0 1.8 3.7 384 178 A 68 GLU HBx A 68 GLU HA 1.0 1.8 3.7 385 179 A 68 GLU HA A 68 GLU HGy 1.0 1.8 3.7 386 179 A 68 GLU HGx A 68 GLU HA 1.0 1.8 3.7 387 180 A 68 GLU HA A 71 ILE HB 1.0 1.8 5.0 388 181 A 68 GLU HA A 71 ILE HD1% 1.0 1.8 4.8 389 182 A 68 GLU HA A 71 ILE HG1x 1.0 1.8 6.0 390 182 A 68 GLU HA A 71 ILE HG1y 1.0 1.8 6.0 391 183 A 68 GLU HA A 71 ILE HG2% 1.0 1.8 6.5 392 184 A 68 GLU HBy A 68 GLU HGy 1.0 1.8 4.7 393 184 A 68 GLU HBx A 68 GLU HGy 1.0 1.8 4.7 394 184 A 68 GLU HGx A 68 GLU HBy 1.0 1.8 4.7 395 184 A 68 GLU HBx A 68 GLU HGx 1.0 1.8 4.7 396 185 A 71 ILE HB A 68 GLU HBy 1.0 1.8 6.0 397 185 A 68 GLU HBx A 71 ILE HB 1.0 1.8 6.0 398 186 A 71 ILE HD1% A 68 GLU HBy 1.0 1.8 5.8 399 186 A 68 GLU HBx A 71 ILE HD1% 1.0 1.8 5.8 400 187 A 68 GLU HBx A 71 ILE HG1x 1.0 1.8 7.0 401 187 A 71 ILE HG1y A 68 GLU HBy 1.0 1.8 7.0 402 187 A 68 GLU HBx A 71 ILE HG1y 1.0 1.8 7.0 403 187 A 68 GLU HBy A 71 ILE HG1x 1.0 1.8 7.0 404 188 A 71 ILE HG2% A 68 GLU HBy 1.0 1.8 5.8 405 188 A 68 GLU HBx A 71 ILE HG2% 1.0 1.8 5.8 406 189 A 71 ILE HB A 68 GLU HGy 1.0 1.8 6.0 407 189 A 68 GLU HGx A 71 ILE HB 1.0 1.8 6.0 408 190 A 71 ILE HD1% A 68 GLU HGy 1.0 1.8 5.8 409 190 A 68 GLU HGx A 71 ILE HD1% 1.0 1.8 5.8 410 191 A 68 GLU HGy A 71 ILE HG1x 1.0 1.8 7.0 411 191 A 68 GLU HGx A 71 ILE HG1x 1.0 1.8 7.0 412 191 A 71 ILE HG1y A 68 GLU HGy 1.0 1.8 7.0 413 191 A 68 GLU HGx A 71 ILE HG1y 1.0 1.8 7.0 414 192 A 71 ILE HG2% A 68 GLU HGy 1.0 1.8 7.5 415 192 A 68 GLU HGx A 71 ILE HG2% 1.0 1.8 7.5 416 193 A 69 LYS HA A 69 LYS HBx 1.0 1.8 3.7 417 193 A 69 LYS HA A 69 LYS HBy 1.0 1.8 3.7 418 194 A 69 LYS HA A 69 LYS HDx 1.0 1.8 4.3 419 194 A 69 LYS HA A 69 LYS HDy 1.0 1.8 4.3 420 195 A 69 LYS HA A 69 LYS HEx 1.0 1.8 6.9 421 195 A 69 LYS HA A 69 LYS HEy 1.0 1.8 6.9 422 196 A 69 LYS HA A 69 LYS HGx 1.0 1.8 4.3 423 196 A 69 LYS HA A 69 LYS HGy 1.0 1.8 4.3 424 197 A 69 LYS HA A 72 PHE HBy 1.0 1.8 4.3 425 197 A 72 PHE HBx A 69 LYS HA 1.0 1.8 4.3 426 198 A 69 LYS HBx A 69 LYS HDx 1.0 1.8 4.7 427 198 A 69 LYS HBy A 69 LYS HDx 1.0 1.8 4.7 428 198 A 69 LYS HDy A 69 LYS HBx 1.0 1.8 4.7 429 198 A 69 LYS HBy A 69 LYS HDy 1.0 1.8 4.7 430 199 A 69 LYS HBy A 69 LYS HEx 1.0 1.8 7.9 431 199 A 69 LYS HBx A 69 LYS HEx 1.0 1.8 7.9 432 199 A 69 LYS HEy A 69 LYS HBx 1.0 1.8 7.9 433 199 A 69 LYS HBy A 69 LYS HEy 1.0 1.8 7.9 434 200 A 69 LYS HBy A 69 LYS HGx 1.0 1.8 5.3 435 200 A 69 LYS HBx A 69 LYS HGx 1.0 1.8 5.3 436 200 A 69 LYS HGy A 69 LYS HBx 1.0 1.8 5.3 437 200 A 69 LYS HBy A 69 LYS HGy 1.0 1.8 5.3 438 201 A 69 LYS HDy A 69 LYS HEx 1.0 1.8 5.3 439 201 A 69 LYS HDx A 69 LYS HEx 1.0 1.8 5.3 440 201 A 69 LYS HEy A 69 LYS HDx 1.0 1.8 5.3 441 201 A 69 LYS HDy A 69 LYS HEy 1.0 1.8 5.3 442 202 A 69 LYS HDx A 69 LYS HGx 1.0 1.8 5.3 443 202 A 69 LYS HDy A 69 LYS HGx 1.0 1.8 5.3 444 202 A 69 LYS HGy A 69 LYS HDx 1.0 1.8 5.3 445 202 A 69 LYS HDy A 69 LYS HGy 1.0 1.8 5.3 446 203 A 69 LYS HEx A 69 LYS HGx 1.0 1.8 5.3 447 203 A 69 LYS HEy A 69 LYS HGx 1.0 1.8 5.3 448 203 A 69 LYS HGy A 69 LYS HEx 1.0 1.8 5.3 449 203 A 69 LYS HEy A 69 LYS HGy 1.0 1.8 5.3 450 204 A 69 LYS HEx A 73 GLU HGx 1.0 1.8 7.0 451 204 A 69 LYS HEy A 73 GLU HGx 1.0 1.8 7.0 452 204 A 73 GLU HGy A 69 LYS HEx 1.0 1.8 7.0 453 204 A 69 LYS HEy A 73 GLU HGy 1.0 1.8 7.0 454 205 A 70 GLN HA A 69 LYS HGx 1.0 1.8 6.0 455 205 A 69 LYS HGy A 70 GLN HA 1.0 1.8 6.0 456 206 A 69 LYS HGy A 73 GLU HGx 1.0 1.8 5.3 457 206 A 73 GLU HGy A 69 LYS HGx 1.0 1.8 5.3 458 206 A 69 LYS HGy A 73 GLU HGy 1.0 1.8 5.3 459 206 A 69 LYS HGx A 73 GLU HGx 1.0 1.8 5.3 460 207 A 70 GLN HA A 70 GLN HBx 1.0 1.8 3.7 461 207 A 70 GLN HA A 70 GLN HBy 1.0 1.8 3.7 462 208 A 70 GLN HA A 70 GLN HGx 1.0 1.8 3.7 463 208 A 70 GLN HA A 70 GLN HGy 1.0 1.8 3.7 464 209 A 70 GLN HA A 73 GLU HBx 1.0 1.8 6.0 465 209 A 70 GLN HA A 73 GLU HBy 1.0 1.8 6.0 466 210 A 70 GLN HA A 73 GLU HGx 1.0 1.8 4.3 467 210 A 73 GLU HGy A 70 GLN HA 1.0 1.8 4.3 468 211 A 70 GLN HBy A 70 GLN HGx 1.0 1.8 4.7 469 211 A 70 GLN HGy A 70 GLN HBx 1.0 1.8 4.7 470 211 A 70 GLN HBy A 70 GLN HGy 1.0 1.8 4.7 471 211 A 70 GLN HBx A 70 GLN HGx 1.0 1.8 4.7 472 212 A 71 ILE HA A 70 GLN HGx 1.0 1.8 6.0 473 212 A 70 GLN HGy A 71 ILE HA 1.0 1.8 6.0 474 213 A 70 GLN HGy A 71 ILE HG1x 1.0 1.8 7.0 475 213 A 70 GLN HGx A 71 ILE HG1x 1.0 1.8 7.0 476 213 A 71 ILE HG1y A 70 GLN HGx 1.0 1.8 7.0 477 213 A 71 ILE HG1y A 70 GLN HGy 1.0 1.8 7.0 478 214 A 71 ILE HB A 71 ILE HA 1.0 1.8 3.3 479 215 A 71 ILE HD1% A 71 ILE HA 1.0 1.8 4.8 480 216 A 71 ILE HA A 71 ILE HG1x 1.0 1.8 4.3 481 216 A 71 ILE HG1y A 71 ILE HA 1.0 1.8 4.3 482 217 A 71 ILE HG2% A 71 ILE HA 1.0 1.8 4.2 483 218 A 71 ILE HA A 74 ASP HBy 1.0 1.8 4.3 484 218 A 71 ILE HA A 74 ASP HBx 1.0 1.8 4.3 485 219 A 71 ILE HB A 71 ILE HD1% 1.0 1.8 4.2 486 220 A 71 ILE HB A 71 ILE HG1x 1.0 1.8 4.3 487 220 A 71 ILE HB A 71 ILE HG1y 1.0 1.8 4.3 488 221 A 71 ILE HB A 71 ILE HG2% 1.0 1.8 4.2 489 222 A 71 ILE HD1% A 71 ILE HG1x 1.0 1.8 5.2 490 222 A 71 ILE HD1% A 71 ILE HG1y 1.0 1.8 5.2 491 223 A 71 ILE HD1% A 71 ILE HG2% 1.0 1.8 5.7 492 224 A 71 ILE HG2% A 71 ILE HG1x 1.0 1.8 5.2 493 224 A 71 ILE HG1y A 71 ILE HG2% 1.0 1.8 5.2 494 225 A 71 ILE HG2% A 72 PHE HA 1.0 1.8 6.5 495 226 A 71 ILE HG2% A 74 ASP HBy 1.0 1.8 7.5 496 226 A 71 ILE HG2% A 74 ASP HBx 1.0 1.8 7.5 497 227 A 71 ILE HG2% A 75 HIS HBx 1.0 1.8 7.5 498 227 A 71 ILE HG2% A 75 HIS HBy 1.0 1.8 7.5 499 228 A 72 PHE HA A 72 PHE HBy 1.0 1.8 3.7 500 228 A 72 PHE HBx A 72 PHE HA 1.0 1.8 3.7 501 229 A 72 PHE HA A 75 HIS HBx 1.0 1.8 4.3 502 229 A 72 PHE HA A 75 HIS HBy 1.0 1.8 4.3 503 230 A 72 PHE HBy A 75 HIS HBx 1.0 1.8 7.0 504 230 A 72 PHE HBx A 75 HIS HBx 1.0 1.8 7.0 505 230 A 75 HIS HBy A 72 PHE HBy 1.0 1.8 7.0 506 230 A 72 PHE HBx A 75 HIS HBy 1.0 1.8 7.0 507 231 A 73 GLU HA A 73 GLU HBx 1.0 1.8 3.7 508 231 A 73 GLU HBy A 73 GLU HA 1.0 1.8 3.7 509 232 A 73 GLU HA A 73 GLU HGx 1.0 1.8 3.7 510 232 A 73 GLU HGy A 73 GLU HA 1.0 1.8 3.7 511 233 A 73 GLU HA A 76 VAL HB 1.0 1.8 3.3 512 234 A 73 GLU HA A 76 VAL HGx% 1.0 1.8 5.7 513 234 A 76 VAL HGy% A 73 GLU HA 1.0 1.8 5.7 514 235 A 73 GLU HBx A 73 GLU HGx 1.0 1.8 4.7 515 235 A 73 GLU HBy A 73 GLU HGx 1.0 1.8 4.7 516 235 A 73 GLU HGy A 73 GLU HBx 1.0 1.8 4.7 517 235 A 73 GLU HGy A 73 GLU HBy 1.0 1.8 4.7 518 236 A 74 ASP HA A 74 ASP HBy 1.0 1.8 3.7 519 236 A 74 ASP HBx A 74 ASP HA 1.0 1.8 3.7 520 237 A 74 ASP HA A 77 PHE HBx 1.0 1.8 3.7 521 237 A 74 ASP HA A 77 PHE HBy 1.0 1.8 3.7 522 238 A 75 HIS HA A 75 HIS HBx 1.0 1.8 3.7 523 238 A 75 HIS HBy A 75 HIS HA 1.0 1.8 3.7 524 239 A 75 HIS HA A 78 CYS HBx 1.0 1.8 4.3 525 239 A 75 HIS HA A 78 CYS HBy 1.0 1.8 4.3 526 240 A 76 VAL HA A 76 VAL HB 1.0 1.8 3.3 527 241 A 76 VAL HA A 76 VAL HGx% 1.0 1.8 4.4 528 241 A 76 VAL HGy% A 76 VAL HA 1.0 1.8 4.4 529 242 A 76 VAL HA A 79 HIS HBy 1.0 1.8 4.3 530 242 A 79 HIS HBx A 76 VAL HA 1.0 1.8 4.3 531 243 A 76 VAL HB A 76 VAL HGx% 1.0 1.8 4.4 532 243 A 76 VAL HGy% A 76 VAL HB 1.0 1.8 4.4 533 244 A 77 PHE HA A 76 VAL HGx% 1.0 1.8 5.7 534 244 A 76 VAL HGy% A 77 PHE HA 1.0 1.8 5.7 535 245 A 76 VAL HGy% A 77 PHE HBx 1.0 1.8 6.7 536 245 A 77 PHE HBy A 76 VAL HGx% 1.0 1.8 6.7 537 245 A 76 VAL HGy% A 77 PHE HBy 1.0 1.8 6.7 538 245 A 76 VAL HGx% A 77 PHE HBx 1.0 1.8 6.7 539 246 A 76 VAL HGy% A 79 HIS HBy 1.0 1.8 8.4 540 246 A 79 HIS HBx A 76 VAL HGx% 1.0 1.8 8.4 541 246 A 76 VAL HGy% A 79 HIS HBx 1.0 1.8 8.4 542 246 A 76 VAL HGx% A 79 HIS HBy 1.0 1.8 8.4 543 247 A 77 PHE HA A 77 PHE HBx 1.0 1.8 3.7 544 247 A 77 PHE HBy A 77 PHE HA 1.0 1.8 3.7 545 248 A 77 PHE HA A 80 SER HBx 1.0 1.8 4.3 546 248 A 77 PHE HA A 80 SER HBy 1.0 1.8 4.3 547 249 A 78 CYS HA A 77 PHE HBx 1.0 1.8 6.0 548 249 A 77 PHE HBy A 78 CYS HA 1.0 1.8 6.0 549 250 A 77 PHE HBx A 81 LEU HDx% 1.0 1.8 8.4 550 250 A 77 PHE HBy A 81 LEU HDx% 1.0 1.8 8.4 551 250 A 81 LEU HDy% A 77 PHE HBx 1.0 1.8 8.4 552 250 A 77 PHE HBy A 81 LEU HDy% 1.0 1.8 8.4 553 251 A 78 CYS HA A 78 CYS HBx 1.0 1.8 3.7 554 251 A 78 CYS HBy A 78 CYS HA 1.0 1.8 3.7 555 252 A 78 CYS HA A 81 LEU HBx 1.0 1.8 6.0 556 252 A 78 CYS HA A 81 LEU HBy 1.0 1.8 6.0 557 253 A 78 CYS HA A 81 LEU HDx% 1.0 1.8 5.1 558 253 A 78 CYS HA A 81 LEU HDy% 1.0 1.8 5.1 559 254 A 78 CYS HA A 81 LEU HG 1.0 1.8 2.7 560 255 A 78 CYS HBx A 81 LEU HDx% 1.0 1.8 8.4 561 255 A 78 CYS HBy A 81 LEU HDx% 1.0 1.8 8.4 562 255 A 81 LEU HDy% A 78 CYS HBx 1.0 1.8 8.4 563 255 A 78 CYS HBy A 81 LEU HDy% 1.0 1.8 8.4 564 256 A 81 LEU HG A 78 CYS HBx 1.0 1.8 6.0 565 256 A 78 CYS HBy A 81 LEU HG 1.0 1.8 6.0 566 257 A 79 HIS HA A 79 HIS HBy 1.0 1.8 3.7 567 257 A 79 HIS HBx A 79 HIS HA 1.0 1.8 3.7 568 258 A 80 SER HA A 79 HIS HBy 1.0 1.8 6.0 569 258 A 79 HIS HBx A 80 SER HA 1.0 1.8 6.0 570 259 A 80 SER HA A 80 SER HBx 1.0 1.8 3.7 571 259 A 80 SER HA A 80 SER HBy 1.0 1.8 3.7 572 260 A 80 SER HA A 81 LEU HDx% 1.0 1.8 7.4 573 260 A 80 SER HA A 81 LEU HDy% 1.0 1.8 7.4 574 261 A 80 SER HA A 81 LEU HG 1.0 1.8 5.0 575 262 A 80 SER HBx A 81 LEU HDx% 1.0 1.8 8.4 576 262 A 80 SER HBy A 81 LEU HDx% 1.0 1.8 8.4 577 262 A 81 LEU HDy% A 80 SER HBx 1.0 1.8 8.4 578 262 A 80 SER HBy A 81 LEU HDy% 1.0 1.8 8.4 579 263 A 81 LEU HA A 81 LEU HBx 1.0 1.8 3.7 580 263 A 81 LEU HBy A 81 LEU HA 1.0 1.8 3.7 581 264 A 81 LEU HA A 81 LEU HDx% 1.0 1.8 4.4 582 264 A 81 LEU HDy% A 81 LEU HA 1.0 1.8 4.4 583 265 A 81 LEU HG A 81 LEU HA 1.0 1.8 2.7 584 266 A 81 LEU HBx A 81 LEU HDx% 1.0 1.8 6.1 585 266 A 81 LEU HBy A 81 LEU HDx% 1.0 1.8 6.1 586 266 A 81 LEU HDy% A 81 LEU HBx 1.0 1.8 6.1 587 266 A 81 LEU HDy% A 81 LEU HBy 1.0 1.8 6.1 588 267 A 81 LEU HG A 81 LEU HBx 1.0 1.8 3.7 589 267 A 81 LEU HBy A 81 LEU HG 1.0 1.8 3.7 590 268 A 81 LEU HG A 81 LEU HDx% 1.0 1.8 4.4 591 268 A 81 LEU HDy% A 81 LEU HG 1.0 1.8 4.4 592 269 A 49 GLN HA A 49 GLN HE2y 1.0 1.8 6.0 593 269 A 49 GLN HA A 49 GLN HE2x 1.0 1.8 6.0 594 270 A 49 GLN HA A 50 MET H 1.0 1.8 3.5 595 271 A 49 GLN HBx A 49 GLN HE2y 1.0 1.8 7.0 596 271 A 49 GLN HBy A 49 GLN HE2y 1.0 1.8 7.0 597 271 A 49 GLN HE2x A 49 GLN HBy 1.0 1.8 7.0 598 271 A 49 GLN HBx A 49 GLN HE2x 1.0 1.8 7.0 599 272 A 49 GLN HE2x A 49 GLN HGx 1.0 1.8 5.5 600 272 A 49 GLN HE2y A 49 GLN HGx 1.0 1.8 5.5 601 272 A 49 GLN HGy A 49 GLN HE2y 1.0 1.8 5.5 602 272 A 49 GLN HGy A 49 GLN HE2x 1.0 1.8 5.5 603 273 A 50 MET HA A 50 MET H 1.0 1.8 3.5 604 274 A 50 MET HA A 51 GLN H 1.0 1.8 3.5 605 275 A 50 MET H A 50 MET HBy 1.0 1.8 4.1 606 275 A 50 MET HBx A 50 MET H 1.0 1.8 4.1 607 276 A 51 GLN H A 50 MET HBy 1.0 1.8 4.5 608 276 A 50 MET HBx A 51 GLN H 1.0 1.8 4.5 609 277 A 50 MET H A 50 MET HGx 1.0 1.8 4.5 610 277 A 50 MET HGy A 50 MET H 1.0 1.8 4.5 611 278 A 51 GLN H A 50 MET HGx 1.0 1.8 6.0 612 278 A 50 MET HGy A 51 GLN H 1.0 1.8 6.0 613 279 A 50 MET H A 51 GLN HBy 1.0 1.8 6.0 614 279 A 51 GLN HBx A 50 MET H 1.0 1.8 6.0 615 280 A 50 MET H A 51 GLN HGx 1.0 1.8 6.0 616 280 A 51 GLN HGy A 50 MET H 1.0 1.8 6.0 617 281 A 50 MET H A 51 GLN H 1.0 1.8 5.0 618 282 A 51 GLN HA A 51 GLN H 1.0 1.8 3.5 619 283 A 51 GLN HBy A 51 GLN HE2x 1.0 1.8 7.0 620 283 A 51 GLN HBx A 51 GLN HE2x 1.0 1.8 7.0 621 283 A 51 GLN HE2y A 51 GLN HBy 1.0 1.8 7.0 622 283 A 51 GLN HBx A 51 GLN HE2y 1.0 1.8 7.0 623 284 A 51 GLN H A 51 GLN HBy 1.0 1.8 4.1 624 284 A 51 GLN HBx A 51 GLN H 1.0 1.8 4.1 625 285 A 54 CYS H A 51 GLN HBy 1.0 1.8 6.0 626 285 A 51 GLN HBx A 54 CYS H 1.0 1.8 6.0 627 286 A 51 GLN HE2x A 51 GLN HGx 1.0 1.8 5.5 628 286 A 51 GLN HE2y A 51 GLN HGx 1.0 1.8 5.5 629 286 A 51 GLN HGy A 51 GLN HE2x 1.0 1.8 5.5 630 286 A 51 GLN HGy A 51 GLN HE2y 1.0 1.8 5.5 631 287 A 51 GLN H A 51 GLN HGx 1.0 1.8 4.5 632 287 A 51 GLN HGy A 51 GLN H 1.0 1.8 4.5 633 288 A 51 GLN H A 52 PRO HDy 1.0 1.8 6.0 634 288 A 52 PRO HDx A 51 GLN H 1.0 1.8 6.0 635 289 A 52 PRO HA A 53 LEU H 1.0 1.8 3.5 636 290 A 53 LEU H A 52 PRO HBy 1.0 1.8 4.5 637 290 A 52 PRO HBx A 53 LEU H 1.0 1.8 4.5 638 291 A 54 CYS H A 52 PRO HBy 1.0 1.8 4.5 639 291 A 52 PRO HBx A 54 CYS H 1.0 1.8 4.5 640 292 A 53 LEU H A 52 PRO HDy 1.0 1.8 6.0 641 292 A 52 PRO HDx A 53 LEU H 1.0 1.8 6.0 642 293 A 53 LEU H A 52 PRO HGx 1.0 1.8 6.0 643 293 A 52 PRO HGy A 53 LEU H 1.0 1.8 6.0 644 294 A 54 CYS H A 52 PRO HGx 1.0 1.8 6.0 645 294 A 52 PRO HGy A 54 CYS H 1.0 1.8 6.0 646 295 A 53 LEU HA A 53 LEU H 1.0 1.8 2.9 647 296 A 53 LEU HA A 54 CYS H 1.0 1.8 3.5 648 297 A 53 LEU HA A 66 ALA H 1.0 1.8 5.0 649 298 A 53 LEU H A 53 LEU HBx 1.0 1.8 3.5 650 298 A 53 LEU HBy A 53 LEU H 1.0 1.8 3.5 651 299 A 54 CYS H A 53 LEU HBx 1.0 1.8 4.5 652 299 A 53 LEU HBy A 54 CYS H 1.0 1.8 4.5 653 300 A 53 LEU H A 53 LEU HDx% 1.0 1.8 5.2 654 300 A 53 LEU HDy% A 53 LEU H 1.0 1.8 5.2 655 301 A 54 CYS H A 53 LEU HDx% 1.0 1.8 5.9 656 301 A 53 LEU HDy% A 54 CYS H 1.0 1.8 5.9 657 302 A 66 ALA H A 53 LEU HDx% 1.0 1.8 7.4 658 302 A 53 LEU HDy% A 66 ALA H 1.0 1.8 7.4 659 303 A 53 LEU HG A 66 ALA H 1.0 1.8 5.0 660 304 A 54 CYS H A 53 LEU H 1.0 1.8 2.9 661 305 A 54 CYS HA A 54 CYS H 1.0 1.8 2.9 662 306 A 54 CYS HA A 55 PHE H 1.0 1.8 2.9 663 307 A 54 CYS HA A 64 PHE H 1.0 1.8 5.0 664 308 A 54 CYS HA A 66 ALA H 1.0 1.8 3.5 665 309 A 54 CYS H A 54 CYS HBx 1.0 1.8 3.5 666 309 A 54 CYS HBy A 54 CYS H 1.0 1.8 3.5 667 310 A 55 PHE H A 54 CYS HBx 1.0 1.8 3.9 668 310 A 54 CYS HBy A 55 PHE H 1.0 1.8 3.9 669 311 A 56 ASN H A 54 CYS HBx 1.0 1.8 6.0 670 311 A 54 CYS HBy A 56 ASN H 1.0 1.8 6.0 671 312 A 66 ALA H A 54 CYS HBx 1.0 1.8 6.0 672 312 A 54 CYS HBy A 66 ALA H 1.0 1.8 6.0 673 313 A 54 CYS H A 55 PHE H 1.0 1.8 5.0 674 314 A 66 ALA HA A 54 CYS H 1.0 1.8 5.0 675 315 A 66 ALA HB% A 54 CYS H 1.0 1.8 6.5 676 316 A 55 PHE HA A 55 PHE H 1.0 1.8 3.5 677 317 A 55 PHE HA A 56 ASN H 1.0 1.8 2.9 678 318 A 55 PHE HA A 64 PHE H 1.0 1.8 5.0 679 319 A 55 PHE H A 55 PHE HBx 1.0 1.8 4.1 680 319 A 55 PHE HBy A 55 PHE H 1.0 1.8 4.1 681 320 A 56 ASN H A 55 PHE HBx 1.0 1.8 4.5 682 320 A 55 PHE HBy A 56 ASN H 1.0 1.8 4.5 683 321 A 64 PHE H A 55 PHE HBx 1.0 1.8 6.0 684 321 A 55 PHE HBy A 64 PHE H 1.0 1.8 6.0 685 322 A 55 PHE H A 55 PHE HD% 1.0 1.8 5.5 686 323 A 56 ASN H A 55 PHE HD% 1.0 1.8 7.0 687 324 A 64 PHE H A 55 PHE HD% 1.0 1.8 7.0 688 325 A 66 ALA H A 55 PHE HD% 1.0 1.8 7.0 689 326 A 55 PHE HD% A 68 GLU H 1.0 1.8 7.0 690 327 A 55 PHE HD% A 69 LYS H 1.0 1.8 7.0 691 328 A 55 PHE HD% A 72 PHE H 1.0 1.8 7.0 692 329 A 55 PHE H A 55 PHE HE% 1.0 1.8 7.0 693 330 A 69 LYS H A 55 PHE HE% 1.0 1.8 5.5 694 331 A 72 PHE H A 55 PHE HE% 1.0 1.8 7.0 695 332 A 55 PHE HE% A 73 GLU H 1.0 1.8 7.0 696 333 A 55 PHE H A 56 ASN H 1.0 1.8 5.0 697 334 A 63 ILE HA A 55 PHE H 1.0 1.8 5.0 698 335 A 63 ILE HG2% A 55 PHE H 1.0 1.8 5.0 699 336 A 55 PHE H A 64 PHE HBy 1.0 1.8 6.0 700 336 A 64 PHE HBx A 55 PHE H 1.0 1.8 6.0 701 337 A 55 PHE H A 64 PHE HD% 1.0 1.8 7.0 702 338 A 55 PHE H A 64 PHE H 1.0 1.8 3.5 703 339 A 65 PRO HA A 55 PHE H 1.0 1.8 5.0 704 340 A 66 ALA HA A 55 PHE H 1.0 1.8 5.0 705 341 A 66 ALA HB% A 55 PHE H 1.0 1.8 6.5 706 342 A 66 ALA H A 55 PHE H 1.0 1.8 5.0 707 343 A 56 ASN HA A 56 ASN HD2y 1.0 1.8 6.0 708 343 A 56 ASN HA A 56 ASN HD2x 1.0 1.8 6.0 709 344 A 56 ASN HA A 56 ASN H 1.0 1.8 3.5 710 345 A 56 ASN HA A 57 CYS H 1.0 1.8 2.9 711 346 A 56 ASN HA A 64 PHE H 1.0 1.8 5.0 712 347 A 56 ASN HBy A 56 ASN HD2y 1.0 1.8 5.5 713 347 A 56 ASN HBx A 56 ASN HD2y 1.0 1.8 5.5 714 347 A 56 ASN HD2x A 56 ASN HBx 1.0 1.8 5.5 715 347 A 56 ASN HBy A 56 ASN HD2x 1.0 1.8 5.5 716 348 A 56 ASN H A 56 ASN HBx 1.0 1.8 3.5 717 348 A 56 ASN HBy A 56 ASN H 1.0 1.8 3.5 718 349 A 57 CYS H A 56 ASN HBx 1.0 1.8 4.5 719 349 A 56 ASN HBy A 57 CYS H 1.0 1.8 4.5 720 350 A 61 ASP H A 56 ASN HBx 1.0 1.8 6.0 721 350 A 56 ASN HBy A 61 ASP H 1.0 1.8 6.0 722 351 A 64 PHE H A 56 ASN HBx 1.0 1.8 6.0 723 351 A 56 ASN HBy A 64 PHE H 1.0 1.8 6.0 724 352 A 56 ASN H A 56 ASN HD2y 1.0 1.8 4.5 725 352 A 56 ASN H A 56 ASN HD2x 1.0 1.8 4.5 726 353 A 57 CYS H A 56 ASN HD2y 1.0 1.8 6.0 727 353 A 56 ASN HD2x A 57 CYS H 1.0 1.8 6.0 728 354 A 61 ASP HA A 56 ASN HD2y 1.0 1.8 6.0 729 354 A 61 ASP HA A 56 ASN HD2x 1.0 1.8 6.0 730 355 A 63 ILE HB A 56 ASN HD2y 1.0 1.8 6.0 731 355 A 63 ILE HB A 56 ASN HD2x 1.0 1.8 6.0 732 356 A 63 ILE HD1% A 56 ASN HD2y 1.0 1.8 7.5 733 356 A 63 ILE HD1% A 56 ASN HD2x 1.0 1.8 7.5 734 357 A 56 ASN HD2x A 63 ILE HG1y 1.0 1.8 7.0 735 357 A 56 ASN HD2y A 63 ILE HG1y 1.0 1.8 7.0 736 357 A 63 ILE HG1x A 56 ASN HD2y 1.0 1.8 7.0 737 357 A 63 ILE HG1x A 56 ASN HD2x 1.0 1.8 7.0 738 358 A 63 ILE HG2% A 56 ASN HD2y 1.0 1.8 7.5 739 358 A 63 ILE HG2% A 56 ASN HD2x 1.0 1.8 7.5 740 359 A 56 ASN H A 57 CYS H 1.0 1.8 5.0 741 360 A 63 ILE HG2% A 56 ASN H 1.0 1.8 6.5 742 361 A 56 ASN H A 72 PHE HD% 1.0 1.8 7.0 743 362 A 56 ASN H A 72 PHE HE% 1.0 1.8 7.0 744 363 A 57 CYS HA A 57 CYS H 1.0 1.8 3.5 745 364 A 57 CYS HA A 59 ILE H 1.0 1.8 5.0 746 365 A 57 CYS HA A 60 CYS H 1.0 1.8 5.0 747 366 A 57 CYS HA A 61 ASP H 1.0 1.8 5.0 748 367 A 57 CYS H A 57 CYS HBx 1.0 1.8 3.5 749 367 A 57 CYS HBy A 57 CYS H 1.0 1.8 3.5 750 368 A 59 ILE H A 57 CYS HBx 1.0 1.8 6.0 751 368 A 57 CYS HBy A 59 ILE H 1.0 1.8 6.0 752 369 A 60 CYS H A 57 CYS HBx 1.0 1.8 6.0 753 369 A 57 CYS HBy A 60 CYS H 1.0 1.8 6.0 754 370 A 61 ASP H A 57 CYS HBx 1.0 1.8 4.5 755 370 A 57 CYS HBy A 61 ASP H 1.0 1.8 4.5 756 371 A 62 LYS H A 57 CYS HBx 1.0 1.8 3.9 757 371 A 57 CYS HBy A 62 LYS H 1.0 1.8 3.9 758 372 A 57 CYS H A 58 PRO HDx 1.0 1.8 6.0 759 372 A 58 PRO HDy A 57 CYS H 1.0 1.8 6.0 760 373 A 61 ASP HA A 57 CYS H 1.0 1.8 5.0 761 374 A 57 CYS H A 61 ASP H 1.0 1.8 5.0 762 375 A 57 CYS H A 62 LYS HBx 1.0 1.8 6.0 763 375 A 62 LYS HBy A 57 CYS H 1.0 1.8 6.0 764 376 A 57 CYS H A 62 LYS H 1.0 1.8 5.0 765 377 A 63 ILE HG2% A 57 CYS H 1.0 1.8 6.5 766 378 A 64 PHE HD% A 57 CYS H 1.0 1.8 7.0 767 379 A 57 CYS H A 64 PHE HE% 1.0 1.8 7.0 768 380 A 64 PHE H A 57 CYS H 1.0 1.8 5.0 769 381 A 57 CYS H A 72 PHE HD% 1.0 1.8 7.0 770 382 A 57 CYS H A 72 PHE HE% 1.0 1.8 7.0 771 383 A 58 PRO HA A 59 ILE H 1.0 1.8 5.0 772 384 A 59 ILE H A 58 PRO HBy 1.0 1.8 6.0 773 384 A 58 PRO HBx A 59 ILE H 1.0 1.8 6.0 774 385 A 59 ILE H A 58 PRO HDx 1.0 1.8 4.5 775 385 A 58 PRO HDy A 59 ILE H 1.0 1.8 4.5 776 386 A 59 ILE H A 58 PRO HGy 1.0 1.8 6.0 777 386 A 58 PRO HGx A 59 ILE H 1.0 1.8 6.0 778 387 A 59 ILE HA A 59 ILE H 1.0 1.8 3.5 779 388 A 59 ILE HA A 60 CYS H 1.0 1.8 5.0 780 389 A 59 ILE HB A 59 ILE H 1.0 1.8 3.5 781 390 A 59 ILE HB A 60 CYS H 1.0 1.8 3.5 782 391 A 59 ILE HD1% A 59 ILE H 1.0 1.8 6.5 783 392 A 59 ILE HD1% A 60 CYS H 1.0 1.8 6.5 784 393 A 59 ILE HD1% A 79 HIS H 1.0 1.8 6.5 785 394 A 59 ILE H A 59 ILE HG1x 1.0 1.8 4.5 786 394 A 59 ILE HG1y A 59 ILE H 1.0 1.8 4.5 787 395 A 60 CYS H A 59 ILE HG1x 1.0 1.8 6.0 788 395 A 59 ILE HG1y A 60 CYS H 1.0 1.8 6.0 789 396 A 59 ILE HG2% A 59 ILE H 1.0 1.8 5.0 790 397 A 59 ILE HG2% A 60 CYS H 1.0 1.8 5.0 791 398 A 59 ILE HG2% A 61 ASP H 1.0 1.8 6.5 792 399 A 59 ILE HG2% A 79 HIS H 1.0 1.8 6.5 793 400 A 59 ILE H A 60 CYS H 1.0 1.8 2.9 794 401 A 61 ASP H A 59 ILE H 1.0 1.8 5.0 795 402 A 59 ILE H A 75 HIS HD2 1.0 1.8 5.8 796 403 A 59 ILE H A 79 HIS HD2 1.0 1.8 5.0 797 404 A 60 CYS HA A 60 CYS H 1.0 1.8 3.5 798 405 A 60 CYS HA A 61 ASP H 1.0 1.8 3.5 799 406 A 60 CYS HA A 62 LYS H 1.0 1.8 5.0 800 407 A 60 CYS H A 60 CYS HBy 1.0 1.8 4.1 801 407 A 60 CYS HBx A 60 CYS H 1.0 1.8 4.1 802 408 A 61 ASP H A 60 CYS HBy 1.0 1.8 3.9 803 408 A 60 CYS HBx A 61 ASP H 1.0 1.8 3.9 804 409 A 61 ASP HA A 60 CYS H 1.0 1.8 5.0 805 410 A 61 ASP H A 60 CYS H 1.0 1.8 2.9 806 411 A 60 CYS H A 75 HIS HD2 1.0 1.8 5.0 807 412 A 60 CYS H A 79 HIS HD2 1.0 1.8 5.0 808 413 A 61 ASP HA A 61 ASP H 1.0 1.8 2.9 809 414 A 61 ASP HA A 62 LYS H 1.0 1.8 3.5 810 415 A 61 ASP H A 61 ASP HBx 1.0 1.8 4.1 811 415 A 61 ASP HBy A 61 ASP H 1.0 1.8 4.1 812 416 A 62 LYS H A 61 ASP HBx 1.0 1.8 6.0 813 416 A 61 ASP HBy A 62 LYS H 1.0 1.8 6.0 814 417 A 62 LYS HA A 61 ASP H 1.0 1.8 5.0 815 418 A 61 ASP H A 62 LYS HBx 1.0 1.8 6.0 816 418 A 62 LYS HBy A 61 ASP H 1.0 1.8 6.0 817 419 A 62 LYS HA A 62 LYS H 1.0 1.8 3.5 818 420 A 62 LYS HA A 63 ILE H 1.0 1.8 2.9 819 421 A 62 LYS H A 62 LYS HBx 1.0 1.8 3.5 820 421 A 62 LYS HBy A 62 LYS H 1.0 1.8 3.5 821 422 A 63 ILE H A 62 LYS HBx 1.0 1.8 3.9 822 422 A 62 LYS HBy A 63 ILE H 1.0 1.8 3.9 823 423 A 62 LYS H A 62 LYS HDx 1.0 1.8 6.0 824 423 A 62 LYS HDy A 62 LYS H 1.0 1.8 6.0 825 424 A 63 ILE H A 62 LYS HDx 1.0 1.8 3.9 826 424 A 62 LYS HDy A 63 ILE H 1.0 1.8 3.9 827 425 A 63 ILE H A 62 LYS HEx 1.0 1.8 6.0 828 425 A 62 LYS HEy A 63 ILE H 1.0 1.8 6.0 829 426 A 62 LYS H A 62 LYS HGy 1.0 1.8 4.5 830 426 A 62 LYS HGx A 62 LYS H 1.0 1.8 4.5 831 427 A 62 LYS H A 63 ILE H 1.0 1.8 5.0 832 428 A 62 LYS H A 64 PHE HE% 1.0 1.8 7.0 833 429 A 63 ILE HA A 63 ILE H 1.0 1.8 3.5 834 430 A 63 ILE HA A 64 PHE H 1.0 1.8 2.9 835 431 A 63 ILE HB A 63 ILE H 1.0 1.8 2.9 836 432 A 63 ILE HB A 64 PHE H 1.0 1.8 5.0 837 433 A 63 ILE HD1% A 63 ILE H 1.0 1.8 5.0 838 434 A 63 ILE HD1% A 64 PHE H 1.0 1.8 5.0 839 435 A 63 ILE H A 63 ILE HG1y 1.0 1.8 3.9 840 435 A 63 ILE HG1x A 63 ILE H 1.0 1.8 3.9 841 436 A 64 PHE H A 63 ILE HG1y 1.0 1.8 6.0 842 436 A 63 ILE HG1x A 64 PHE H 1.0 1.8 6.0 843 437 A 63 ILE HG2% A 63 ILE H 1.0 1.8 5.0 844 438 A 63 ILE HG2% A 64 PHE H 1.0 1.8 4.4 845 439 A 64 PHE HE% A 63 ILE H 1.0 1.8 7.0 846 440 A 64 PHE H A 63 ILE H 1.0 1.8 5.0 847 441 A 64 PHE HA A 64 PHE H 1.0 1.8 2.9 848 442 A 64 PHE H A 64 PHE HBy 1.0 1.8 3.5 849 442 A 64 PHE HBx A 64 PHE H 1.0 1.8 3.5 850 443 A 68 GLU H A 64 PHE HBy 1.0 1.8 6.0 851 443 A 64 PHE HBx A 68 GLU H 1.0 1.8 6.0 852 444 A 64 PHE H A 64 PHE HD% 1.0 1.8 4.9 853 445 A 64 PHE HD% A 75 HIS H 1.0 1.8 7.0 854 446 A 64 PHE H A 64 PHE HE% 1.0 1.8 7.0 855 447 A 64 PHE HE% A 75 HIS H 1.0 1.8 7.0 856 448 A 64 PHE H A 65 PRO HDy 1.0 1.8 6.0 857 448 A 65 PRO HDx A 64 PHE H 1.0 1.8 6.0 858 449 A 64 PHE H A 72 PHE HD% 1.0 1.8 7.0 859 450 A 75 HIS H A 64 PHE HZ 1.0 1.8 5.0 860 451 A 65 PRO HA A 66 ALA H 1.0 1.8 2.9 861 452 A 65 PRO HA A 67 THR H 1.0 1.8 5.0 862 453 A 66 ALA H A 65 PRO HBy 1.0 1.8 4.5 863 453 A 65 PRO HBx A 66 ALA H 1.0 1.8 4.5 864 454 A 67 THR H A 65 PRO HBy 1.0 1.8 6.0 865 454 A 65 PRO HBx A 67 THR H 1.0 1.8 6.0 866 455 A 68 GLU H A 65 PRO HDy 1.0 1.8 6.0 867 455 A 65 PRO HDx A 68 GLU H 1.0 1.8 6.0 868 456 A 67 THR H A 65 PRO HGx 1.0 1.8 4.5 869 456 A 65 PRO HGy A 67 THR H 1.0 1.8 4.5 870 457 A 66 ALA HA A 66 ALA H 1.0 1.8 2.9 871 458 A 66 ALA HA A 67 THR H 1.0 1.8 5.0 872 459 A 66 ALA HA A 68 GLU H 1.0 1.8 5.0 873 460 A 66 ALA HB% A 66 ALA H 1.0 1.8 4.0 874 461 A 66 ALA HB% A 67 THR H 1.0 1.8 5.0 875 462 A 66 ALA HB% A 68 GLU H 1.0 1.8 6.5 876 463 A 66 ALA H A 67 THR H 1.0 1.8 2.9 877 464 A 66 ALA H A 68 GLU H 1.0 1.8 5.0 878 465 A 67 THR HA A 67 THR H 1.0 1.8 3.5 879 466 A 67 THR HA A 68 GLU H 1.0 1.8 3.5 880 467 A 67 THR HA A 69 LYS H 1.0 1.8 5.0 881 468 A 67 THR HB A 67 THR H 1.0 1.8 3.5 882 469 A 67 THR HB A 68 GLU H 1.0 1.8 5.0 883 470 A 67 THR HB A 69 LYS H 1.0 1.8 5.0 884 471 A 67 THR HG2% A 67 THR H 1.0 1.8 4.4 885 472 A 67 THR HG2% A 68 GLU H 1.0 1.8 5.0 886 473 A 68 GLU HA A 67 THR H 1.0 1.8 5.0 887 474 A 67 THR H A 68 GLU HGy 1.0 1.8 6.0 888 474 A 68 GLU HGx A 67 THR H 1.0 1.8 6.0 889 475 A 68 GLU H A 67 THR H 1.0 1.8 2.9 890 476 A 68 GLU HA A 68 GLU H 1.0 1.8 2.9 891 477 A 68 GLU HA A 69 LYS H 1.0 1.8 3.5 892 478 A 68 GLU HA A 70 GLN H 1.0 1.8 5.0 893 479 A 68 GLU HA A 71 ILE H 1.0 1.8 5.0 894 480 A 68 GLU HA A 72 PHE H 1.0 1.8 5.0 895 481 A 68 GLU H A 68 GLU HBy 1.0 1.8 3.5 896 481 A 68 GLU HBx A 68 GLU H 1.0 1.8 3.5 897 482 A 69 LYS H A 68 GLU HBy 1.0 1.8 6.0 898 482 A 68 GLU HBx A 69 LYS H 1.0 1.8 6.0 899 483 A 70 GLN H A 68 GLU HBy 1.0 1.8 6.0 900 483 A 68 GLU HBx A 70 GLN H 1.0 1.8 6.0 901 484 A 71 ILE H A 68 GLU HBy 1.0 1.8 6.0 902 484 A 68 GLU HBx A 71 ILE H 1.0 1.8 6.0 903 485 A 72 PHE H A 68 GLU HBy 1.0 1.8 4.5 904 485 A 68 GLU HBx A 72 PHE H 1.0 1.8 4.5 905 486 A 68 GLU H A 68 GLU HGy 1.0 1.8 4.5 906 486 A 68 GLU HGx A 68 GLU H 1.0 1.8 4.5 907 487 A 69 LYS H A 68 GLU HGy 1.0 1.8 6.0 908 487 A 68 GLU HGx A 69 LYS H 1.0 1.8 6.0 909 488 A 69 LYS HA A 68 GLU H 1.0 1.8 5.0 910 489 A 68 GLU H A 69 LYS H 1.0 1.8 3.5 911 490 A 68 GLU H A 70 GLN H 1.0 1.8 5.0 912 491 A 71 ILE HD1% A 68 GLU H 1.0 1.8 6.5 913 492 A 69 LYS HA A 69 LYS H 1.0 1.8 2.9 914 493 A 69 LYS HA A 70 GLN H 1.0 1.8 3.5 915 494 A 69 LYS HA A 71 ILE H 1.0 1.8 5.0 916 495 A 69 LYS HA A 72 PHE H 1.0 1.8 5.0 917 496 A 69 LYS HA A 73 GLU H 1.0 1.8 5.0 918 497 A 69 LYS H A 69 LYS HBx 1.0 1.8 3.5 919 497 A 69 LYS HBy A 69 LYS H 1.0 1.8 3.5 920 498 A 70 GLN H A 69 LYS HBx 1.0 1.8 3.9 921 498 A 69 LYS HBy A 70 GLN H 1.0 1.8 3.9 922 499 A 69 LYS H A 69 LYS HDx 1.0 1.8 6.0 923 499 A 69 LYS HDy A 69 LYS H 1.0 1.8 6.0 924 500 A 70 GLN H A 69 LYS HDx 1.0 1.8 4.5 925 500 A 69 LYS HDy A 70 GLN H 1.0 1.8 4.5 926 501 A 73 GLU H A 69 LYS HDx 1.0 1.8 6.0 927 501 A 69 LYS HDy A 73 GLU H 1.0 1.8 6.0 928 502 A 69 LYS H A 69 LYS HGx 1.0 1.8 4.5 929 502 A 69 LYS HGy A 69 LYS H 1.0 1.8 4.5 930 503 A 70 GLN H A 69 LYS HGx 1.0 1.8 4.5 931 503 A 69 LYS HGy A 70 GLN H 1.0 1.8 4.5 932 504 A 73 GLU H A 69 LYS HGx 1.0 1.8 6.0 933 504 A 69 LYS HGy A 73 GLU H 1.0 1.8 6.0 934 505 A 69 LYS H A 70 GLN H 1.0 1.8 2.9 935 506 A 69 LYS H A 71 ILE H 1.0 1.8 5.0 936 507 A 70 GLN HA A 70 GLN HE2x 1.0 1.8 6.0 937 507 A 70 GLN HA A 70 GLN HE2y 1.0 1.8 6.0 938 508 A 70 GLN HA A 70 GLN H 1.0 1.8 2.9 939 509 A 70 GLN HA A 71 ILE H 1.0 1.8 3.5 940 510 A 70 GLN HA A 72 PHE H 1.0 1.8 5.0 941 511 A 70 GLN HA A 73 GLU H 1.0 1.8 5.0 942 512 A 70 GLN HA A 74 ASP H 1.0 1.8 5.0 943 513 A 70 GLN HBx A 70 GLN HE2x 1.0 1.8 7.0 944 513 A 70 GLN HE2y A 70 GLN HBx 1.0 1.8 7.0 945 513 A 70 GLN HBy A 70 GLN HE2y 1.0 1.8 7.0 946 513 A 70 GLN HBy A 70 GLN HE2x 1.0 1.8 7.0 947 514 A 70 GLN H A 70 GLN HBx 1.0 1.8 3.5 948 514 A 70 GLN HBy A 70 GLN H 1.0 1.8 3.5 949 515 A 71 ILE H A 70 GLN HBx 1.0 1.8 3.9 950 515 A 70 GLN HBy A 71 ILE H 1.0 1.8 3.9 951 516 A 70 GLN HE2x A 70 GLN HGx 1.0 1.8 4.9 952 516 A 70 GLN HE2y A 70 GLN HGx 1.0 1.8 4.9 953 516 A 70 GLN HGy A 70 GLN HE2x 1.0 1.8 4.9 954 516 A 70 GLN HGy A 70 GLN HE2y 1.0 1.8 4.9 955 517 A 70 GLN H A 70 GLN HE2x 1.0 1.8 6.0 956 517 A 70 GLN H A 70 GLN HE2y 1.0 1.8 6.0 957 518 A 70 GLN HE2y A 73 GLU HBx 1.0 1.8 7.0 958 518 A 70 GLN HE2x A 73 GLU HBx 1.0 1.8 7.0 959 518 A 73 GLU HBy A 70 GLN HE2x 1.0 1.8 7.0 960 518 A 73 GLU HBy A 70 GLN HE2y 1.0 1.8 7.0 961 519 A 74 ASP H A 70 GLN HE2x 1.0 1.8 6.0 962 519 A 70 GLN HE2y A 74 ASP H 1.0 1.8 6.0 963 520 A 70 GLN H A 70 GLN HGx 1.0 1.8 4.5 964 520 A 70 GLN HGy A 70 GLN H 1.0 1.8 4.5 965 521 A 71 ILE H A 70 GLN HGx 1.0 1.8 4.5 966 521 A 70 GLN HGy A 71 ILE H 1.0 1.8 4.5 967 522 A 70 GLN H A 71 ILE H 1.0 1.8 2.9 968 523 A 72 PHE HD% A 70 GLN H 1.0 1.8 7.0 969 524 A 72 PHE H A 70 GLN H 1.0 1.8 5.0 970 525 A 71 ILE HA A 71 ILE H 1.0 1.8 2.9 971 526 A 71 ILE HA A 72 PHE H 1.0 1.8 3.5 972 527 A 71 ILE HA A 73 GLU H 1.0 1.8 5.0 973 528 A 71 ILE HA A 74 ASP H 1.0 1.8 5.0 974 529 A 71 ILE HA A 75 HIS H 1.0 1.8 5.0 975 530 A 71 ILE HB A 71 ILE H 1.0 1.8 2.9 976 531 A 71 ILE HB A 72 PHE H 1.0 1.8 3.5 977 532 A 71 ILE HD1% A 71 ILE H 1.0 1.8 5.0 978 533 A 71 ILE HD1% A 72 PHE H 1.0 1.8 6.5 979 534 A 71 ILE HD1% A 74 ASP H 1.0 1.8 6.5 980 535 A 71 ILE H A 71 ILE HG1x 1.0 1.8 3.9 981 535 A 71 ILE HG1y A 71 ILE H 1.0 1.8 3.9 982 536 A 72 PHE H A 71 ILE HG1x 1.0 1.8 4.5 983 536 A 71 ILE HG1y A 72 PHE H 1.0 1.8 4.5 984 537 A 74 ASP H A 71 ILE HG1x 1.0 1.8 6.0 985 537 A 71 ILE HG1y A 74 ASP H 1.0 1.8 6.0 986 538 A 71 ILE HG2% A 71 ILE H 1.0 1.8 5.0 987 539 A 71 ILE HG2% A 72 PHE H 1.0 1.8 5.0 988 540 A 71 ILE HG2% A 74 ASP H 1.0 1.8 6.5 989 541 A 71 ILE HG2% A 75 HIS H 1.0 1.8 6.5 990 542 A 71 ILE H A 72 PHE HBy 1.0 1.8 6.0 991 542 A 72 PHE HBx A 71 ILE H 1.0 1.8 6.0 992 543 A 72 PHE H A 71 ILE H 1.0 1.8 2.9 993 544 A 73 GLU H A 71 ILE H 1.0 1.8 5.0 994 545 A 72 PHE HA A 72 PHE H 1.0 1.8 2.9 995 546 A 72 PHE HA A 73 GLU H 1.0 1.8 3.5 996 547 A 72 PHE HA A 74 ASP H 1.0 1.8 5.0 997 548 A 72 PHE HA A 75 HIS H 1.0 1.8 5.0 998 549 A 72 PHE HA A 76 VAL H 1.0 1.8 5.0 999 550 A 72 PHE H A 72 PHE HBy 1.0 1.8 3.5 1000 550 A 72 PHE HBx A 72 PHE H 1.0 1.8 3.5 1001 551 A 73 GLU H A 72 PHE HBy 1.0 1.8 3.9 1002 551 A 72 PHE HBx A 73 GLU H 1.0 1.8 3.9 1003 552 A 75 HIS H A 72 PHE HBy 1.0 1.8 6.0 1004 552 A 72 PHE HBx A 75 HIS H 1.0 1.8 6.0 1005 553 A 72 PHE H A 72 PHE HD% 1.0 1.8 5.5 1006 554 A 73 GLU H A 72 PHE HD% 1.0 1.8 5.5 1007 555 A 72 PHE HD% A 74 ASP H 1.0 1.8 7.0 1008 556 A 72 PHE HD% A 75 HIS H 1.0 1.8 7.0 1009 557 A 72 PHE H A 72 PHE HE% 1.0 1.8 7.0 1010 558 A 73 GLU H A 72 PHE HE% 1.0 1.8 7.0 1011 559 A 72 PHE H A 73 GLU H 1.0 1.8 2.9 1012 560 A 73 GLU HA A 73 GLU H 1.0 1.8 2.9 1013 561 A 73 GLU HA A 74 ASP H 1.0 1.8 3.5 1014 562 A 73 GLU HA A 76 VAL H 1.0 1.8 5.0 1015 563 A 73 GLU H A 73 GLU HBx 1.0 1.8 3.5 1016 563 A 73 GLU HBy A 73 GLU H 1.0 1.8 3.5 1017 564 A 74 ASP H A 73 GLU HBx 1.0 1.8 3.9 1018 564 A 73 GLU HBy A 74 ASP H 1.0 1.8 3.9 1019 565 A 73 GLU H A 73 GLU HGx 1.0 1.8 3.9 1020 565 A 73 GLU HGy A 73 GLU H 1.0 1.8 3.9 1021 566 A 74 ASP H A 73 GLU HGx 1.0 1.8 4.5 1022 566 A 73 GLU HGy A 74 ASP H 1.0 1.8 4.5 1023 567 A 74 ASP HA A 73 GLU H 1.0 1.8 5.0 1024 568 A 73 GLU H A 74 ASP H 1.0 1.8 2.9 1025 569 A 73 GLU H A 76 VAL HGx% 1.0 1.8 7.4 1026 569 A 76 VAL HGy% A 73 GLU H 1.0 1.8 7.4 1027 570 A 74 ASP HA A 74 ASP H 1.0 1.8 2.9 1028 571 A 74 ASP HA A 75 HIS H 1.0 1.8 3.5 1029 572 A 74 ASP HA A 76 VAL H 1.0 1.8 5.0 1030 573 A 74 ASP HA A 77 PHE H 1.0 1.8 5.0 1031 574 A 74 ASP HA A 78 CYS H 1.0 1.8 5.0 1032 575 A 74 ASP H A 74 ASP HBy 1.0 1.8 3.5 1033 575 A 74 ASP HBx A 74 ASP H 1.0 1.8 3.5 1034 576 A 75 HIS H A 74 ASP HBy 1.0 1.8 3.9 1035 576 A 74 ASP HBx A 75 HIS H 1.0 1.8 3.9 1036 577 A 74 ASP H A 75 HIS HBx 1.0 1.8 6.0 1037 577 A 75 HIS HBy A 74 ASP H 1.0 1.8 6.0 1038 578 A 75 HIS H A 74 ASP H 1.0 1.8 2.9 1039 579 A 75 HIS HA A 75 HIS H 1.0 1.8 2.9 1040 580 A 75 HIS HA A 76 VAL H 1.0 1.8 3.5 1041 581 A 75 HIS HA A 77 PHE H 1.0 1.8 5.0 1042 582 A 75 HIS HA A 78 CYS H 1.0 1.8 5.0 1043 583 A 75 HIS H A 75 HIS HBx 1.0 1.8 3.5 1044 583 A 75 HIS HBy A 75 HIS H 1.0 1.8 3.5 1045 584 A 76 VAL H A 75 HIS HBx 1.0 1.8 4.5 1046 584 A 75 HIS HBy A 76 VAL H 1.0 1.8 4.5 1047 585 A 75 HIS HD2 A 75 HIS H 1.0 1.8 5.0 1048 586 A 75 HIS HD2 A 76 VAL H 1.0 1.8 3.5 1049 587 A 75 HIS HD2 A 77 PHE H 1.0 1.8 5.0 1050 588 A 75 HIS HD2 A 78 CYS H 1.0 1.8 5.0 1051 589 A 76 VAL HB A 75 HIS H 1.0 1.8 5.0 1052 590 A 75 HIS H A 76 VAL HGx% 1.0 1.8 5.9 1053 590 A 76 VAL HGy% A 75 HIS H 1.0 1.8 5.9 1054 591 A 75 HIS H A 76 VAL H 1.0 1.8 2.9 1055 592 A 76 VAL HA A 76 VAL H 1.0 1.8 2.9 1056 593 A 76 VAL HA A 77 PHE H 1.0 1.8 3.5 1057 594 A 76 VAL HA A 78 CYS H 1.0 1.8 5.0 1058 595 A 76 VAL HA A 79 HIS H 1.0 1.8 3.5 1059 596 A 76 VAL HA A 80 SER H 1.0 1.8 5.0 1060 597 A 76 VAL HB A 76 VAL H 1.0 1.8 2.9 1061 598 A 76 VAL HB A 77 PHE H 1.0 1.8 2.9 1062 599 A 76 VAL HB A 78 CYS H 1.0 1.8 5.0 1063 600 A 76 VAL H A 76 VAL HGx% 1.0 1.8 4.6 1064 600 A 76 VAL HGy% A 76 VAL H 1.0 1.8 4.6 1065 601 A 77 PHE H A 76 VAL HGx% 1.0 1.8 5.3 1066 601 A 76 VAL HGy% A 77 PHE H 1.0 1.8 5.3 1067 602 A 79 HIS H A 76 VAL HGx% 1.0 1.8 5.9 1068 602 A 76 VAL HGy% A 79 HIS H 1.0 1.8 5.9 1069 603 A 76 VAL H A 77 PHE H 1.0 1.8 2.9 1070 604 A 79 HIS HD2 A 76 VAL H 1.0 1.8 5.0 1071 605 A 79 HIS H A 76 VAL H 1.0 1.8 5.0 1072 606 A 77 PHE HA A 77 PHE H 1.0 1.8 2.9 1073 607 A 77 PHE HA A 78 CYS H 1.0 1.8 3.5 1074 608 A 77 PHE HA A 79 HIS H 1.0 1.8 5.0 1075 609 A 77 PHE HA A 80 SER H 1.0 1.8 5.0 1076 610 A 77 PHE HA A 81 LEU H 1.0 1.8 5.0 1077 611 A 77 PHE H A 77 PHE HBx 1.0 1.8 3.5 1078 611 A 77 PHE HBy A 77 PHE H 1.0 1.8 3.5 1079 612 A 78 CYS H A 77 PHE HBx 1.0 1.8 3.9 1080 612 A 77 PHE HBy A 78 CYS H 1.0 1.8 3.9 1081 613 A 77 PHE H A 77 PHE HD% 1.0 1.8 5.5 1082 614 A 77 PHE H A 78 CYS HBx 1.0 1.8 6.0 1083 614 A 78 CYS HBy A 77 PHE H 1.0 1.8 6.0 1084 615 A 77 PHE H A 78 CYS H 1.0 1.8 2.9 1085 616 A 78 CYS HA A 78 CYS H 1.0 1.8 2.9 1086 617 A 78 CYS HA A 79 HIS H 1.0 1.8 3.5 1087 618 A 78 CYS HA A 80 SER H 1.0 1.8 3.5 1088 619 A 78 CYS HA A 81 LEU H 1.0 1.8 3.5 1089 620 A 78 CYS H A 78 CYS HBx 1.0 1.8 3.5 1090 620 A 78 CYS HBy A 78 CYS H 1.0 1.8 3.5 1091 621 A 79 HIS H A 78 CYS HBx 1.0 1.8 4.5 1092 621 A 78 CYS HBy A 79 HIS H 1.0 1.8 4.5 1093 622 A 80 SER H A 78 CYS HBx 1.0 1.8 6.0 1094 622 A 78 CYS HBy A 80 SER H 1.0 1.8 6.0 1095 623 A 79 HIS H A 78 CYS H 1.0 1.8 2.9 1096 624 A 78 CYS H A 81 LEU HBx 1.0 1.8 6.0 1097 624 A 81 LEU HBy A 78 CYS H 1.0 1.8 6.0 1098 625 A 78 CYS H A 81 LEU HDx% 1.0 1.8 5.9 1099 625 A 81 LEU HDy% A 78 CYS H 1.0 1.8 5.9 1100 626 A 81 LEU HG A 78 CYS H 1.0 1.8 5.0 1101 627 A 79 HIS HA A 79 HIS H 1.0 1.8 2.9 1102 628 A 79 HIS HA A 80 SER H 1.0 1.8 3.5 1103 629 A 79 HIS H A 79 HIS HBy 1.0 1.8 3.5 1104 629 A 79 HIS HBx A 79 HIS H 1.0 1.8 3.5 1105 630 A 80 SER H A 79 HIS HBy 1.0 1.8 4.5 1106 630 A 79 HIS HBx A 80 SER H 1.0 1.8 4.5 1107 631 A 81 LEU H A 79 HIS HBy 1.0 1.8 6.0 1108 631 A 79 HIS HBx A 81 LEU H 1.0 1.8 6.0 1109 632 A 79 HIS H A 79 HIS HD2 1.0 1.8 3.5 1110 633 A 79 HIS HD2 A 80 SER H 1.0 1.8 5.0 1111 634 A 79 HIS H A 80 SER HBx 1.0 1.8 6.0 1112 634 A 80 SER HBy A 79 HIS H 1.0 1.8 6.0 1113 635 A 79 HIS H A 80 SER H 1.0 1.8 2.9 1114 636 A 80 SER HA A 80 SER H 1.0 1.8 2.9 1115 637 A 80 SER HA A 81 LEU H 1.0 1.8 3.5 1116 638 A 80 SER H A 80 SER HBx 1.0 1.8 3.5 1117 638 A 80 SER HBy A 80 SER H 1.0 1.8 3.5 1118 639 A 81 LEU H A 80 SER HBx 1.0 1.8 4.5 1119 639 A 80 SER HBy A 81 LEU H 1.0 1.8 4.5 1120 640 A 80 SER H A 81 LEU HBx 1.0 1.8 6.0 1121 640 A 81 LEU HBy A 80 SER H 1.0 1.8 6.0 1122 641 A 80 SER H A 81 LEU HDx% 1.0 1.8 7.4 1123 641 A 81 LEU HDy% A 80 SER H 1.0 1.8 7.4 1124 642 A 81 LEU HG A 80 SER H 1.0 1.8 5.0 1125 643 A 80 SER H A 81 LEU H 1.0 1.8 2.9 1126 644 A 81 LEU HA A 81 LEU H 1.0 1.8 2.9 1127 645 A 81 LEU H A 81 LEU HBx 1.0 1.8 3.5 1128 645 A 81 LEU HBy A 81 LEU H 1.0 1.8 3.5 1129 646 A 81 LEU H A 81 LEU HDx% 1.0 1.8 5.2 1130 646 A 81 LEU HDy% A 81 LEU H 1.0 1.8 5.2 1131 647 A 81 LEU HG A 81 LEU H 1.0 1.8 2.9 1132 648 A 54 CYS HA A 55 PHE HD% 1.0 1.8 7.0 1133 649 A 64 PHE HD% A 54 CYS HBx 1.0 1.8 5.9 1134 649 A 54 CYS HBy A 64 PHE HD% 1.0 1.8 5.9 1135 650 A 55 PHE HA A 55 PHE HD% 1.0 1.8 5.5 1136 651 A 55 PHE HA A 55 PHE HE% 1.0 1.8 7.0 1137 652 A 55 PHE HD% A 55 PHE HBx 1.0 1.8 5.9 1138 652 A 55 PHE HBy A 55 PHE HD% 1.0 1.8 5.9 1139 653 A 64 PHE HD% A 55 PHE HBx 1.0 1.8 6.5 1140 653 A 55 PHE HBy A 64 PHE HD% 1.0 1.8 6.5 1141 654 A 72 PHE HD% A 55 PHE HBx 1.0 1.8 6.5 1142 654 A 55 PHE HBy A 72 PHE HD% 1.0 1.8 6.5 1143 655 A 72 PHE HE% A 55 PHE HBx 1.0 1.8 6.5 1144 655 A 55 PHE HBy A 72 PHE HE% 1.0 1.8 6.5 1145 656 A 72 PHE HZ A 55 PHE HBx 1.0 1.8 6.0 1146 656 A 55 PHE HBy A 72 PHE HZ 1.0 1.8 6.0 1147 657 A 55 PHE HD% A 55 PHE HE% 1.0 1.8 6.9 1148 658 A 55 PHE HD% A 64 PHE HBy 1.0 1.8 6.5 1149 658 A 64 PHE HBx A 55 PHE HD% 1.0 1.8 6.5 1150 659 A 55 PHE HD% A 64 PHE HD% 1.0 1.8 9.0 1151 660 A 66 ALA HA A 55 PHE HD% 1.0 1.8 4.9 1152 661 A 66 ALA HB% A 55 PHE HD% 1.0 1.8 7.0 1153 662 A 69 LYS HA A 55 PHE HD% 1.0 1.8 5.5 1154 663 A 55 PHE HD% A 69 LYS HBx 1.0 1.8 8.0 1155 663 A 69 LYS HBy A 55 PHE HD% 1.0 1.8 8.0 1156 664 A 55 PHE HD% A 72 PHE HBy 1.0 1.8 6.5 1157 664 A 72 PHE HBx A 55 PHE HD% 1.0 1.8 6.5 1158 665 A 55 PHE HD% A 72 PHE HD% 1.0 1.8 7.5 1159 666 A 55 PHE HD% A 72 PHE HE% 1.0 1.8 7.5 1160 667 A 66 ALA HA A 55 PHE HE% 1.0 1.8 4.9 1161 668 A 66 ALA HB% A 55 PHE HE% 1.0 1.8 6.4 1162 669 A 69 LYS HA A 55 PHE HE% 1.0 1.8 4.9 1163 670 A 55 PHE HE% A 69 LYS HBx 1.0 1.8 5.9 1164 670 A 69 LYS HBy A 55 PHE HE% 1.0 1.8 5.9 1165 671 A 55 PHE HE% A 69 LYS HDx 1.0 1.8 5.9 1166 671 A 69 LYS HDy A 55 PHE HE% 1.0 1.8 5.9 1167 672 A 55 PHE HE% A 69 LYS HEx 1.0 1.8 6.5 1168 672 A 69 LYS HEy A 55 PHE HE% 1.0 1.8 6.5 1169 673 A 55 PHE HE% A 69 LYS HGx 1.0 1.8 6.5 1170 673 A 69 LYS HGy A 55 PHE HE% 1.0 1.8 6.5 1171 674 A 55 PHE HE% A 72 PHE HBy 1.0 1.8 8.0 1172 674 A 72 PHE HBx A 55 PHE HE% 1.0 1.8 8.0 1173 675 A 55 PHE HE% A 72 PHE HD% 1.0 1.8 7.5 1174 676 A 55 PHE HE% A 72 PHE HE% 1.0 1.8 7.5 1175 677 A 56 ASN HA A 64 PHE HD% 1.0 1.8 7.0 1176 678 A 57 CYS HA A 72 PHE HE% 1.0 1.8 5.5 1177 679 A 57 CYS HA A 72 PHE HZ 1.0 1.8 5.0 1178 680 A 64 PHE HE% A 57 CYS HBx 1.0 1.8 6.5 1179 680 A 57 CYS HBy A 64 PHE HE% 1.0 1.8 6.5 1180 681 A 72 PHE HE% A 57 CYS HBx 1.0 1.8 6.5 1181 681 A 57 CYS HBy A 72 PHE HE% 1.0 1.8 6.5 1182 682 A 75 HIS HD2 A 57 CYS HBx 1.0 1.8 6.0 1183 682 A 57 CYS HBy A 75 HIS HD2 1.0 1.8 6.0 1184 683 A 72 PHE HE% A 58 PRO HDx 1.0 1.8 8.0 1185 683 A 58 PRO HDy A 72 PHE HE% 1.0 1.8 8.0 1186 684 A 72 PHE HZ A 58 PRO HDx 1.0 1.8 6.0 1187 684 A 58 PRO HDy A 72 PHE HZ 1.0 1.8 6.0 1188 685 A 59 ILE HB A 79 HIS HD2 1.0 1.8 3.5 1189 686 A 59 ILE HB A 79 HIS HE1 1.0 1.8 5.0 1190 687 A 59 ILE HD1% A 79 HIS HD2 1.0 1.8 4.4 1191 688 A 59 ILE HD1% A 79 HIS HE1 1.0 1.8 6.5 1192 689 A 79 HIS HD2 A 59 ILE HG1x 1.0 1.8 4.5 1193 689 A 59 ILE HG1y A 79 HIS HD2 1.0 1.8 4.5 1194 690 A 59 ILE HG2% A 79 HIS HD2 1.0 1.8 5.0 1195 691 A 59 ILE HG2% A 79 HIS HE1 1.0 1.8 4.4 1196 692 A 60 CYS HA A 79 HIS HE1 1.0 1.8 5.0 1197 693 A 79 HIS HE1 A 60 CYS HBy 1.0 1.8 3.9 1198 693 A 60 CYS HBx A 79 HIS HE1 1.0 1.8 3.9 1199 694 A 64 PHE HE% A 62 LYS HBx 1.0 1.8 6.5 1200 694 A 62 LYS HBy A 64 PHE HE% 1.0 1.8 6.5 1201 695 A 64 PHE HZ A 62 LYS HBx 1.0 1.8 6.0 1202 695 A 62 LYS HBy A 64 PHE HZ 1.0 1.8 6.0 1203 696 A 75 HIS HE1 A 62 LYS HBx 1.0 1.8 6.0 1204 696 A 62 LYS HBy A 75 HIS HE1 1.0 1.8 6.0 1205 697 A 64 PHE HE% A 62 LYS HDx 1.0 1.8 6.5 1206 697 A 62 LYS HDy A 64 PHE HE% 1.0 1.8 6.5 1207 698 A 64 PHE HZ A 62 LYS HDx 1.0 1.8 4.5 1208 698 A 62 LYS HDy A 64 PHE HZ 1.0 1.8 4.5 1209 699 A 75 HIS HE1 A 62 LYS HDx 1.0 1.8 3.9 1210 699 A 62 LYS HDy A 75 HIS HE1 1.0 1.8 3.9 1211 700 A 64 PHE HE% A 62 LYS HEx 1.0 1.8 6.5 1212 700 A 62 LYS HEy A 64 PHE HE% 1.0 1.8 6.5 1213 701 A 64 PHE HZ A 62 LYS HEx 1.0 1.8 4.5 1214 701 A 62 LYS HEy A 64 PHE HZ 1.0 1.8 4.5 1215 702 A 75 HIS HE1 A 62 LYS HEx 1.0 1.8 4.5 1216 702 A 62 LYS HEy A 75 HIS HE1 1.0 1.8 4.5 1217 703 A 64 PHE HD% A 62 LYS HGy 1.0 1.8 8.0 1218 703 A 62 LYS HGx A 64 PHE HD% 1.0 1.8 8.0 1219 704 A 64 PHE HE% A 62 LYS HGy 1.0 1.8 6.5 1220 704 A 62 LYS HGx A 64 PHE HE% 1.0 1.8 6.5 1221 705 A 64 PHE HZ A 62 LYS HGy 1.0 1.8 4.5 1222 705 A 62 LYS HGx A 64 PHE HZ 1.0 1.8 4.5 1223 706 A 75 HIS HD2 A 62 LYS HGy 1.0 1.8 6.0 1224 706 A 62 LYS HGx A 75 HIS HD2 1.0 1.8 6.0 1225 707 A 75 HIS HE1 A 62 LYS HGy 1.0 1.8 4.5 1226 707 A 62 LYS HGx A 75 HIS HE1 1.0 1.8 4.5 1227 708 A 64 PHE HD% A 64 PHE HBy 1.0 1.8 5.9 1228 708 A 64 PHE HBx A 64 PHE HD% 1.0 1.8 5.9 1229 709 A 64 PHE HE% A 64 PHE HBy 1.0 1.8 8.0 1230 709 A 64 PHE HBx A 64 PHE HE% 1.0 1.8 8.0 1231 710 A 64 PHE HD% A 64 PHE HE% 1.0 1.8 6.9 1232 711 A 64 PHE HD% A 64 PHE HZ 1.0 1.8 5.5 1233 712 A 64 PHE HD% A 65 PRO HDy 1.0 1.8 6.5 1234 712 A 65 PRO HDx A 64 PHE HD% 1.0 1.8 6.5 1235 713 A 64 PHE HD% A 68 GLU HBy 1.0 1.8 6.5 1236 713 A 68 GLU HBx A 64 PHE HD% 1.0 1.8 6.5 1237 714 A 71 ILE HD1% A 64 PHE HD% 1.0 1.8 8.5 1238 715 A 64 PHE HD% A 71 ILE HG1x 1.0 1.8 8.0 1239 715 A 71 ILE HG1y A 64 PHE HD% 1.0 1.8 8.0 1240 716 A 71 ILE HG2% A 64 PHE HD% 1.0 1.8 6.4 1241 717 A 72 PHE HA A 64 PHE HD% 1.0 1.8 5.5 1242 718 A 64 PHE HD% A 72 PHE HBy 1.0 1.8 6.5 1243 718 A 72 PHE HBx A 64 PHE HD% 1.0 1.8 6.5 1244 719 A 64 PHE HD% A 72 PHE HD% 1.0 1.8 6.9 1245 720 A 64 PHE HD% A 72 PHE HE% 1.0 1.8 7.5 1246 721 A 64 PHE HD% A 75 HIS HBx 1.0 1.8 8.0 1247 721 A 75 HIS HBy A 64 PHE HD% 1.0 1.8 8.0 1248 722 A 64 PHE HE% A 64 PHE HZ 1.0 1.8 4.9 1249 723 A 64 PHE HE% A 68 GLU HBy 1.0 1.8 8.0 1250 723 A 68 GLU HBx A 64 PHE HE% 1.0 1.8 8.0 1251 724 A 71 ILE HD1% A 64 PHE HE% 1.0 1.8 8.5 1252 725 A 64 PHE HE% A 71 ILE HG1x 1.0 1.8 8.0 1253 725 A 71 ILE HG1y A 64 PHE HE% 1.0 1.8 8.0 1254 726 A 71 ILE HG2% A 64 PHE HE% 1.0 1.8 6.4 1255 727 A 72 PHE HA A 64 PHE HE% 1.0 1.8 7.0 1256 728 A 64 PHE HE% A 72 PHE HBy 1.0 1.8 8.0 1257 728 A 72 PHE HBx A 64 PHE HE% 1.0 1.8 8.0 1258 729 A 72 PHE HD% A 64 PHE HE% 1.0 1.8 7.5 1259 730 A 64 PHE HE% A 75 HIS HBx 1.0 1.8 8.0 1260 730 A 75 HIS HBy A 64 PHE HE% 1.0 1.8 8.0 1261 731 A 64 PHE HE% A 75 HIS HD2 1.0 1.8 5.5 1262 732 A 71 ILE HG2% A 64 PHE HZ 1.0 1.8 6.5 1263 733 A 72 PHE HA A 64 PHE HZ 1.0 1.8 5.0 1264 734 A 72 PHE HD% A 64 PHE HZ 1.0 1.8 7.0 1265 735 A 75 HIS HA A 64 PHE HZ 1.0 1.8 5.0 1266 736 A 64 PHE HZ A 75 HIS HBx 1.0 1.8 4.5 1267 736 A 75 HIS HBy A 64 PHE HZ 1.0 1.8 4.5 1268 737 A 75 HIS HD2 A 64 PHE HZ 1.0 1.8 5.0 1269 738 A 64 PHE HZ A 75 HIS HE1 1.0 1.8 5.0 1270 739 A 69 LYS HA A 72 PHE HD% 1.0 1.8 5.5 1271 740 A 69 LYS HA A 72 PHE HE% 1.0 1.8 7.0 1272 741 A 72 PHE HD% A 69 LYS HGx 1.0 1.8 6.5 1273 741 A 69 LYS HGy A 72 PHE HD% 1.0 1.8 6.5 1274 742 A 71 ILE HG2% A 72 PHE HD% 1.0 1.8 8.5 1275 743 A 72 PHE HA A 72 PHE HD% 1.0 1.8 4.9 1276 744 A 72 PHE HA A 72 PHE HE% 1.0 1.8 7.0 1277 745 A 72 PHE HD% A 72 PHE HBy 1.0 1.8 5.9 1278 745 A 72 PHE HBx A 72 PHE HD% 1.0 1.8 5.9 1279 746 A 72 PHE HE% A 72 PHE HBy 1.0 1.8 8.0 1280 746 A 72 PHE HBx A 72 PHE HE% 1.0 1.8 8.0 1281 747 A 72 PHE HD% A 72 PHE HE% 1.0 1.8 6.9 1282 748 A 72 PHE HD% A 72 PHE HZ 1.0 1.8 5.5 1283 749 A 73 GLU HA A 72 PHE HD% 1.0 1.8 5.5 1284 750 A 72 PHE HD% A 73 GLU HBx 1.0 1.8 6.5 1285 750 A 73 GLU HBy A 72 PHE HD% 1.0 1.8 6.5 1286 751 A 72 PHE HD% A 73 GLU HGx 1.0 1.8 6.5 1287 751 A 73 GLU HGy A 72 PHE HD% 1.0 1.8 6.5 1288 752 A 72 PHE HD% A 76 VAL HGx% 1.0 1.8 7.9 1289 752 A 76 VAL HGy% A 72 PHE HD% 1.0 1.8 7.9 1290 753 A 72 PHE HE% A 72 PHE HZ 1.0 1.8 4.9 1291 754 A 73 GLU HA A 72 PHE HE% 1.0 1.8 7.0 1292 755 A 72 PHE HE% A 73 GLU HGx 1.0 1.8 8.0 1293 755 A 73 GLU HGy A 72 PHE HE% 1.0 1.8 8.0 1294 756 A 72 PHE HE% A 76 VAL HGx% 1.0 1.8 7.3 1295 756 A 76 VAL HGy% A 72 PHE HE% 1.0 1.8 7.3 1296 757 A 72 PHE HZ A 76 VAL HGx% 1.0 1.8 5.9 1297 757 A 76 VAL HGy% A 72 PHE HZ 1.0 1.8 5.9 1298 758 A 74 ASP HA A 77 PHE HD% 1.0 1.8 7.0 1299 759 A 75 HIS HA A 75 HIS HD2 1.0 1.8 5.0 1300 760 A 75 HIS HA A 75 HIS HE1 1.0 1.8 5.9 1301 761 A 75 HIS HD2 A 75 HIS HBx 1.0 1.8 3.9 1302 761 A 75 HIS HBy A 75 HIS HD2 1.0 1.8 3.9 1303 762 A 75 HIS HE1 A 75 HIS HBx 1.0 1.8 6.0 1304 762 A 75 HIS HBy A 75 HIS HE1 1.0 1.8 6.0 1305 763 A 75 HIS HD2 A 75 HIS HE1 1.0 1.8 5.0 1306 764 A 76 VAL HB A 75 HIS HD2 1.0 1.8 5.0 1307 765 A 75 HIS HD2 A 76 VAL HGx% 1.0 1.8 5.3 1308 765 A 76 VAL HGy% A 75 HIS HD2 1.0 1.8 5.3 1309 766 A 75 HIS HD2 A 79 HIS HD2 1.0 1.8 3.5 1310 767 A 76 VAL HA A 79 HIS HD2 1.0 1.8 2.9 1311 768 A 76 VAL HB A 79 HIS HD2 1.0 1.8 5.5 1312 769 A 79 HIS HD2 A 76 VAL HGx% 1.0 1.8 5.3 1313 769 A 76 VAL HGy% A 79 HIS HD2 1.0 1.8 5.3 1314 770 A 77 PHE HA A 77 PHE HD% 1.0 1.8 5.5 1315 771 A 77 PHE HD% A 77 PHE HBx 1.0 1.8 5.9 1316 771 A 77 PHE HBy A 77 PHE HD% 1.0 1.8 5.9 1317 772 A 77 PHE HE% A 77 PHE HBx 1.0 1.8 6.5 1318 772 A 77 PHE HBy A 77 PHE HE% 1.0 1.8 6.5 1319 773 A 78 CYS HA A 77 PHE HD% 1.0 1.8 5.5 1320 774 A 77 PHE HD% A 81 LEU HDx% 1.0 1.8 7.9 1321 774 A 81 LEU HDy% A 77 PHE HD% 1.0 1.8 7.9 1322 775 A 81 LEU HG A 77 PHE HD% 1.0 1.8 7.0 1323 776 A 77 PHE HE% A 81 LEU HDx% 1.0 1.8 7.9 1324 776 A 81 LEU HDy% A 77 PHE HE% 1.0 1.8 7.9 1325 777 A 81 LEU HG A 77 PHE HE% 1.0 1.8 7.0 1326 778 A 79 HIS HA A 79 HIS HD2 1.0 1.8 5.0 1327 779 A 79 HIS HD2 A 79 HIS HBy 1.0 1.8 3.9 1328 779 A 79 HIS HBx A 79 HIS HD2 1.0 1.8 3.9 1329 780 A 79 HIS HD2 A 79 HIS HE1 1.0 1.8 5.0 1330 781 A 57 CYS SG A 60 CYS SG 1.0 3.6 4.2 1331 782 A 57 CYS SG A 75 HIS NE2 1.0 3.1 4.0 1332 783 A 60 CYS SG A 79 HIS NE2 1.0 3.1 4.0 1333 784 A 75 HIS NE2 A 79 HIS NE2 1.0 3.0 3.9 stop_ 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 hbond _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 55 PHE H A 64 PHE O 1.0 1.8 2.4 2 2 A 64 PHE O A 55 PHE N 1.0 2.2 3.5 3 3 A 64 PHE H A 55 PHE O 1.0 1.8 2.2 4 4 A 55 PHE O A 64 PHE N 1.0 2.2 3.3 5 5 A 68 GLU O A 72 PHE N 1.0 2.2 3.3 6 6 A 72 PHE H A 68 GLU O 1.0 1.8 2.2 7 7 A 69 LYS O A 73 GLU N 1.0 2.2 3.3 8 8 A 73 GLU H A 69 LYS O 1.0 1.8 2.2 9 9 A 70 GLN O A 74 ASP N 1.0 2.2 3.3 10 10 A 74 ASP H A 70 GLN O 1.0 1.8 2.2 11 11 A 71 ILE O A 75 HIS N 1.0 2.2 3.3 12 12 A 75 HIS H A 71 ILE O 1.0 1.8 2.2 13 13 A 72 PHE O A 76 VAL N 1.0 2.2 3.3 14 14 A 76 VAL H A 72 PHE O 1.0 1.8 2.2 15 15 A 73 GLU O A 77 PHE N 1.0 2.2 3.3 16 16 A 77 PHE H A 73 GLU O 1.0 1.8 2.2 17 17 A 74 ASP O A 78 CYS N 1.0 2.2 3.3 18 18 A 78 CYS H A 74 ASP O 1.0 1.8 2.2 19 19 A 75 HIS O A 79 HIS N 1.0 2.2 3.6 20 20 A 79 HIS H A 75 HIS O 1.0 1.8 2.5 21 21 A 76 VAL O A 80 SER N 1.0 2.2 3.3 22 22 A 80 SER H A 76 VAL O 1.0 1.8 2.2 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 54 CYS C A 55 PHE N A 55 PHE CA A 55 PHE C 1.0 -188.126 -58.294 PHI 2 2 A 54 CYS N A 54 CYS CA A 54 CYS C A 55 PHE N 1.0 127.706 186.594 PSI 3 3 A 55 PHE N A 55 PHE CA A 55 PHE C A 56 ASN N 1.0 104.064 181.456 PSI 4 4 A 56 ASN C A 57 CYS N A 57 CYS CA A 57 CYS C 1.0 -158.508 -74.552 PHI 5 5 A 56 ASN N A 56 ASN CA A 56 ASN C A 57 CYS N 1.0 111.887 134.115 PSI 6 6 A 57 CYS C A 58 PRO N A 58 PRO CA A 58 PRO C 1.0 -153.280 -38.996 PHI 7 7 A 57 CYS N A 57 CYS CA A 57 CYS C A 58 PRO N 1.0 91.413 161.053 PSI 8 8 A 59 ILE C A 60 CYS N A 60 CYS CA A 60 CYS C 1.0 -121.317 -70.517 PHI 9 9 A 59 ILE N A 59 ILE CA A 59 ILE C A 60 CYS N 1.0 -52.811 9.581 PSI 10 10 A 64 PHE N A 64 PHE CA A 64 PHE C A 65 PRO N 1.0 91.635 171.695 PSI 11 11 A 65 PRO C A 66 ALA N A 66 ALA CA A 66 ALA C 1.0 -77.811 -44.643 PHI 12 12 A 65 PRO N A 65 PRO CA A 65 PRO C A 66 ALA N 1.0 122.654 164.730 PSI 13 13 A 66 ALA C A 67 THR N A 67 THR CA A 67 THR C 1.0 -78.138 -46.246 PHI 14 14 A 66 ALA N A 66 ALA CA A 66 ALA C A 67 THR N 1.0 -43.892 -1.324 PSI 15 15 A 67 THR C A 68 GLU N A 68 GLU CA A 68 GLU C 1.0 -127.909 -49.441 PHI 16 16 A 67 THR N A 67 THR CA A 67 THR C A 68 GLU N 1.0 -41.579 29.673 PSI 17 17 A 71 ILE C A 72 PHE N A 72 PHE CA A 72 PHE C 1.0 -77.206 -51.886 PHI 18 18 A 71 ILE N A 71 ILE CA A 71 ILE C A 72 PHE N 1.0 -50.552 -31.528 PSI 19 19 A 72 PHE C A 73 GLU N A 73 GLU CA A 73 GLU C 1.0 -76.870 -50.590 PHI 20 20 A 72 PHE N A 72 PHE CA A 72 PHE C A 73 GLU N 1.0 -59.309 -22.129 PSI 21 21 A 73 GLU C A 74 ASP N A 74 ASP CA A 74 ASP C 1.0 -70.298 -51.086 PHI 22 22 A 73 GLU N A 73 GLU CA A 73 GLU C A 74 ASP N 1.0 -51.816 -25.756 PSI 23 23 A 74 ASP C A 75 HIS N A 75 HIS CA A 75 HIS C 1.0 -79.904 -50.104 PHI 24 24 A 74 ASP N A 74 ASP CA A 74 ASP C A 75 HIS N 1.0 -56.786 -26.638 PSI 25 25 A 75 HIS C A 76 VAL N A 76 VAL CA A 76 VAL C 1.0 -70.951 -55.935 PHI 26 26 A 75 HIS N A 75 HIS CA A 75 HIS C A 76 VAL N 1.0 -54.805 -34.825 PSI 27 27 A 76 VAL C A 77 PHE N A 77 PHE CA A 77 PHE C 1.0 -72.781 -53.121 PHI 28 28 A 76 VAL N A 76 VAL CA A 76 VAL C A 77 PHE N 1.0 -68.570 -25.486 PSI 29 29 A 77 PHE C A 78 CYS N A 78 CYS CA A 78 CYS C 1.0 -72.795 -51.871 PHI 30 30 A 77 PHE N A 77 PHE CA A 77 PHE C A 78 CYS N 1.0 -54.980 -31.104 PSI 31 31 A 78 CYS C A 79 HIS N A 79 HIS CA A 79 HIS C 1.0 -67.443 -48.927 PHI 32 32 A 78 CYS N A 78 CYS CA A 78 CYS C A 79 HIS N 1.0 -66.913 -18.473 PSI 33 33 A 79 HIS C A 80 SER N A 80 SER CA A 80 SER C 1.0 -76.488 -55.316 PHI 34 34 A 79 HIS N A 79 HIS CA A 79 HIS C A 80 SER N 1.0 -59.767 -7.895 PSI stop_ save_