data_5983 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of human 5-10-methenyltetrahydrofolate synthetase ; _BMRB_accession_number 5983 _BMRB_flat_file_name bmr5983.str _Entry_type original _Submission_date 2003-10-24 _Accession_date 2003-10-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Copeland Evelyne H. . 2 Ekiel Irena . . 3 Cygler Miroslaw . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 832 "13C chemical shifts" 739 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-28 original author . stop_ _Original_release_date 2004-07-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of human 5,10-methenyltetrahydrofolate synthetase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15243192 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Copeland Evelyne H. . 2 Ekiel Irena . . 3 Cygler Miroslaw . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 547 _Page_last 548 _Year 2004 _Details . loop_ _Keyword 'folic acid' 'methenyltetrahydrofolate synthetase' 'triple resonance experiments' stop_ save_ ################################## # Molecular system description # ################################## save_system_MTHFS _Saveframe_category molecular_system _Mol_system_name '5,10-methenyltetrahydrofolate synthetase' _Abbreviation_common MTHFS _Enzyme_commission_number 6.3.3.2 loop_ _Mol_system_component_name _Mol_label 'MTHFS monomer' $MTHFS_monomer 5-formyltetrahydrofolate $FON stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function synthetase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MTHFS_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '5,10-formyltetrahydrofolate synthetase' _Abbreviation_common MTHFS _Molecular_mass 23124 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 202 _Mol_residue_sequence ; AAAAVSSAKRSLRGELKQRL RAMSAEERLRQSRVLSQKVI AHSEYQKSKRISIFLSMQDE IETEEIIKDIFQRGKICFIP RYRFQSNHMDMVRIESPEEI SLLPKTSWNIPQPGEGDVRE EALSTGGLDLIFMPGLGFDK HGNRLGRGKGYYDAYLKRCL QHQEVKPYTLALAFKEQICL QVPVNENDMKVDEVLYEDSS TA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 ALA 2 -4 ALA 3 -3 ALA 4 -2 ALA 5 -1 VAL 6 1 SER 7 2 SER 8 3 ALA 9 4 LYS 10 5 ARG 11 6 SER 12 7 LEU 13 8 ARG 14 9 GLY 15 10 GLU 16 11 LEU 17 12 LYS 18 13 GLN 19 14 ARG 20 15 LEU 21 16 ARG 22 17 ALA 23 18 MET 24 19 SER 25 20 ALA 26 21 GLU 27 22 GLU 28 23 ARG 29 24 LEU 30 25 ARG 31 26 GLN 32 27 SER 33 28 ARG 34 29 VAL 35 30 LEU 36 31 SER 37 32 GLN 38 33 LYS 39 34 VAL 40 35 ILE 41 36 ALA 42 37 HIS 43 38 SER 44 39 GLU 45 40 TYR 46 41 GLN 47 42 LYS 48 43 SER 49 44 LYS 50 45 ARG 51 46 ILE 52 47 SER 53 48 ILE 54 49 PHE 55 50 LEU 56 51 SER 57 52 MET 58 53 GLN 59 54 ASP 60 55 GLU 61 56 ILE 62 57 GLU 63 58 THR 64 59 GLU 65 60 GLU 66 61 ILE 67 62 ILE 68 63 LYS 69 64 ASP 70 65 ILE 71 66 PHE 72 67 GLN 73 68 ARG 74 69 GLY 75 70 LYS 76 71 ILE 77 72 CYS 78 73 PHE 79 74 ILE 80 75 PRO 81 76 ARG 82 77 TYR 83 78 ARG 84 79 PHE 85 80 GLN 86 81 SER 87 82 ASN 88 83 HIS 89 84 MET 90 85 ASP 91 86 MET 92 87 VAL 93 88 ARG 94 89 ILE 95 90 GLU 96 91 SER 97 92 PRO 98 93 GLU 99 94 GLU 100 95 ILE 101 96 SER 102 97 LEU 103 98 LEU 104 99 PRO 105 100 LYS 106 101 THR 107 102 SER 108 103 TRP 109 104 ASN 110 105 ILE 111 106 PRO 112 107 GLN 113 108 PRO 114 109 GLY 115 110 GLU 116 111 GLY 117 112 ASP 118 113 VAL 119 114 ARG 120 115 GLU 121 116 GLU 122 117 ALA 123 118 LEU 124 119 SER 125 120 THR 126 121 GLY 127 122 GLY 128 123 LEU 129 124 ASP 130 125 LEU 131 126 ILE 132 127 PHE 133 128 MET 134 129 PRO 135 130 GLY 136 131 LEU 137 132 GLY 138 133 PHE 139 134 ASP 140 135 LYS 141 136 HIS 142 137 GLY 143 138 ASN 144 139 ARG 145 140 LEU 146 141 GLY 147 142 ARG 148 143 GLY 149 144 LYS 150 145 GLY 151 146 TYR 152 147 TYR 153 148 ASP 154 149 ALA 155 150 TYR 156 151 LEU 157 152 LYS 158 153 ARG 159 154 CYS 160 155 LEU 161 156 GLN 162 157 HIS 163 158 GLN 164 159 GLU 165 160 VAL 166 161 LYS 167 162 PRO 168 163 TYR 169 164 THR 170 165 LEU 171 166 ALA 172 167 LEU 173 168 ALA 174 169 PHE 175 170 LYS 176 171 GLU 177 172 GLN 178 173 ILE 179 174 CYS 180 175 LEU 181 176 GLN 182 177 VAL 183 178 PRO 184 179 VAL 185 180 ASN 186 181 GLU 187 182 ASN 188 183 ASP 189 184 MET 190 185 LYS 191 186 VAL 192 187 ASP 193 188 GLU 194 189 VAL 195 190 LEU 196 191 TYR 197 192 GLU 198 193 ASP 199 194 SER 200 195 SER 201 196 THR 202 197 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3HXT "Structure Of Human Mthfs" 100.00 203 100.00 100.00 1.33e-146 PDB 3HY3 "Structure Of Human Mthfs With 10-Formyltetrahydrofolate" 100.00 203 100.00 100.00 1.33e-146 PDB 3HY4 "Structure Of Human Mthfs With N5-Iminium Phosphate" 100.00 203 100.00 100.00 1.33e-146 PDB 3HY6 "Structure Of Human Mthfs With Adp" 100.00 203 100.00 100.00 1.33e-146 DBJ BAI45876 "5,10-methenyltetrahydrofolate synthetase [synthetic construct]" 100.00 203 100.00 100.00 1.33e-146 GB AAC41945 "5,10-methenyltetrahydrofolate synthetase [Homo sapiens]" 100.00 203 100.00 100.00 1.33e-146 GB AAH12417 "MTHFS protein, partial [Homo sapiens]" 95.54 193 100.00 100.00 3.00e-140 GB AAH19921 "5,10-methenyltetrahydrofolate synthetase (5-formyltetrahydrofolate cyclo-ligase) [Homo sapiens]" 100.00 203 100.00 100.00 1.33e-146 GB AIC55813 "MTHFS, partial [synthetic construct]" 100.00 203 100.00 100.00 1.33e-146 GB EAW99132 "5,10-methenyltetrahydrofolate synthetase (5-formyltetrahydrofolate cyclo-ligase) [Homo sapiens]" 100.00 203 100.00 100.00 1.33e-146 REF NP_001186687 "5-formyltetrahydrofolate cyclo-ligase isoform b [Homo sapiens]" 72.28 146 100.00 100.00 2.97e-105 REF NP_006432 "5-formyltetrahydrofolate cyclo-ligase isoform a [Homo sapiens]" 100.00 203 100.00 100.00 1.33e-146 REF XP_001154837 "PREDICTED: 5-formyltetrahydrofolate cyclo-ligase isoform X3 [Pan troglodytes]" 81.19 165 98.17 100.00 3.50e-117 REF XP_001154891 "PREDICTED: 5-formyltetrahydrofolate cyclo-ligase isoform X2 [Pan troglodytes]" 100.00 203 98.51 100.00 1.07e-144 REF XP_003275449 "PREDICTED: 5-formyltetrahydrofolate cyclo-ligase isoform 1 [Nomascus leucogenys]" 100.00 203 98.02 100.00 7.34e-145 SP P49914 "RecName: Full=5-formyltetrahydrofolate cyclo-ligase; AltName: Full=5,10-methenyl-tetrahydrofolate synthetase; Short=MTHFS; Shor" 100.00 203 100.00 100.00 1.33e-146 stop_ save_ ############# # Ligands # ############# save_FON _Saveframe_category ligand _Mol_type non-polymer _Name_common "FON (FOLINIC ACID)" _BMRB_code . _PDB_code FON _Molecular_mass 473.439 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 10:26:20 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N1 N1 N . 0 . ? C2 C2 C . 0 . ? NA2 NA2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4A C4A C . 0 . ? N5 N5 N . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? N8 N8 N . 0 . ? C8A C8A C . 0 . ? C9 C9 C . 0 . ? N10 N10 N . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C C C . 0 . ? O O O . 0 . ? N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG CG C . 0 . ? CD CD C . 0 . ? OE1 OE1 O . 0 . ? OE2 OE2 O . 0 . ? CT CT C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? CP1 CP1 C . 0 . ? O3 O3 O . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? H61 H61 H . 0 . ? H7 H7 H . 0 . ? HC72 HC72 H . 0 . ? HN8 HN8 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? HN0 HN0 H . 0 . ? H12 H12 H . 0 . ? H13 H13 H . 0 . ? H15 H15 H . 0 . ? H16 H16 H . 0 . ? HN HN H . 0 . ? HA HA H . 0 . ? HB1 HB1 H . 0 . ? HB2 HB2 H . 0 . ? HG1 HG1 H . 0 . ? HG2 HG2 H . 0 . ? HOE2 HOE2 H . 0 . ? HO2 HO2 H . 0 . ? HCP1 HCP1 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N1 C2 ? ? SING N1 C8A ? ? SING N1 HN1 ? ? SING C2 NA2 ? ? DOUB C2 N3 ? ? SING NA2 HN21 ? ? SING NA2 HN22 ? ? SING N3 C4 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? SING C4A N5 ? ? DOUB C4A C8A ? ? SING N5 C6 ? ? SING N5 CP1 ? ? SING C6 C7 ? ? SING C6 C9 ? ? SING C6 H61 ? ? SING C7 N8 ? ? SING C7 H7 ? ? SING C7 HC72 ? ? SING N8 C8A ? ? SING N8 HN8 ? ? SING C9 N10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING N10 C14 ? ? SING N10 HN0 ? ? DOUB C11 C12 ? ? SING C11 C16 ? ? SING C11 C ? ? SING C12 C13 ? ? SING C12 H12 ? ? DOUB C13 C14 ? ? SING C13 H13 ? ? SING C14 C15 ? ? DOUB C15 C16 ? ? SING C15 H15 ? ? SING C16 H16 ? ? DOUB C O ? ? SING C N ? ? SING N CA ? ? SING N HN ? ? SING CA CB ? ? SING CA CT ? ? SING CA HA ? ? SING CB CG ? ? SING CB HB1 ? ? SING CB HB2 ? ? SING CG CD ? ? SING CG HG1 ? ? SING CG HG2 ? ? DOUB CD OE1 ? ? SING CD OE2 ? ? SING OE2 HOE2 ? ? DOUB CT O1 ? ? SING CT O2 ? ? SING O2 HO2 ? ? DOUB CP1 O3 ? ? SING CP1 HCP1 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $MTHFS_monomer Human 9606 Eukaryota Metazoa Homo sapiens MTHFS stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $MTHFS_monomer 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) BL21(DE3)pLysS plasmid 'pET 11c' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MTHFS_monomer 1.5 mM 1.0 1.5 [U-15N] $FON 1.5 mM 1.0 1.5 . KCl 100 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MTHFS_monomer 1.5 mM 1.0 1.5 '[U-13C; U-15N]' $FON 1.5 mM 1.0 1.5 . KCl 100 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version 4.3 _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2.1 _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY-plus _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label . save_ save_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 0.02 M pH 6.5 0.2 n/a temperature 303 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MTHFS monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 7 SER CA C 58.62 0.25 1 2 . 7 SER HA H 4.23 0.03 1 3 . 7 SER CB C 63.36 0.25 1 4 . 7 SER HB2 H 3.48 0.03 2 5 . 7 SER C C 174.38 0.25 1 6 . 8 ALA N N 126.40 0.15 1 7 . 8 ALA H H 8.43 0.03 1 8 . 8 ALA CA C 53.53 0.25 1 9 . 8 ALA HA H 4.15 0.03 1 10 . 8 ALA CB C 18.58 0.25 1 11 . 8 ALA HB H 1.31 0.03 1 12 . 8 ALA C C 178.63 0.25 1 13 . 9 LYS N N 119.66 0.15 1 14 . 9 LYS H H 8.20 0.03 1 15 . 9 LYS CA C 58.41 0.25 1 16 . 9 LYS HA H 3.89 0.03 1 17 . 9 LYS CB C 32.95 0.25 1 18 . 9 LYS HB2 H 1.68 0.03 2 19 . 9 LYS CG C 25.91 0.25 1 20 . 9 LYS HG2 H 1.44 0.03 2 21 . 9 LYS C C 176.66 0.25 1 22 . 10 ARG N N 120.82 0.15 1 23 . 10 ARG H H 8.13 0.03 1 24 . 10 ARG CA C 57.92 0.25 1 25 . 10 ARG HA H 4.04 0.03 1 26 . 10 ARG CB C 30.44 0.25 1 27 . 10 ARG HB2 H 1.94 0.03 2 28 . 10 ARG CG C 27.59 0.25 1 29 . 10 ARG HG3 H 1.79 0.03 2 30 . 10 ARG HG2 H 1.64 0.03 2 31 . 10 ARG CD C 43.28 0.25 1 32 . 10 ARG HD3 H 2.97 0.03 2 33 . 10 ARG HD2 H 3.07 0.03 2 34 . 10 ARG C C 177.59 0.25 1 35 . 11 SER N N 116.74 0.15 1 36 . 11 SER H H 8.34 0.03 1 37 . 11 SER CA C 59.18 0.25 1 38 . 11 SER HA H 4.26 0.03 1 39 . 11 SER CB C 63.22 0.25 1 40 . 11 SER HB3 H 3.75 0.03 2 41 . 11 SER HB2 H 3.90 0.03 2 42 . 11 SER C C 175.42 0.25 1 43 . 12 LEU N N 125.60 0.15 1 44 . 12 LEU H H 8.20 0.03 1 45 . 12 LEU CA C 57.57 0.25 1 46 . 12 LEU HA H 4.04 0.03 1 47 . 12 LEU CB C 41.32 0.25 1 48 . 12 LEU HB3 H 1.66 0.03 2 49 . 12 LEU HB2 H 1.89 0.03 2 50 . 12 LEU CG C 28.13 0.25 1 51 . 12 LEU HG H 0.94 0.03 1 52 . 12 LEU C C 177.92 0.25 1 53 . 13 ARG N N 117.44 0.15 1 54 . 13 ARG H H 8.40 0.03 1 55 . 13 ARG CA C 60.46 0.25 1 56 . 13 ARG HA H 3.62 0.03 1 57 . 13 ARG CB C 29.60 0.25 1 58 . 13 ARG HB2 H 1.72 0.03 2 59 . 13 ARG CD C 42.18 0.25 1 60 . 13 ARG HD3 H 2.43 0.03 2 61 . 13 ARG HD2 H 2.26 0.03 2 62 . 13 ARG C C 177.92 0.25 1 63 . 14 GLY N N 105.30 0.15 1 64 . 14 GLY H H 7.81 0.03 1 65 . 14 GLY CA C 47.04 0.25 1 66 . 14 GLY HA3 H 3.66 0.03 2 67 . 14 GLY HA2 H 3.80 0.03 2 68 . 14 GLY C C 176.00 0.25 1 69 . 15 GLU N N 123.86 0.15 1 70 . 15 GLU H H 8.04 0.03 1 71 . 15 GLU CA C 59.06 0.25 1 72 . 15 GLU HA H 3.86 0.03 1 73 . 15 GLU CB C 29.47 0.25 1 74 . 15 GLU HB3 H 2.23 0.03 2 75 . 15 GLU HB2 H 2.12 0.03 2 76 . 15 GLU CG C 35.40 0.25 1 77 . 15 GLU HG3 H 2.24 0.03 2 78 . 15 GLU HG2 H 2.15 0.03 2 79 . 15 GLU C C 179.00 0.25 1 80 . 16 LEU N N 120.90 0.15 1 81 . 16 LEU H H 8.48 0.03 1 82 . 16 LEU CA C 59.00 0.25 1 83 . 16 LEU HA H 4.45 0.03 1 84 . 16 LEU CB C 41.35 0.25 1 85 . 16 LEU HB2 H 1.82 0.03 2 86 . 16 LEU CG C 27.22 0.25 1 87 . 16 LEU HG H 1.79 0.03 1 88 . 16 LEU CD1 C 25.08 0.25 1 89 . 16 LEU HD1 H 0.84 0.03 2 90 . 16 LEU CD2 C 23.09 0.25 1 91 . 16 LEU HD2 H 0.82 0.03 2 92 . 16 LEU C C 178.48 0.25 1 93 . 17 LYS N N 118.02 0.15 1 94 . 17 LYS H H 8.18 0.03 1 95 . 17 LYS CA C 60.01 0.25 1 96 . 17 LYS HA H 4.32 0.03 1 97 . 17 LYS CB C 31.90 0.25 1 98 . 17 LYS HB2 H 1.82 0.03 2 99 . 17 LYS CG C 25.48 0.25 1 100 . 17 LYS HG2 H 1.37 0.03 2 101 . 17 LYS CD C 32.65 0.25 1 102 . 17 LYS HD2 H 1.77 0.03 2 103 . 17 LYS C C 179.06 0.25 1 104 . 18 GLN N N 117.79 0.15 1 105 . 18 GLN H H 7.64 0.03 1 106 . 18 GLN CA C 58.75 0.25 1 107 . 18 GLN HA H 3.88 0.03 1 108 . 18 GLN CB C 27.94 0.25 1 109 . 18 GLN HB3 H 2.27 0.03 2 110 . 18 GLN HB2 H 2.09 0.03 2 111 . 18 GLN CG C 33.72 0.25 1 112 . 18 GLN HG3 H 2.45 0.03 2 113 . 18 GLN HG2 H 2.35 0.03 2 114 . 18 GLN C C 178.12 0.25 1 115 . 19 ARG N N 119.89 0.15 1 116 . 19 ARG H H 7.97 0.03 1 117 . 19 ARG CA C 59.10 0.25 1 118 . 19 ARG HA H 3.92 0.03 1 119 . 19 ARG CB C 30.83 0.25 1 120 . 19 ARG HB3 H 1.77 0.03 2 121 . 19 ARG HB2 H 1.65 0.03 2 122 . 19 ARG CG C 27.10 0.25 1 123 . 19 ARG HG3 H 1.65 0.03 2 124 . 19 ARG HG2 H 1.39 0.03 2 125 . 19 ARG CD C 44.40 0.25 1 126 . 19 ARG HD3 H 3.17 0.03 2 127 . 19 ARG HD2 H 3.28 0.03 2 128 . 19 ARG C C 178.84 0.25 1 129 . 20 LEU N N 118.02 0.15 1 130 . 20 LEU H H 8.13 0.03 1 131 . 20 LEU CA C 56.95 0.25 1 132 . 20 LEU HA H 4.05 0.03 1 133 . 20 LEU CB C 41.32 0.25 1 134 . 20 LEU HB2 H 1.82 0.03 2 135 . 20 LEU CG C 26.66 0.25 1 136 . 20 LEU HG H 0.77 0.03 1 137 . 20 LEU CD1 C 24.65 0.25 1 138 . 20 LEU HD1 H 0.88 0.03 2 139 . 20 LEU CD2 C 22.18 0.25 1 140 . 20 LEU HD2 H 0.63 0.03 2 141 . 20 LEU C C 179.06 0.25 1 142 . 21 ARG N N 119.19 0.15 1 143 . 21 ARG H H 7.80 0.03 1 144 . 21 ARG CA C 57.99 0.25 1 145 . 21 ARG HA H 3.97 0.03 1 146 . 21 ARG CB C 29.74 0.25 1 147 . 21 ARG HB2 H 1.80 0.03 2 148 . 21 ARG CG C 27.29 0.25 1 149 . 21 ARG HG2 H 1.64 0.03 2 150 . 21 ARG CD C 43.25 0.25 1 151 . 21 ARG HD2 H 3.07 0.03 2 152 . 21 ARG C C 176.20 0.25 1 153 . 22 ALA N N 118.85 0.15 1 154 . 22 ALA H H 7.18 0.03 1 155 . 22 ALA CA C 51.78 0.25 1 156 . 22 ALA HA H 4.15 0.03 1 157 . 22 ALA CB C 18.72 0.25 1 158 . 22 ALA HB H 1.36 0.03 1 159 . 22 ALA C C 176.85 0.25 1 160 . 23 MET N N 119.66 0.15 1 161 . 23 MET H H 7.04 0.03 1 162 . 23 MET CA C 55.90 0.25 1 163 . 23 MET HA H 3.99 0.03 1 164 . 23 MET CB C 33.65 0.25 1 165 . 23 MET HB3 H 2.35 0.03 2 166 . 23 MET CG C 31.12 0.25 1 167 . 23 MET C C 175.55 0.25 1 168 . 24 SER N N 122.70 0.15 1 169 . 24 SER H H 8.70 0.03 1 170 . 24 SER CA C 56.95 0.25 1 171 . 24 SER HA H 4.36 0.03 1 172 . 24 SER CB C 64.76 0.25 1 173 . 24 SER HB2 H 4.00 0.03 2 174 . 24 SER C C 174.50 0.25 1 175 . 25 ALA N N 125.85 0.15 1 176 . 25 ALA H H 8.97 0.03 1 177 . 25 ALA CA C 54.99 0.25 1 178 . 25 ALA HA H 4.01 0.03 1 179 . 25 ALA CB C 17.89 0.25 1 180 . 25 ALA HB H 1.43 0.03 1 181 . 25 ALA C C 180.67 0.25 1 182 . 26 GLU N N 117.82 0.15 1 183 . 26 GLU H H 8.89 0.03 1 184 . 26 GLU CA C 59.74 0.25 1 185 . 26 GLU HA H 3.94 0.03 1 186 . 26 GLU CB C 28.84 0.25 1 187 . 26 GLU HB3 H 1.91 0.03 2 188 . 26 GLU HB2 H 2.04 0.03 2 189 . 26 GLU CG C 36.45 0.25 1 190 . 26 GLU HG3 H 2.24 0.03 2 191 . 26 GLU HG2 H 2.36 0.03 2 192 . 26 GLU C C 178.40 0.25 1 193 . 27 GLU N N 124.68 0.15 1 194 . 27 GLU H H 8.10 0.03 1 195 . 27 GLU CA C 57.75 0.25 1 196 . 27 GLU HA H 3.90 0.03 1 197 . 27 GLU CB C 28.30 0.25 1 198 . 27 GLU HB2 H 2.00 0.03 2 199 . 27 GLU CG C 33.65 0.25 1 200 . 27 GLU HG3 H 2.36 0.03 2 201 . 27 GLU HG2 H 2.50 0.03 2 202 . 27 GLU C C 177.87 0.25 1 203 . 28 ARG N N 120.59 0.15 1 204 . 28 ARG H H 8.08 0.03 1 205 . 28 ARG CA C 58.90 0.25 1 206 . 28 ARG HA H 4.13 0.03 1 207 . 28 ARG CB C 28.38 0.25 1 208 . 28 ARG HB3 H 2.27 0.03 2 209 . 28 ARG HB2 H 2.12 0.03 2 210 . 28 ARG C C 180.44 0.25 1 211 . 29 LEU N N 122.69 0.15 1 212 . 29 LEU H H 8.10 0.03 1 213 . 29 LEU CA C 57.74 0.25 1 214 . 29 LEU HA H 4.04 0.03 1 215 . 29 LEU CB C 41.06 0.25 1 216 . 29 LEU HB3 H 1.65 0.03 2 217 . 29 LEU HB2 H 1.89 0.03 2 218 . 29 LEU CG C 28.12 0.25 1 219 . 29 LEU HG H 1.44 0.03 1 220 . 29 LEU C C 177.72 0.25 1 221 . 30 ARG N N 122.93 0.15 1 222 . 30 ARG H H 8.55 0.03 1 223 . 30 ARG CA C 60.19 0.25 1 224 . 30 ARG HA H 4.10 0.03 1 225 . 30 ARG CB C 29.80 0.25 1 226 . 30 ARG C C 179.79 0.25 1 227 . 31 GLN N N 115.96 0.15 1 228 . 31 GLN H H 8.49 0.03 1 229 . 31 GLN CA C 61.54 0.25 1 230 . 31 GLN HA H 3.81 0.03 1 231 . 31 GLN CB C 29.54 0.25 1 232 . 31 GLN HB3 H 2.24 0.03 2 233 . 31 GLN HB2 H 1.88 0.03 2 234 . 31 GLN CG C 36.00 0.25 1 235 . 31 GLN HG3 H 2.14 0.03 2 236 . 31 GLN HG2 H 2.25 0.03 2 237 . 31 GLN C C 177.79 0.25 1 238 . 32 SER N N 114.49 0.15 1 239 . 32 SER H H 7.99 0.03 1 240 . 32 SER CA C 61.57 0.25 1 241 . 32 SER HA H 4.15 0.03 1 242 . 32 SER CB C 63.17 0.25 1 243 . 32 SER HB2 H 4.24 0.03 2 244 . 32 SER C C 175.44 0.25 1 245 . 33 ARG N N 125.14 0.15 1 246 . 33 ARG H H 8.50 0.03 1 247 . 33 ARG CA C 59.44 0.25 1 248 . 33 ARG HA H 4.11 0.03 1 249 . 33 ARG CB C 29.54 0.25 1 250 . 33 ARG C C 178.81 0.25 1 251 . 34 VAL N N 120.52 0.15 1 252 . 34 VAL H H 7.66 0.03 1 253 . 34 VAL CA C 66.13 0.25 1 254 . 34 VAL HA H 3.60 0.03 1 255 . 34 VAL CB C 31.63 0.25 1 256 . 34 VAL HB H 2.20 0.03 1 257 . 34 VAL CG2 C 20.90 0.25 1 258 . 34 VAL HG2 H 0.91 0.03 2 259 . 34 VAL CG1 C 21.82 0.25 1 260 . 34 VAL HG1 H 1.06 0.03 2 261 . 34 VAL C C 179.00 0.25 1 262 . 35 LEU N N 118.35 0.15 1 263 . 35 LEU H H 8.28 0.03 1 264 . 35 LEU CA C 57.34 0.25 1 265 . 35 LEU HA H 3.86 0.03 1 266 . 35 LEU CB C 40.27 0.25 1 267 . 35 LEU HB3 H 1.78 0.03 2 268 . 35 LEU HB2 H 2.06 0.03 2 269 . 35 LEU CG C 26.40 0.25 1 270 . 35 LEU HG H 1.43 0.03 1 271 . 35 LEU C C 178.62 0.25 1 272 . 36 SER N N 116.39 0.15 1 273 . 36 SER H H 8.49 0.03 1 274 . 36 SER CA C 62.24 0.25 1 275 . 36 SER HA H 3.67 0.03 1 276 . 36 SER CB C 63.10 0.25 1 277 . 36 SER HB2 H 3.61 0.03 2 278 . 36 SER C C 174.71 0.25 1 279 . 37 GLN N N 118.22 0.15 1 280 . 37 GLN H H 7.15 0.03 1 281 . 37 GLN CA C 58.30 0.25 1 282 . 37 GLN HA H 3.90 0.03 1 283 . 37 GLN CB C 28.00 0.25 1 284 . 37 GLN HB2 H 2.06 0.03 2 285 . 37 GLN CG C 33.72 0.25 1 286 . 37 GLN HG3 H 2.36 0.03 2 287 . 37 GLN HG2 H 2.57 0.03 2 288 . 37 GLN C C 178.30 0.25 1 289 . 38 LYS N N 119.03 0.15 1 290 . 38 LYS H H 7.38 0.03 1 291 . 38 LYS CA C 59.10 0.25 1 292 . 38 LYS HA H 4.12 0.03 1 293 . 38 LYS CB C 32.81 0.25 1 294 . 38 LYS HB3 H 1.62 0.03 2 295 . 38 LYS HB2 H 1.43 0.03 2 296 . 38 LYS CG C 25.20 0.25 1 297 . 38 LYS HG2 H 1.38 0.03 2 298 . 38 LYS CD C 28.91 0.25 1 299 . 38 LYS HD2 H 1.63 0.03 2 300 . 38 LYS CE C 41.70 0.25 1 301 . 38 LYS HE2 H 2.87 0.03 2 302 . 38 LYS C C 178.70 0.25 1 303 . 39 VAL N N 119.74 0.15 1 304 . 39 VAL H H 8.34 0.03 1 305 . 39 VAL CA C 66.80 0.25 1 306 . 39 VAL HA H 3.11 0.03 1 307 . 39 VAL CB C 31.07 0.25 1 308 . 39 VAL HB H 1.76 0.03 1 309 . 39 VAL CG2 C 20.64 0.25 1 310 . 39 VAL HG2 H 0.82 0.03 2 311 . 39 VAL CG1 C 22.15 0.25 1 312 . 39 VAL HG1 H 0.23 0.03 2 313 . 39 VAL C C 176.37 0.25 1 314 . 40 ILE N N 116.38 0.15 1 315 . 40 ILE H H 7.50 0.03 1 316 . 40 ILE CA C 64.16 0.25 1 317 . 40 ILE HA H 3.53 0.03 1 318 . 40 ILE CB C 37.85 0.25 1 319 . 40 ILE HB H 1.53 0.03 1 320 . 40 ILE CG1 C 28.89 0.25 2 321 . 40 ILE HG13 H 0.94 0.03 1 322 . 40 ILE HG12 H 1.22 0.03 1 323 . 40 ILE CD1 C 13.33 0.25 1 324 . 40 ILE HD1 H 0.50 0.03 1 325 . 40 ILE CG2 C 17.16 0.25 1 326 . 40 ILE HG2 H 0.81 0.03 1 327 . 40 ILE C C 175.96 0.25 1 328 . 41 ALA N N 118.92 0.15 1 329 . 41 ALA H H 6.87 0.03 1 330 . 41 ALA CA C 51.40 0.25 1 331 . 41 ALA HA H 4.22 0.03 1 332 . 41 ALA CB C 19.38 0.25 1 333 . 41 ALA HB H 1.48 0.03 1 334 . 41 ALA C C 176.01 0.25 1 335 . 42 HIS N N 124.88 0.15 1 336 . 42 HIS H H 8.10 0.03 1 337 . 42 HIS CA C 58.40 0.25 1 338 . 42 HIS HA H 4.10 0.03 1 339 . 42 HIS CB C 32.48 0.25 1 340 . 42 HIS HB3 H 3.37 0.03 2 341 . 42 HIS HB2 H 3.31 0.03 2 342 . 42 HIS C C 177.45 0.25 1 343 . 43 SER N N 124.85 0.15 1 344 . 43 SER H H 8.82 0.03 1 345 . 43 SER CA C 54.37 0.25 1 346 . 43 SER HA H 3.02 0.03 1 347 . 43 SER CB C 62.58 0.25 1 348 . 43 SER HB3 H 3.67 0.03 2 349 . 43 SER HB2 H 3.55 0.03 2 350 . 43 SER C C 176.96 0.25 1 351 . 44 GLU N N 123.24 0.15 1 352 . 44 GLU H H 10.14 0.03 1 353 . 44 GLU CA C 57.93 0.25 1 354 . 44 GLU HA H 3.90 0.03 1 355 . 44 GLU CB C 28.15 0.25 1 356 . 44 GLU HB2 H 1.46 0.03 2 357 . 44 GLU C C 179.42 0.25 1 358 . 45 TYR N N 121.21 0.15 1 359 . 45 TYR H H 7.34 0.03 1 360 . 45 TYR CA C 61.42 0.25 1 361 . 45 TYR HA H 3.86 0.03 1 362 . 45 TYR CB C 38.78 0.25 1 363 . 45 TYR HB2 H 3.46 0.03 2 364 . 45 TYR C C 177.21 0.25 1 365 . 46 GLN N N 116.73 0.15 1 366 . 46 GLN H H 8.42 0.03 1 367 . 46 GLN CA C 59.53 0.25 1 368 . 46 GLN HA H 3.39 0.03 1 369 . 46 GLN CB C 27.53 0.25 1 370 . 46 GLN HB3 H 1.82 0.03 2 371 . 46 GLN HB2 H 1.63 0.03 2 372 . 46 GLN CG C 31.00 0.25 1 373 . 46 GLN HG2 H 1.77 0.03 2 374 . 46 GLN C C 178.16 0.25 1 375 . 47 LYS N N 115.37 0.15 1 376 . 47 LYS H H 7.41 0.03 1 377 . 47 LYS CA C 57.34 0.25 1 378 . 47 LYS HA H 3.98 0.03 1 379 . 47 LYS CB C 32.95 0.25 1 380 . 47 LYS HB2 H 1.72 0.03 2 381 . 47 LYS CG C 24.12 0.25 1 382 . 47 LYS HG2 H 1.35 0.03 2 383 . 47 LYS CD C 29.04 0.25 1 384 . 47 LYS HD2 H 1.52 0.03 2 385 . 47 LYS CE C 41.86 0.25 1 386 . 47 LYS HE2 H 2.97 0.03 2 387 . 47 LYS C C 176.70 0.25 1 388 . 48 SER N N 116.60 0.15 1 389 . 48 SER H H 7.11 0.03 1 390 . 48 SER CA C 60.85 0.25 1 391 . 48 SER HA H 3.90 0.03 1 392 . 48 SER CB C 64.43 0.25 1 393 . 48 SER HB2 H 3.53 0.03 2 394 . 48 SER C C 171.88 0.25 1 395 . 49 LYS N N 122.95 0.15 1 396 . 49 LYS H H 8.96 0.03 1 397 . 49 LYS CA C 57.18 0.25 1 398 . 49 LYS HA H 4.36 0.03 1 399 . 49 LYS CB C 34.65 0.25 1 400 . 49 LYS HB3 H 1.76 0.03 2 401 . 49 LYS HB2 H 2.02 0.03 2 402 . 49 LYS CG C 25.00 0.25 1 403 . 49 LYS HG2 H 1.58 0.03 2 404 . 49 LYS CD C 24.59 0.25 1 405 . 49 LYS HD3 H 0.78 0.03 2 406 . 49 LYS HD2 H 0.91 0.03 2 407 . 49 LYS C C 177.24 0.25 1 408 . 50 ARG N N 120.78 0.15 1 409 . 50 ARG H H 8.73 0.03 1 410 . 50 ARG CA C 55.67 0.25 1 411 . 50 ARG HA H 4.75 0.03 1 412 . 50 ARG CB C 32.10 0.25 1 413 . 50 ARG HB2 H 1.58 0.03 2 414 . 50 ARG C C 174.70 0.25 1 415 . 51 ILE N N 126.46 0.15 1 416 . 51 ILE H H 8.99 0.03 1 417 . 51 ILE CA C 59.63 0.25 1 418 . 51 ILE HA H 4.99 0.03 1 419 . 51 ILE CB C 42.47 0.25 1 420 . 51 ILE HB H 1.75 0.03 1 421 . 51 ILE CG1 C 28.30 0.25 2 422 . 51 ILE HG13 H 1.12 0.03 1 423 . 51 ILE HG12 H 1.38 0.03 1 424 . 51 ILE CD1 C 15.37 0.25 1 425 . 51 ILE HD1 H 0.78 0.03 1 426 . 51 ILE CG2 C 18.63 0.25 1 427 . 51 ILE HG2 H 1.04 0.03 1 428 . 51 ILE C C 173.79 0.25 1 429 . 52 SER N N 119.42 0.15 1 430 . 52 SER H H 8.57 0.03 1 431 . 52 SER CA C 54.63 0.25 1 432 . 52 SER HA H 5.98 0.03 1 433 . 52 SER CB C 63.70 0.25 1 434 . 52 SER HB3 H 3.70 0.03 2 435 . 52 SER HB2 H 3.87 0.03 2 436 . 52 SER C C 172.45 0.25 1 437 . 53 ILE N N 131.89 0.15 1 438 . 53 ILE H H 9.40 0.03 1 439 . 53 ILE CA C 58.32 0.25 1 440 . 53 ILE HA H 3.80 0.03 1 441 . 53 ILE CB C 41.34 0.25 1 442 . 53 ILE HB H 1.81 0.03 1 443 . 53 ILE CG1 C 26.35 0.25 2 444 . 53 ILE HG13 H 1.17 0.03 1 445 . 53 ILE HG12 H 1.50 0.03 1 446 . 53 ILE CD1 C 13.08 0.25 1 447 . 53 ILE HD1 H 0.82 0.03 1 448 . 53 ILE CG2 C 17.89 0.25 1 449 . 53 ILE HG2 H 1.26 0.03 1 450 . 54 PHE N N 116.36 0.15 1 451 . 54 PHE H H 5.56 0.03 1 452 . 54 PHE CA C 53.20 0.25 1 453 . 54 PHE HA H 4.86 0.03 1 454 . 54 PHE CB C 39.70 0.25 1 455 . 54 PHE HB3 H 2.67 0.03 2 456 . 54 PHE HB2 H 2.60 0.03 2 457 . 54 PHE C C 172.22 0.25 1 458 . 55 LEU N N 121.95 0.15 1 459 . 55 LEU H H 9.80 0.03 1 460 . 55 LEU CA C 53.22 0.25 1 461 . 55 LEU HA H 4.86 0.03 1 462 . 55 LEU CB C 40.12 0.25 1 463 . 55 LEU HB3 H 2.34 0.03 2 464 . 55 LEU HB2 H 2.49 0.03 2 465 . 55 LEU CG C 28.29 0.25 1 466 . 55 LEU C C 176.73 0.25 1 467 . 56 SER N N 119.08 0.15 1 468 . 56 SER H H 8.01 0.03 1 469 . 56 SER CA C 61.45 0.25 1 470 . 56 SER HA H 4.17 0.03 1 471 . 56 SER CB C 62.76 0.25 1 472 . 56 SER HB2 H 4.14 0.03 2 473 . 56 SER C C 175.66 0.25 1 474 . 57 MET N N 124.88 0.15 1 475 . 57 MET H H 9.71 0.03 1 476 . 57 MET CA C 54.65 0.25 1 477 . 57 MET HA H 4.84 0.03 1 478 . 57 MET CB C 35.07 0.25 1 479 . 57 MET HB2 H 1.62 0.03 2 480 . 57 MET CG C 32.67 0.25 1 481 . 57 MET HG2 H 2.52 0.03 2 482 . 57 MET C C 176.97 0.25 1 483 . 58 GLN N N 118.08 0.15 1 484 . 58 GLN H H 8.58 0.03 1 485 . 58 GLN CA C 57.93 0.25 1 486 . 58 GLN HA H 3.98 0.03 1 487 . 58 GLN CB C 28.24 0.25 1 488 . 58 GLN HB2 H 2.00 0.03 2 489 . 58 GLN CG C 33.80 0.25 1 490 . 58 GLN HG3 H 2.50 0.03 2 491 . 58 GLN HG2 H 2.35 0.03 2 492 . 58 GLN C C 174.65 0.25 1 493 . 59 ASP N N 115.30 0.15 1 494 . 59 ASP H H 8.10 0.03 1 495 . 59 ASP CA C 51.80 0.25 1 496 . 59 ASP HA H 4.49 0.03 1 497 . 59 ASP CB C 39.05 0.25 1 498 . 59 ASP HB3 H 2.45 0.03 2 499 . 59 ASP HB2 H 2.29 0.03 2 500 . 59 ASP C C 173.21 0.25 1 501 . 60 GLU N N 115.34 0.15 1 502 . 60 GLU H H 7.38 0.03 1 503 . 60 GLU CA C 53.78 0.25 1 504 . 60 GLU HA H 4.53 0.03 1 505 . 60 GLU CB C 34.60 0.25 1 506 . 60 GLU HB3 H 1.52 0.03 2 507 . 60 GLU HB2 H 1.78 0.03 2 508 . 60 GLU CG C 38.91 0.25 1 509 . 60 GLU HG2 H 1.99 0.03 2 510 . 60 GLU C C 175.87 0.25 1 511 . 61 ILE N N 124.09 0.15 1 512 . 61 ILE H H 7.94 0.03 1 513 . 61 ILE CA C 58.87 0.25 1 514 . 61 ILE HA H 3.16 0.03 1 515 . 61 ILE CB C 36.44 0.25 1 516 . 61 ILE HB H 1.35 0.03 1 517 . 61 ILE CG1 C 25.15 0.25 2 518 . 61 ILE CD1 C 11.24 0.25 1 519 . 61 ILE HD1 H 0.11 0.03 1 520 . 61 ILE CG2 C 16.74 0.25 1 521 . 61 ILE HG2 H 0.41 0.03 1 522 . 61 ILE C C 175.32 0.25 1 523 . 62 GLU N N 127.23 0.15 1 524 . 62 GLU H H 8.51 0.03 1 525 . 62 GLU CA C 55.39 0.25 1 526 . 62 GLU HA H 4.20 0.03 1 527 . 62 GLU CB C 29.48 0.25 1 528 . 62 GLU HB3 H 1.90 0.03 2 529 . 62 GLU HB2 H 2.02 0.03 2 530 . 62 GLU CG C 35.70 0.25 1 531 . 62 GLU HG3 H 2.24 0.03 2 532 . 62 GLU HG2 H 2.15 0.03 2 533 . 62 GLU C C 176.75 0.25 1 534 . 63 THR N N 118.38 0.15 1 535 . 63 THR H H 8.42 0.03 1 536 . 63 THR CA C 61.45 0.25 1 537 . 63 THR HA H 3.75 0.03 1 538 . 63 THR CB C 69.84 0.25 1 539 . 63 THR HB H 4.02 0.03 1 540 . 63 THR CG2 C 20.96 0.25 1 541 . 63 THR HG2 H 0.08 0.03 1 542 . 63 THR C C 176.26 0.25 1 543 . 64 GLU N N 125.13 0.15 1 544 . 64 GLU H H 9.53 0.03 1 545 . 64 GLU CA C 61.24 0.25 1 546 . 64 GLU HA H 3.90 0.03 1 547 . 64 GLU CB C 29.03 0.25 1 548 . 64 GLU HB2 H 2.06 0.03 2 549 . 64 GLU CG C 34.03 0.25 1 550 . 64 GLU HG2 H 2.31 0.03 2 551 . 64 GLU C C 176.91 0.25 1 552 . 65 GLU N N 117.33 0.15 1 553 . 65 GLU H H 8.73 0.03 1 554 . 65 GLU CA C 59.48 0.25 1 555 . 65 GLU HA H 3.93 0.03 1 556 . 65 GLU CB C 29.04 0.25 1 557 . 65 GLU HB3 H 2.53 0.03 2 558 . 65 GLU HB2 H 2.74 0.03 2 559 . 65 GLU CG C 36.20 0.25 1 560 . 65 GLU HG3 H 2.04 0.03 2 561 . 65 GLU HG2 H 2.24 0.03 2 562 . 65 GLU C C 179.22 0.25 1 563 . 66 ILE N N 121.06 0.15 1 564 . 66 ILE H H 7.44 0.03 1 565 . 66 ILE CA C 64.60 0.25 1 566 . 66 ILE HA H 3.24 0.03 1 567 . 66 ILE CB C 37.90 0.25 1 568 . 66 ILE HB H 1.36 0.03 1 569 . 66 ILE CG1 C 28.26 0.25 2 570 . 66 ILE HG12 H 0.30 0.03 1 571 . 66 ILE CD1 C 14.60 0.25 1 572 . 66 ILE HD1 H 0.29 0.03 1 573 . 66 ILE CG2 C 17.51 0.25 1 574 . 66 ILE HG2 H 0.30 0.03 1 575 . 66 ILE C C 176.40 0.25 1 576 . 67 ILE N N 119.70 0.15 1 577 . 67 ILE H H 7.91 0.03 1 578 . 67 ILE CA C 66.25 0.25 1 579 . 67 ILE HA H 3.30 0.03 1 580 . 67 ILE CB C 37.67 0.25 1 581 . 67 ILE HB H 1.77 0.03 1 582 . 67 ILE CG1 C 30.27 0.25 2 583 . 67 ILE HG12 H 1.64 0.03 1 584 . 67 ILE CD1 C 13.87 0.25 1 585 . 67 ILE HD1 H 0.95 0.03 1 586 . 67 ILE CG2 C 18.32 0.25 1 587 . 67 ILE HG2 H 0.50 0.03 1 588 . 67 ILE C C 176.77 0.25 1 589 . 68 LYS N N 116.59 0.15 1 590 . 68 LYS H H 7.76 0.03 1 591 . 68 LYS CA C 60.30 0.25 1 592 . 68 LYS HA H 3.84 0.03 1 593 . 68 LYS CB C 32.10 0.25 1 594 . 68 LYS HB2 H 1.77 0.03 2 595 . 68 LYS CG C 25.60 0.25 1 596 . 68 LYS C C 178.54 0.25 1 597 . 69 ASP N N 121.77 0.15 1 598 . 69 ASP H H 7.44 0.03 1 599 . 69 ASP CA C 58.69 0.25 1 600 . 69 ASP HA H 4.16 0.03 1 601 . 69 ASP CB C 42.57 0.25 1 602 . 69 ASP HB2 H 2.40 0.03 2 603 . 69 ASP C C 176.05 0.25 1 604 . 70 ILE N N 121.65 0.15 1 605 . 70 ILE H H 8.76 0.03 1 606 . 70 ILE CA C 65.80 0.25 1 607 . 70 ILE HA H 3.31 0.03 1 608 . 70 ILE CB C 37.76 0.25 1 609 . 70 ILE HB H 1.79 0.03 1 610 . 70 ILE CG1 C 29.90 0.25 2 611 . 70 ILE HG12 H 0.88 0.03 1 612 . 70 ILE CD1 C 13.76 0.25 1 613 . 70 ILE HD1 H 0.87 0.03 1 614 . 70 ILE CG2 C 17.69 0.25 1 615 . 70 ILE HG2 H 0.30 0.03 1 616 . 70 ILE C C 177.60 0.25 1 617 . 71 PHE N N 114.70 0.15 1 618 . 71 PHE H H 7.47 0.03 1 619 . 71 PHE CA C 62.27 0.25 1 620 . 71 PHE HA H 4.13 0.03 1 621 . 71 PHE CB C 38.80 0.25 1 622 . 71 PHE HB3 H 2.94 0.03 2 623 . 71 PHE HB2 H 3.33 0.03 2 624 . 71 PHE C C 179.96 0.25 1 625 . 72 GLN N N 122.94 0.15 1 626 . 72 GLN H H 8.35 0.03 1 627 . 72 GLN CA C 58.83 0.25 1 628 . 72 GLN HA H 4.04 0.03 1 629 . 72 GLN CB C 28.11 0.25 1 630 . 72 GLN HB3 H 2.26 0.03 2 631 . 72 GLN HB2 H 2.09 0.03 2 632 . 72 GLN CG C 33.80 0.25 1 633 . 72 GLN HG3 H 2.50 0.03 2 634 . 72 GLN HG2 H 2.35 0.03 2 635 . 72 GLN C C 177.73 0.25 1 636 . 73 ARG N N 115.50 0.15 1 637 . 73 ARG H H 8.16 0.03 1 638 . 73 ARG CA C 55.94 0.25 1 639 . 73 ARG HA H 4.21 0.03 1 640 . 73 ARG CB C 30.42 0.25 1 641 . 73 ARG HB3 H 1.65 0.03 2 642 . 73 ARG HB2 H 1.95 0.03 2 643 . 73 ARG CG C 27.26 0.25 1 644 . 73 ARG HG2 H 1.60 0.03 2 645 . 73 ARG CD C 43.28 0.25 1 646 . 73 ARG HD2 H 3.07 0.03 2 647 . 73 ARG C C 176.30 0.25 1 648 . 74 GLY N N 108.52 0.15 1 649 . 74 GLY H H 7.82 0.03 1 650 . 74 GLY CA C 46.24 0.25 1 651 . 74 GLY HA3 H 3.76 0.03 2 652 . 74 GLY HA2 H 3.90 0.03 2 653 . 74 GLY C C 174.60 0.25 1 654 . 75 LYS N N 119.63 0.15 1 655 . 75 LYS H H 7.74 0.03 1 656 . 75 LYS CA C 55.76 0.25 1 657 . 75 LYS HA H 4.28 0.03 1 658 . 75 LYS CB C 33.52 0.25 1 659 . 75 LYS HB2 H 1.73 0.03 2 660 . 75 LYS C C 172.43 0.25 1 661 . 76 ILE N N 120.53 0.15 1 662 . 76 ILE H H 8.64 0.03 1 663 . 76 ILE CA C 60.57 0.25 1 664 . 76 ILE HA H 3.64 0.03 1 665 . 76 ILE CB C 37.60 0.25 1 666 . 76 ILE HB H 1.79 0.03 1 667 . 76 ILE CG1 C 27.40 0.25 2 668 . 76 ILE HG13 H 1.07 0.03 1 669 . 76 ILE HG12 H 1.37 0.03 1 670 . 76 ILE CD1 C 11.60 0.25 1 671 . 76 ILE HD1 H 0.70 0.03 1 672 . 76 ILE CG2 C 17.93 0.25 1 673 . 76 ILE HG2 H 0.82 0.03 1 674 . 76 ILE C C 172.90 0.25 1 675 . 77 CYS N N 128.51 0.15 1 676 . 77 CYS H H 8.34 0.03 1 677 . 77 CYS CA C 58.78 0.25 1 678 . 77 CYS HA H 4.53 0.03 1 679 . 77 CYS CB C 30.30 0.25 1 680 . 77 CYS HB2 H 2.65 0.03 2 681 . 77 CYS C C 171.19 0.25 1 682 . 78 PHE N N 126.78 0.15 1 683 . 78 PHE H H 9.28 0.03 1 684 . 78 PHE CA C 56.00 0.25 1 685 . 78 PHE HA H 5.04 0.03 1 686 . 78 PHE CB C 42.30 0.25 1 687 . 78 PHE HB3 H 2.55 0.03 2 688 . 78 PHE HB2 H 2.48 0.03 2 689 . 78 PHE C C 174.00 0.25 1 690 . 79 ILE N N 113.78 0.15 1 691 . 79 ILE H H 9.08 0.03 1 692 . 79 ILE CA C 57.15 0.25 1 693 . 79 ILE HA H 5.75 0.03 1 694 . 79 ILE CB C 39.50 0.25 1 695 . 79 ILE HB H 2.07 0.03 1 696 . 79 ILE CG1 C 25.15 0.25 2 697 . 79 ILE HG12 H 1.38 0.03 1 698 . 79 ILE CD1 C 12.75 0.25 1 699 . 79 ILE HD1 H 0.75 0.03 1 700 . 79 ILE CG2 C 16.84 0.25 1 701 . 79 ILE HG2 H 0.87 0.03 1 702 . 79 ILE C C 173.01 0.25 1 703 . 81 ARG N N 128.20 0.15 1 704 . 81 ARG H H 9.84 0.03 1 705 . 81 ARG CA C 52.88 0.25 1 706 . 81 ARG HA H 5.09 0.03 1 707 . 81 ARG CB C 32.51 0.25 1 708 . 81 ARG C C 174.68 0.25 1 709 . 82 TYR N N 117.01 0.15 1 710 . 82 TYR H H 9.71 0.03 1 711 . 82 TYR CA C 58.39 0.25 1 712 . 82 TYR HA H 5.51 0.03 1 713 . 82 TYR CB C 34.61 0.25 1 714 . 82 TYR HB2 H 1.88 0.03 2 715 . 82 TYR C C 175.30 0.25 1 716 . 83 ARG N N 124.91 0.15 1 717 . 83 ARG H H 8.54 0.03 1 718 . 83 ARG CA C 56.70 0.25 1 719 . 83 ARG HA H 4.05 0.03 1 720 . 83 ARG CB C 32.01 0.25 1 721 . 83 ARG HB3 H 1.77 0.03 2 722 . 83 ARG C C 176.45 0.25 1 723 . 84 PHE N N 121.53 0.15 1 724 . 84 PHE H H 8.08 0.03 1 725 . 84 PHE CA C 58.64 0.25 1 726 . 84 PHE HA H 4.46 0.03 1 727 . 84 PHE CB C 40.82 0.25 1 728 . 84 PHE C C 175.10 0.25 1 729 . 85 GLN N N 121.89 0.15 1 730 . 85 GLN H H 9.27 0.03 1 731 . 85 GLN CA C 57.34 0.25 1 732 . 85 GLN HA H 4.24 0.03 1 733 . 85 GLN CB C 31.11 0.25 1 734 . 85 GLN HB3 H 2.02 0.03 2 735 . 85 GLN HB2 H 1.83 0.03 2 736 . 85 GLN CG C 33.19 0.25 1 737 . 85 GLN HG2 H 2.04 0.03 2 738 . 85 GLN C C 175.60 0.25 1 739 . 86 SER N N 112.50 0.15 1 740 . 86 SER H H 7.35 0.03 1 741 . 86 SER CA C 55.40 0.25 1 742 . 86 SER HA H 3.58 0.03 1 743 . 86 SER CB C 63.30 0.25 1 744 . 86 SER HB2 H 3.79 0.03 2 745 . 86 SER C C 172.33 0.25 1 746 . 87 ASN N N 118.14 0.15 1 747 . 87 ASN H H 8.41 0.03 1 748 . 87 ASN CA C 56.04 0.25 1 749 . 87 ASN HA H 4.82 0.03 1 750 . 87 ASN CB C 40.07 0.25 1 751 . 87 ASN HB3 H 2.58 0.03 2 752 . 87 ASN HB2 H 2.45 0.03 2 753 . 87 ASN C C 173.31 0.25 1 754 . 88 HIS N N 122.23 0.15 1 755 . 88 HIS H H 8.44 0.03 1 756 . 88 HIS CA C 58.03 0.25 1 757 . 88 HIS HA H 4.23 0.03 1 758 . 88 HIS CB C 32.01 0.25 1 759 . 88 HIS HB2 H 2.96 0.03 2 760 . 88 HIS C C 172.40 0.25 1 761 . 89 MET N N 126.08 0.15 1 762 . 89 MET H H 7.26 0.03 1 763 . 89 MET CA C 54.11 0.25 1 764 . 89 MET HA H 4.78 0.03 1 765 . 89 MET CB C 37.06 0.25 1 766 . 89 MET HB2 H 1.63 0.03 2 767 . 89 MET CG C 31.28 0.25 1 768 . 89 MET HG3 H 1.83 0.03 2 769 . 89 MET HG2 H 1.97 0.03 2 770 . 89 MET CE C 20.90 0.25 1 771 . 89 MET HE H 0.90 0.03 1 772 . 89 MET C C 170.70 0.25 1 773 . 90 ASP N N 120.71 0.15 1 774 . 90 ASP H H 8.34 0.03 1 775 . 90 ASP CA C 52.24 0.25 1 776 . 90 ASP HA H 5.07 0.03 1 777 . 90 ASP CB C 45.96 0.25 1 778 . 90 ASP HB2 H 2.73 0.03 2 779 . 90 ASP C C 173.49 0.25 1 780 . 91 MET N N 120.24 0.15 1 781 . 91 MET H H 9.86 0.03 1 782 . 91 MET CA C 51.96 0.25 1 783 . 91 MET HA H 4.22 0.03 1 784 . 91 MET CB C 37.30 0.25 1 785 . 91 MET HB3 H 2.42 0.03 2 786 . 91 MET HB2 H 2.52 0.03 2 787 . 91 MET C C 174.38 0.25 1 788 . 92 VAL N N 119.78 0.15 1 789 . 92 VAL H H 8.34 0.03 1 790 . 92 VAL CA C 62.79 0.25 1 791 . 92 VAL HA H 4.90 0.03 1 792 . 92 VAL CB C 32.69 0.25 1 793 . 92 VAL HB H 2.19 0.03 1 794 . 92 VAL CG1 C 21.05 0.25 1 795 . 92 VAL HG1 H 0.43 0.03 2 796 . 92 VAL C C 176.97 0.25 1 797 . 93 ARG N N 119.78 0.15 1 798 . 93 ARG H H 8.67 0.03 1 799 . 93 ARG CA C 54.90 0.25 1 800 . 93 ARG HA H 4.58 0.03 1 801 . 93 ARG CB C 31.36 0.25 1 802 . 93 ARG HB2 H 2.19 0.03 2 803 . 93 ARG C C 174.10 0.25 1 804 . 94 ILE N N 124.45 0.15 1 805 . 94 ILE H H 9.10 0.03 1 806 . 94 ILE CA C 58.59 0.25 1 807 . 94 ILE HA H 4.34 0.03 1 808 . 94 ILE CB C 38.70 0.25 1 809 . 94 ILE C C 175.63 0.25 1 810 . 95 GLU N N 118.24 0.15 1 811 . 95 GLU H H 8.73 0.03 1 812 . 95 GLU CA C 56.80 0.25 1 813 . 95 GLU HA H 3.88 0.03 1 814 . 95 GLU CB C 27.27 0.25 1 815 . 95 GLU HB2 H 1.79 0.03 2 816 . 95 GLU CG C 34.07 0.25 1 817 . 95 GLU HG3 H 1.89 0.03 2 818 . 95 GLU HG2 H 2.06 0.03 2 819 . 95 GLU C C 174.33 0.25 1 820 . 96 SER N N 113.16 0.15 1 821 . 96 SER H H 7.61 0.03 1 822 . 96 SER CA C 56.60 0.25 1 823 . 96 SER HA H 4.53 0.03 1 824 . 96 SER CB C 64.86 0.25 1 825 . 96 SER HB3 H 3.90 0.03 2 826 . 96 SER HB2 H 3.81 0.03 2 827 . 96 SER C C 171.59 0.25 1 828 . 97 PRO CA C 63.87 0.25 1 829 . 97 PRO HA H 3.83 0.03 1 830 . 97 PRO CB C 30.85 0.25 1 831 . 97 PRO HB3 H 2.02 0.03 2 832 . 97 PRO HB2 H 1.73 0.03 2 833 . 97 PRO CG C 27.26 0.25 1 834 . 97 PRO HG3 H 1.82 0.03 2 835 . 97 PRO HG2 H 1.53 0.03 2 836 . 97 PRO CD C 49.85 0.25 1 837 . 97 PRO HD3 H 3.40 0.03 2 838 . 97 PRO HD2 H 3.58 0.03 2 839 . 97 PRO C C 178.62 0.25 1 840 . 98 GLU N N 117.91 0.15 1 841 . 98 GLU H H 8.29 0.03 1 842 . 98 GLU CA C 59.25 0.25 1 843 . 98 GLU HA H 3.85 0.03 1 844 . 98 GLU CB C 28.43 0.25 1 845 . 98 GLU HB2 H 1.81 0.03 2 846 . 98 GLU CG C 36.87 0.25 1 847 . 98 GLU HG3 H 2.22 0.03 2 848 . 98 GLU HG2 H 2.06 0.03 2 849 . 98 GLU C C 177.75 0.25 1 850 . 99 GLU N N 118.15 0.15 1 851 . 99 GLU H H 7.50 0.03 1 852 . 99 GLU CA C 59.00 0.25 1 853 . 99 GLU HA H 3.77 0.03 1 854 . 99 GLU CB C 29.80 0.25 1 855 . 99 GLU HB2 H 1.96 0.03 2 856 . 99 GLU CG C 36.20 0.25 1 857 . 99 GLU HG2 H 2.16 0.03 2 858 . 99 GLU C C 178.29 0.25 1 859 . 100 ILE N N 116.95 0.15 1 860 . 100 ILE H H 7.16 0.03 1 861 . 100 ILE CA C 65.20 0.25 1 862 . 100 ILE HA H 3.33 0.03 1 863 . 100 ILE CB C 37.50 0.25 1 864 . 100 ILE HB H 1.85 0.03 1 865 . 100 ILE CG1 C 29.96 0.25 2 866 . 100 ILE HG13 H 1.04 0.03 1 867 . 100 ILE HG12 H 0.95 0.03 1 868 . 100 ILE CD1 C 13.69 0.25 1 869 . 100 ILE HD1 H 0.95 0.03 1 870 . 100 ILE CG2 C 17.52 0.25 1 871 . 100 ILE HG2 H 0.89 0.03 1 872 . 100 ILE C C 177.49 0.25 1 873 . 101 SER N N 112.89 0.15 1 874 . 101 SER H H 7.50 0.03 1 875 . 101 SER CA C 60.19 0.25 1 876 . 101 SER HA H 4.14 0.03 1 877 . 101 SER CB C 63.00 0.25 1 878 . 101 SER HB2 H 3.81 0.03 2 879 . 101 SER C C 173.78 0.25 1 880 . 102 LEU N N 119.75 0.15 1 881 . 102 LEU H H 7.32 0.03 1 882 . 102 LEU CA C 54.09 0.25 1 883 . 102 LEU HA H 4.29 0.03 1 884 . 102 LEU CB C 42.30 0.25 1 885 . 102 LEU HB2 H 1.63 0.03 2 886 . 102 LEU CG C 28.09 0.25 1 887 . 102 LEU HG H 1.29 0.03 1 888 . 102 LEU CD1 C 25.39 0.25 1 889 . 102 LEU HD1 H 1.09 0.03 2 890 . 102 LEU CD2 C 24.85 0.25 1 891 . 102 LEU HD2 H 0.77 0.03 2 892 . 102 LEU C C 177.16 0.25 1 893 . 103 LEU N N 121.62 0.15 1 894 . 103 LEU H H 7.22 0.03 1 895 . 103 LEU CA C 53.03 0.25 1 896 . 103 LEU HA H 4.28 0.03 1 897 . 103 LEU CB C 40.77 0.25 1 898 . 103 LEU HB3 H 1.66 0.03 2 899 . 103 LEU HB2 H 1.89 0.03 2 900 . 103 LEU CG C 27.93 0.25 1 901 . 103 LEU HG H 1.83 0.03 1 902 . 103 LEU CD1 C 24.20 0.25 1 903 . 103 LEU HD1 H 0.89 0.03 2 904 . 103 LEU CD2 C 23.93 0.25 1 905 . 103 LEU HD2 H 0.94 0.03 2 906 . 103 LEU C C 174.12 0.25 1 907 . 104 PRO CA C 62.09 0.25 1 908 . 104 PRO HA H 4.39 0.03 1 909 . 104 PRO CB C 31.66 0.25 1 910 . 104 PRO C C 174.34 0.25 1 911 . 105 LYS N N 117.09 0.15 1 912 . 105 LYS H H 8.17 0.03 1 913 . 105 LYS CA C 54.60 0.25 1 914 . 105 LYS HA H 4.84 0.03 1 915 . 105 LYS CB C 35.20 0.25 1 916 . 105 LYS HB3 H 1.64 0.03 2 917 . 105 LYS C C 178.00 0.25 1 918 . 106 THR N N 112.19 0.15 1 919 . 106 THR H H 8.44 0.03 1 920 . 106 THR CA C 60.40 0.25 1 921 . 106 THR HA H 4.70 0.03 1 922 . 106 THR CB C 72.20 0.25 1 923 . 106 THR HB H 4.63 0.03 1 924 . 106 THR CG2 C 21.70 0.25 1 925 . 106 THR HG2 H 1.32 0.03 1 926 . 106 THR C C 177.93 0.25 1 927 . 107 SER N N 105.53 0.15 1 928 . 107 SER H H 7.86 0.03 1 929 . 107 SER CA C 60.65 0.25 1 930 . 107 SER HA H 4.17 0.03 1 931 . 107 SER CB C 62.37 0.25 1 932 . 107 SER HB3 H 3.69 0.03 2 933 . 107 SER C C 174.56 0.25 1 934 . 108 TRP N N 121.88 0.15 1 935 . 108 TRP H H 7.66 0.03 1 936 . 108 TRP CA C 56.13 0.25 1 937 . 108 TRP HA H 4.71 0.03 1 938 . 108 TRP CB C 29.03 0.25 1 939 . 108 TRP HB2 H 2.79 0.03 2 940 . 108 TRP C C 174.27 0.25 1 941 . 109 ASN N N 114.29 0.15 1 942 . 109 ASN H H 8.42 0.03 1 943 . 109 ASN CA C 54.07 0.25 1 944 . 109 ASN HA H 4.18 0.03 1 945 . 109 ASN CB C 37.04 0.25 1 946 . 109 ASN HB3 H 3.07 0.03 2 947 . 109 ASN HB2 H 2.80 0.03 2 948 . 109 ASN C C 172.94 0.25 1 949 . 110 ILE N N 119.08 0.15 1 950 . 110 ILE H H 7.07 0.03 1 951 . 110 ILE CA C 58.20 0.25 1 952 . 110 ILE HA H 4.28 0.03 1 953 . 110 ILE CB C 40.80 0.25 1 954 . 110 ILE HB H 1.84 0.03 1 955 . 110 ILE CG1 C 26.36 0.25 2 956 . 110 ILE HG13 H 1.18 0.03 1 957 . 110 ILE HG12 H 1.56 0.03 1 958 . 110 ILE CD1 C 18.01 0.25 1 959 . 110 ILE HD1 H 0.89 0.03 1 960 . 110 ILE CG2 C 13.30 0.25 1 961 . 110 ILE HG2 H 0.82 0.03 1 962 . 111 PRO CA C 61.18 0.25 1 963 . 111 PRO HA H 4.93 0.03 1 964 . 111 PRO CB C 31.57 0.25 1 965 . 111 PRO HB2 H 1.69 0.03 2 966 . 111 PRO C C 175.68 0.25 1 967 . 112 GLN N N 116.16 0.15 1 968 . 112 GLN H H 8.56 0.03 1 969 . 112 GLN CA C 53.99 0.25 1 970 . 112 GLN HA H 4.49 0.03 1 971 . 112 GLN CB C 28.30 0.25 1 972 . 113 PRO CA C 62.47 0.25 1 973 . 113 PRO HA H 4.38 0.03 1 974 . 113 PRO CB C 31.40 0.25 1 975 . 113 PRO HB3 H 1.90 0.03 2 976 . 113 PRO HB2 H 1.74 0.03 2 977 . 113 PRO CG C 25.35 0.25 1 978 . 113 PRO C C 175.63 0.25 1 979 . 114 GLY N N 108.10 0.15 1 980 . 114 GLY H H 8.69 0.03 1 981 . 114 GLY CA C 44.55 0.25 1 982 . 114 GLY HA3 H 4.25 0.03 2 983 . 114 GLY HA2 H 4.00 0.03 2 984 . 114 GLY C C 174.52 0.25 1 985 . 115 GLU N N 122.08 0.15 1 986 . 115 GLU H H 8.71 0.03 1 987 . 115 GLU CA C 58.56 0.25 1 988 . 115 GLU HA H 3.75 0.03 1 989 . 115 GLU CB C 29.54 0.25 1 990 . 115 GLU HB2 H 1.88 0.03 2 991 . 115 GLU CG C 35.90 0.25 1 992 . 115 GLU HG2 H 2.14 0.03 2 993 . 115 GLU C C 176.62 0.25 1 994 . 116 GLY N N 108.06 0.15 1 995 . 116 GLY H H 8.61 0.03 1 996 . 116 GLY CA C 44.58 0.25 1 997 . 116 GLY HA3 H 4.30 0.03 2 998 . 116 GLY HA2 H 4.00 0.03 2 999 . 116 GLY C C 174.52 0.25 1 1000 . 117 ASP N N 121.38 0.15 1 1001 . 117 ASP H H 7.27 0.03 1 1002 . 117 ASP CA C 52.37 0.25 1 1003 . 117 ASP HA H 4.45 0.03 1 1004 . 117 ASP CB C 40.97 0.25 1 1005 . 117 ASP HB3 H 1.67 0.03 2 1006 . 117 ASP HB2 H 1.78 0.03 2 1007 . 117 ASP C C 175.56 0.25 1 1008 . 118 VAL N N 125.82 0.15 1 1009 . 118 VAL H H 8.34 0.03 1 1010 . 118 VAL CA C 63.07 0.25 1 1011 . 118 VAL HA H 3.85 0.03 1 1012 . 118 VAL CB C 30.95 0.25 1 1013 . 118 VAL HB H 2.12 0.03 1 1014 . 118 VAL CG2 C 20.66 0.25 1 1015 . 118 VAL HG2 H 0.83 0.03 2 1016 . 118 VAL CG1 C 20.80 0.25 1 1017 . 118 VAL HG1 H 0.88 0.03 2 1018 . 118 VAL C C 174.27 0.25 1 1019 . 119 ARG N N 126.20 0.15 1 1020 . 119 ARG H H 8.02 0.03 1 1021 . 119 ARG CA C 53.50 0.25 1 1022 . 119 ARG HA H 4.53 0.03 1 1023 . 119 ARG CB C 34.37 0.25 1 1024 . 119 ARG HB2 H 1.89 0.03 2 1025 . 119 ARG CG C 27.24 0.25 1 1026 . 119 ARG HG3 H 1.52 0.03 2 1027 . 119 ARG HG2 H 1.62 0.03 2 1028 . 119 ARG CD C 43.21 0.25 1 1029 . 119 ARG HD2 H 3.08 0.03 2 1030 . 119 ARG C C 175.00 0.25 1 1031 . 120 GLU N N 123.21 0.15 1 1032 . 120 GLU H H 8.80 0.03 1 1033 . 120 GLU CA C 56.80 0.25 1 1034 . 120 GLU HA H 4.02 0.03 1 1035 . 120 GLU CB C 30.59 0.25 1 1036 . 120 GLU HB2 H 1.98 0.03 2 1037 . 120 GLU CG C 36.29 0.25 1 1038 . 120 GLU HG2 H 2.19 0.03 2 1039 . 120 GLU C C 173.73 0.25 1 1040 . 121 GLU N N 129.17 0.15 1 1041 . 121 GLU H H 8.58 0.03 1 1042 . 121 GLU CA C 54.54 0.25 1 1043 . 121 GLU HA H 4.54 0.03 1 1044 . 121 GLU CB C 31.35 0.25 1 1045 . 121 GLU HB3 H 1.81 0.03 2 1046 . 121 GLU HB2 H 2.01 0.03 2 1047 . 121 GLU CG C 36.38 0.25 1 1048 . 121 GLU HG3 H 2.20 0.03 2 1049 . 121 GLU HG2 H 2.06 0.03 2 1050 . 121 GLU C C 178.55 0.25 1 1051 . 122 ALA N N 126.87 0.15 1 1052 . 122 ALA H H 8.29 0.03 1 1053 . 122 ALA CA C 56.00 0.25 1 1054 . 122 ALA HA H 2.96 0.03 1 1055 . 122 ALA CB C 18.00 0.25 1 1056 . 122 ALA HB H 0.18 0.03 1 1057 . 122 ALA C C 179.36 0.25 1 1058 . 123 LEU N N 116.40 0.15 1 1059 . 123 LEU H H 9.36 0.03 1 1060 . 123 LEU CA C 57.03 0.25 1 1061 . 123 LEU HA H 4.10 0.03 1 1062 . 123 LEU CB C 39.38 0.25 1 1063 . 123 LEU HB3 H 2.06 0.03 2 1064 . 123 LEU HB2 H 1.72 0.03 2 1065 . 123 LEU CG C 25.25 0.25 1 1066 . 123 LEU HG H 1.48 0.03 1 1067 . 123 LEU CD2 C 15.90 0.25 1 1068 . 123 LEU HD2 H 0.79 0.03 2 1069 . 123 LEU C C 178.65 0.25 1 1070 . 124 SER N N 113.51 0.15 1 1071 . 124 SER H H 7.99 0.03 1 1072 . 124 SER CA C 59.70 0.25 1 1073 . 124 SER HA H 4.43 0.03 1 1074 . 124 SER CB C 63.90 0.25 1 1075 . 124 SER HB3 H 3.93 0.03 2 1076 . 124 SER HB2 H 4.07 0.03 2 1077 . 124 SER C C 175.18 0.25 1 1078 . 125 THR N N 108.41 0.15 1 1079 . 125 THR H H 7.19 0.03 1 1080 . 125 THR CA C 60.14 0.25 1 1081 . 125 THR HA H 4.58 0.03 1 1082 . 125 THR CB C 68.70 0.25 1 1083 . 125 THR HB H 4.71 0.03 1 1084 . 125 THR CG2 C 21.79 0.25 1 1085 . 125 THR HG2 H 1.11 0.03 1 1086 . 125 THR C C 174.00 0.25 1 1087 . 126 GLY N N 107.36 0.15 1 1088 . 126 GLY H H 7.61 0.03 1 1089 . 126 GLY CA C 44.84 0.25 1 1090 . 126 GLY HA2 H 4.36 0.03 2 1091 . 126 GLY C C 174.25 0.25 1 1092 . 127 GLY N N 108.87 0.15 1 1093 . 127 GLY H H 8.34 0.03 1 1094 . 127 GLY CA C 44.16 0.25 1 1095 . 127 GLY HA3 H 4.34 0.03 2 1096 . 127 GLY C C 172.95 0.25 1 1097 . 128 LEU N N 120.97 0.15 1 1098 . 128 LEU H H 9.23 0.03 1 1099 . 128 LEU CA C 53.16 0.25 1 1100 . 128 LEU HA H 4.26 0.03 1 1101 . 128 LEU CB C 46.30 0.25 1 1102 . 128 LEU HB3 H 1.04 0.03 2 1103 . 128 LEU HB2 H 1.26 0.03 2 1104 . 128 LEU CG C 26.26 0.25 1 1105 . 128 LEU HG H 0.77 0.03 1 1106 . 128 LEU CD1 C 24.64 0.25 1 1107 . 128 LEU CD2 C 21.99 0.25 1 1108 . 128 LEU C C 174.60 0.25 1 1109 . 129 ASP N N 119.18 0.15 1 1110 . 129 ASP H H 8.77 0.03 1 1111 . 129 ASP CA C 55.67 0.25 1 1112 . 129 ASP HA H 4.72 0.03 1 1113 . 129 ASP CB C 42.85 0.25 1 1114 . 129 ASP HB3 H 3.03 0.03 2 1115 . 129 ASP HB2 H 2.74 0.03 2 1116 . 129 ASP C C 175.86 0.25 1 1117 . 130 LEU N N 121.74 0.15 1 1118 . 130 LEU H H 7.32 0.03 1 1119 . 130 LEU CA C 54.30 0.25 1 1120 . 130 LEU HA H 5.19 0.03 1 1121 . 130 LEU CB C 45.03 0.25 1 1122 . 130 LEU HB3 H 1.39 0.03 2 1123 . 130 LEU HB2 H 1.64 0.03 2 1124 . 130 LEU C C 173.56 0.25 1 1125 . 131 ILE N N 125.19 0.15 1 1126 . 131 ILE H H 9.11 0.03 1 1127 . 131 ILE CA C 60.10 0.25 1 1128 . 131 ILE HA H 4.70 0.03 1 1129 . 131 ILE CB C 41.80 0.25 1 1130 . 131 ILE HB H 1.63 0.03 1 1131 . 131 ILE CG1 C 26.95 0.25 2 1132 . 131 ILE HG12 H 0.99 0.03 1 1133 . 131 ILE CD1 C 11.55 0.25 1 1134 . 131 ILE CG2 C 16.90 0.25 1 1135 . 131 ILE HG2 H 0.91 0.03 1 1136 . 131 ILE C C 174.47 0.25 1 1137 . 132 PHE N N 126.53 0.15 1 1138 . 132 PHE H H 9.04 0.03 1 1139 . 132 PHE CA C 57.08 0.25 1 1140 . 132 PHE HA H 5.35 0.03 1 1141 . 132 PHE CB C 39.83 0.25 1 1142 . 132 PHE HB3 H 2.96 0.03 2 1143 . 132 PHE HB2 H 3.44 0.03 2 1144 . 132 PHE C C 175.00 0.25 1 1145 . 133 MET N N 125.61 0.15 1 1146 . 133 MET H H 8.81 0.03 1 1147 . 133 MET CA C 50.60 0.25 1 1148 . 133 MET HA H 4.64 0.03 1 1149 . 133 MET CB C 33.30 0.25 1 1150 . 133 MET HB3 H 2.04 0.03 2 1151 . 133 MET HB2 H 1.53 0.03 2 1152 . 133 MET CG C 31.28 0.25 1 1153 . 133 MET HG2 H 2.21 0.03 2 1154 . 133 MET CE C 21.60 0.25 1 1155 . 133 MET HE H 0.90 0.03 1 1156 . 133 MET C C 171.31 0.25 1 1157 . 134 PRO CA C 57.88 0.25 1 1158 . 134 PRO HA H 4.04 0.03 1 1159 . 134 PRO CB C 30.45 0.25 1 1160 . 134 PRO HB3 H 2.01 0.03 2 1161 . 134 PRO HB2 H 1.78 0.03 2 1162 . 134 PRO CG C 27.10 0.25 1 1163 . 134 PRO C C 176.43 0.25 1 1164 . 135 GLY N N 107.28 0.15 1 1165 . 135 GLY H H 8.36 0.03 1 1166 . 135 GLY CA C 45.50 0.25 1 1167 . 135 GLY HA2 H 3.63 0.03 2 1168 . 135 GLY C C 181.75 0.25 1 1169 . 136 LEU N N 118.61 0.15 1 1170 . 136 LEU H H 8.10 0.03 1 1171 . 136 LEU CA C 55.67 0.25 1 1172 . 136 LEU HA H 4.24 0.03 1 1173 . 136 LEU CB C 43.70 0.25 1 1174 . 136 LEU HB3 H 1.02 0.03 2 1175 . 136 LEU HB2 H 1.18 0.03 2 1176 . 136 LEU CG C 27.38 0.25 1 1177 . 136 LEU C C 176.18 0.25 1 1178 . 137 GLY N N 105.30 0.15 1 1179 . 137 GLY H H 7.11 0.03 1 1180 . 137 GLY CA C 44.55 0.25 1 1181 . 137 GLY HA2 H 4.73 0.03 2 1182 . 137 GLY C C 181.77 0.25 1 1183 . 138 PHE N N 116.49 0.15 1 1184 . 138 PHE H H 8.32 0.03 1 1185 . 138 PHE CA C 55.76 0.25 1 1186 . 138 PHE HA H 5.42 0.03 1 1187 . 138 PHE CB C 45.34 0.25 1 1188 . 138 PHE HB3 H 2.25 0.03 2 1189 . 138 PHE HB2 H 3.28 0.03 2 1190 . 138 PHE C C 174.16 0.25 1 1191 . 139 ASP N N 118.60 0.15 1 1192 . 139 ASP H H 7.97 0.03 1 1193 . 139 ASP CA C 51.80 0.25 1 1194 . 139 ASP HA H 5.22 0.03 1 1195 . 139 ASP CB C 44.01 0.25 1 1196 . 139 ASP HB3 H 2.23 0.03 2 1197 . 139 ASP C C 176.91 0.25 1 1198 . 140 LYS N N 114.40 0.15 1 1199 . 140 LYS H H 8.32 0.03 1 1200 . 140 LYS CA C 57.80 0.25 1 1201 . 140 LYS HA H 4.23 0.03 1 1202 . 140 LYS CB C 31.07 0.25 1 1203 . 140 LYS HB3 H 1.85 0.03 2 1204 . 140 LYS HB2 H 1.74 0.03 2 1205 . 140 LYS CG C 25.34 0.25 1 1206 . 140 LYS HG3 H 1.75 0.03 2 1207 . 140 LYS HG2 H 1.58 0.03 2 1208 . 140 LYS CD C 29.39 0.25 1 1209 . 140 LYS C C 176.63 0.25 1 1210 . 141 HIS N N 118.02 0.15 1 1211 . 141 HIS H H 8.18 0.03 1 1212 . 141 HIS CA C 54.98 0.25 1 1213 . 141 HIS HA H 4.60 0.03 1 1214 . 141 HIS CB C 29.28 0.25 1 1215 . 141 HIS HB3 H 3.22 0.03 2 1216 . 141 HIS HB2 H 3.04 0.03 2 1217 . 141 HIS C C 174.57 0.25 1 1218 . 142 GLY N N 106.24 0.15 1 1219 . 142 GLY H H 7.95 0.03 1 1220 . 142 GLY CA C 44.92 0.25 1 1221 . 142 GLY HA3 H 4.35 0.03 2 1222 . 142 GLY C C 173.85 0.25 1 1223 . 143 ASN N N 119.62 0.15 1 1224 . 143 ASN H H 8.43 0.03 1 1225 . 143 ASN CA C 54.35 0.25 1 1226 . 143 ASN HA H 4.58 0.03 1 1227 . 143 ASN CB C 38.23 0.25 1 1228 . 143 ASN HB2 H 2.10 0.03 2 1229 . 143 ASN C C 173.57 0.25 1 1230 . 144 ARG N N 121.56 0.15 1 1231 . 144 ARG H H 8.58 0.03 1 1232 . 144 ARG CA C 53.93 0.25 1 1233 . 144 ARG HA H 4.46 0.03 1 1234 . 144 ARG CB C 34.50 0.25 1 1235 . 144 ARG HB3 H 1.34 0.03 2 1236 . 144 ARG HB2 H 1.44 0.03 2 1237 . 144 ARG C C 173.10 0.25 1 1238 . 145 LEU N N 128.64 0.15 1 1239 . 145 LEU H H 8.50 0.03 1 1240 . 145 LEU CA C 52.79 0.25 1 1241 . 145 LEU HA H 4.38 0.03 1 1242 . 145 LEU CB C 43.27 0.25 1 1243 . 145 LEU HB3 H 1.30 0.03 2 1244 . 145 LEU HB2 H 1.35 0.03 2 1245 . 145 LEU CG C 29.03 0.25 1 1246 . 145 LEU HG H 0.94 0.03 1 1247 . 145 LEU CD1 C 26.91 0.25 1 1248 . 145 LEU HD1 H 0.70 0.03 2 1249 . 145 LEU CD2 C 25.64 0.25 1 1250 . 145 LEU HD2 H 0.54 0.03 2 1251 . 145 LEU C C 175.20 0.25 1 1252 . 146 GLY N N 114.97 0.15 1 1253 . 146 GLY H H 9.09 0.03 1 1254 . 146 GLY CA C 43.69 0.25 1 1255 . 146 GLY HA2 H 3.98 0.03 2 1256 . 146 GLY C C 172.71 0.25 1 1257 . 147 ARG N N 118.49 0.15 1 1258 . 147 ARG H H 8.80 0.03 1 1259 . 147 ARG CA C 61.34 0.25 1 1260 . 147 ARG HA H 4.39 0.03 1 1261 . 147 ARG CB C 30.13 0.25 1 1262 . 147 ARG C C 175.90 0.25 1 1263 . 148 GLY N N 108.33 0.15 1 1264 . 148 GLY H H 8.36 0.03 1 1265 . 148 GLY CA C 45.37 0.25 1 1266 . 148 GLY HA3 H 3.49 0.03 2 1267 . 148 GLY HA2 H 3.83 0.03 2 1268 . 148 GLY C C 172.97 0.25 1 1269 . 149 LYS N N 118.38 0.15 1 1270 . 149 LYS H H 8.03 0.03 1 1271 . 149 LYS CA C 56.32 0.25 1 1272 . 149 LYS HA H 4.17 0.03 1 1273 . 149 LYS CB C 32.60 0.25 1 1274 . 149 LYS HB3 H 1.29 0.03 2 1275 . 149 LYS HB2 H 1.65 0.03 2 1276 . 149 LYS CG C 25.18 0.25 1 1277 . 149 LYS HG3 H 1.62 0.03 2 1278 . 149 LYS HG2 H 1.37 0.03 2 1279 . 149 LYS C C 176.86 0.25 1 1280 . 150 GLY N N 109.50 0.15 1 1281 . 150 GLY H H 8.48 0.03 1 1282 . 150 GLY CA C 46.69 0.25 1 1283 . 150 GLY HA3 H 3.77 0.03 2 1284 . 150 GLY HA2 H 4.25 0.03 2 1285 . 150 GLY C C 175.62 0.25 1 1286 . 151 TYR N N 118.84 0.15 1 1287 . 151 TYR H H 7.45 0.03 1 1288 . 152 TYR CA C 63.60 0.25 1 1289 . 152 TYR HA H 3.81 0.03 1 1290 . 152 TYR CB C 37.74 0.25 1 1291 . 152 TYR HB2 H 2.58 0.03 2 1292 . 152 TYR C C 177.03 0.25 1 1293 . 153 ASP N N 120.94 0.15 1 1294 . 153 ASP H H 8.20 0.03 1 1295 . 153 ASP CA C 57.43 0.25 1 1296 . 153 ASP HA H 4.23 0.03 1 1297 . 153 ASP CB C 40.56 0.25 1 1298 . 153 ASP HB2 H 2.71 0.03 2 1299 . 153 ASP C C 177.56 0.25 1 1300 . 154 ALA N N 119.20 0.15 1 1301 . 154 ALA H H 7.87 0.03 1 1302 . 154 ALA CA C 54.60 0.25 1 1303 . 154 ALA HA H 3.98 0.03 1 1304 . 154 ALA CB C 17.59 0.25 1 1305 . 154 ALA HB H 1.44 0.03 1 1306 . 154 ALA C C 179.96 0.25 1 1307 . 155 TYR N N 120.82 0.15 1 1308 . 155 TYR H H 7.97 0.03 1 1309 . 155 TYR CA C 62.74 0.25 1 1310 . 155 TYR HA H 3.76 0.03 1 1311 . 155 TYR CB C 39.79 0.25 1 1312 . 155 TYR HB2 H 2.51 0.03 2 1313 . 155 TYR C C 177.26 0.25 1 1314 . 156 LEU N N 121.18 0.15 1 1315 . 156 LEU H H 8.77 0.03 1 1316 . 156 LEU CA C 57.37 0.25 1 1317 . 156 LEU HA H 3.81 0.03 1 1318 . 156 LEU CB C 40.68 0.25 1 1319 . 156 LEU HB3 H 1.81 0.03 2 1320 . 156 LEU HB2 H 1.57 0.03 2 1321 . 156 LEU CG C 27.96 0.25 1 1322 . 156 LEU C C 178.60 0.25 1 1323 . 157 LYS N N 117.10 0.15 1 1324 . 157 LYS H H 7.44 0.03 1 1325 . 157 LYS CA C 60.10 0.25 1 1326 . 157 LYS HA H 3.81 0.03 1 1327 . 157 LYS CB C 32.00 0.25 1 1328 . 157 LYS HB2 H 1.74 0.03 2 1329 . 157 LYS CG C 25.53 0.25 1 1330 . 157 LYS HG2 H 1.37 0.03 2 1331 . 157 LYS C C 178.65 0.25 1 1332 . 158 ARG N N 119.88 0.15 1 1333 . 158 ARG H H 7.36 0.03 1 1334 . 158 ARG CA C 59.35 0.25 1 1335 . 158 ARG HA H 3.99 0.03 1 1336 . 158 ARG CB C 30.15 0.25 1 1337 . 158 ARG HB2 H 1.63 0.03 2 1338 . 158 ARG C C 178.78 0.25 1 1339 . 159 CYS N N 120.07 0.15 1 1340 . 159 CYS H H 8.50 0.03 1 1341 . 159 CYS CA C 63.10 0.25 1 1342 . 159 CYS HA H 3.85 0.03 1 1343 . 159 CYS CB C 26.25 0.25 1 1344 . 159 CYS HB3 H 2.50 0.03 2 1345 . 159 CYS HB2 H 2.94 0.03 2 1346 . 159 CYS C C 176.43 0.25 1 1347 . 160 LEU N N 117.89 0.15 1 1348 . 160 LEU H H 7.97 0.03 1 1349 . 160 LEU CA C 57.00 0.25 1 1350 . 160 LEU HA H 4.05 0.03 1 1351 . 160 LEU CB C 41.08 0.25 1 1352 . 160 LEU HB3 H 1.40 0.03 2 1353 . 160 LEU HB2 H 1.55 0.03 2 1354 . 160 LEU CG C 26.90 0.25 1 1355 . 160 LEU HG H 1.77 0.03 1 1356 . 160 LEU CD1 C 24.27 0.25 1 1357 . 160 LEU HD1 H 0.88 0.03 2 1358 . 160 LEU CD2 C 22.87 0.25 1 1359 . 160 LEU HD2 H 0.81 0.03 2 1360 . 160 LEU C C 177.84 0.25 1 1361 . 161 GLN N N 114.87 0.15 1 1362 . 161 GLN H H 7.33 0.03 1 1363 . 161 GLN CA C 56.60 0.25 1 1364 . 161 GLN HA H 4.04 0.03 1 1365 . 161 GLN CB C 28.90 0.25 1 1366 . 161 GLN HB2 H 1.90 0.03 2 1367 . 161 GLN CG C 33.74 0.25 1 1368 . 161 GLN HG3 H 2.33 0.03 2 1369 . 161 GLN HG2 H 2.17 0.03 2 1370 . 161 GLN C C 176.20 0.25 1 1371 . 162 HIS N N 115.35 0.15 1 1372 . 162 HIS H H 7.73 0.03 1 1373 . 162 HIS CA C 56.69 0.25 1 1374 . 162 HIS HA H 4.52 0.03 1 1375 . 162 HIS CB C 31.45 0.25 1 1376 . 162 HIS HB2 H 3.29 0.03 2 1377 . 162 HIS C C 173.22 0.25 1 1378 . 163 GLN N N 117.02 0.15 1 1379 . 163 GLN H H 7.81 0.03 1 1380 . 163 GLN CA C 54.80 0.25 1 1381 . 163 GLN HA H 4.55 0.03 1 1382 . 163 GLN CB C 31.45 0.25 1 1383 . 163 GLN HB3 H 2.16 0.03 2 1384 . 163 GLN HB2 H 1.85 0.03 2 1385 . 163 GLN CG C 33.34 0.25 1 1386 . 163 GLN HG2 H 2.20 0.03 2 1387 . 163 GLN C C 174.40 0.25 1 1388 . 164 GLU N N 120.69 0.15 1 1389 . 164 GLU H H 8.48 0.03 1 1390 . 164 GLU CA C 58.55 0.25 1 1391 . 164 GLU HA H 4.52 0.03 1 1392 . 164 GLU CB C 30.15 0.25 1 1393 . 164 GLU HB3 H 2.22 0.03 2 1394 . 164 GLU HB2 H 1.96 0.03 2 1395 . 164 GLU CG C 36.22 0.25 1 1396 . 164 GLU HG3 H 2.24 0.03 2 1397 . 164 GLU HG2 H 2.19 0.03 2 1398 . 164 GLU C C 176.13 0.25 1 1399 . 165 VAL N N 118.01 0.15 1 1400 . 165 VAL H H 7.86 0.03 1 1401 . 165 VAL CA C 60.40 0.25 1 1402 . 165 VAL HA H 4.10 0.03 1 1403 . 165 VAL CB C 33.30 0.25 1 1404 . 165 VAL HB H 1.90 0.03 1 1405 . 165 VAL CG2 C 20.67 0.25 1 1406 . 165 VAL HG2 H 0.85 0.03 2 1407 . 165 VAL CG1 C 20.89 0.25 1 1408 . 165 VAL HG1 H 0.92 0.03 2 1409 . 165 VAL C C 174.54 0.25 1 1410 . 166 LYS N N 127.14 0.15 1 1411 . 166 LYS H H 8.53 0.03 1 1412 . 166 LYS CA C 54.57 0.25 1 1413 . 166 LYS HA H 4.11 0.03 1 1414 . 166 LYS CB C 31.40 0.25 1 1415 . 166 LYS HB2 H 1.73 0.03 2 1416 . 166 LYS CG C 23.20 0.25 1 1417 . 166 LYS HG3 H 1.33 0.03 2 1418 . 166 LYS HG2 H 1.52 0.03 2 1419 . 166 LYS CD C 29.25 0.25 1 1420 . 166 LYS HD2 H 1.64 0.03 2 1421 . 166 LYS CE C 41.68 0.25 1 1422 . 166 LYS HE3 H 2.75 0.03 2 1423 . 166 LYS HE2 H 2.96 0.03 2 1424 . 167 PRO N N 172.91 0.15 1 1425 . 167 PRO CA C 62.30 0.25 1 1426 . 167 PRO HA H 4.33 0.03 1 1427 . 167 PRO CB C 31.00 0.25 1 1428 . 167 PRO HB2 H 2.05 0.03 2 1429 . 167 PRO CG C 27.20 0.25 1 1430 . 167 PRO HG3 H 1.98 0.03 2 1431 . 167 PRO HG2 H 1.80 0.03 2 1432 . 167 PRO CD C 49.73 0.25 1 1433 . 167 PRO HD3 H 3.39 0.03 2 1434 . 167 PRO HD2 H 3.56 0.03 2 1435 . 167 PRO C C 175.10 0.25 1 1436 . 168 TYR N N 126.20 0.15 1 1437 . 168 TYR H H 8.01 0.03 1 1438 . 168 TYR CA C 58.73 0.25 1 1439 . 168 TYR HA H 4.52 0.03 1 1440 . 168 TYR CB C 38.87 0.25 1 1441 . 168 TYR HB3 H 3.01 0.03 2 1442 . 168 TYR HB2 H 2.71 0.03 2 1443 . 168 TYR C C 175.23 0.25 1 1444 . 169 THR N N 119.31 0.15 1 1445 . 169 THR H H 8.87 0.03 1 1446 . 169 THR CA C 58.56 0.25 1 1447 . 169 THR HA H 5.04 0.03 1 1448 . 169 THR CB C 70.98 0.25 1 1449 . 169 THR HB H 3.83 0.03 1 1450 . 169 THR CG2 C 23.17 0.25 1 1451 . 169 THR HG2 H 1.08 0.03 1 1452 . 169 THR C C 171.27 0.25 1 1453 . 170 LEU N N 125.19 0.15 1 1454 . 170 LEU H H 7.83 0.03 1 1455 . 170 LEU CA C 52.09 0.25 1 1456 . 170 LEU HA H 4.90 0.03 1 1457 . 170 LEU CB C 46.76 0.25 1 1458 . 170 LEU HB3 H 0.80 0.03 2 1459 . 170 LEU HB2 H 1.07 0.03 2 1460 . 170 LEU CG C 26.85 0.25 1 1461 . 170 LEU HG H 0.69 0.03 1 1462 . 170 LEU CD1 C 25.64 0.25 1 1463 . 170 LEU HD1 H 0.45 0.03 2 1464 . 170 LEU CD2 C 24.70 0.25 1 1465 . 170 LEU HD2 H 0.34 0.03 2 1466 . 170 LEU C C 174.50 0.25 1 1467 . 171 ALA N N 126.39 0.15 1 1468 . 171 ALA H H 8.70 0.03 1 1469 . 171 ALA CA C 49.83 0.25 1 1470 . 171 ALA HA H 4.86 0.03 1 1471 . 171 ALA CB C 23.15 0.25 1 1472 . 171 ALA HB H 0.78 0.03 1 1473 . 171 ALA C C 174.30 0.25 1 1474 . 172 LEU N N 121.15 0.15 1 1475 . 172 LEU H H 8.63 0.03 1 1476 . 172 LEU CA C 53.60 0.25 1 1477 . 172 LEU HA H 4.29 0.03 1 1478 . 172 LEU CB C 42.38 0.25 1 1479 . 172 LEU HB2 H 1.55 0.03 2 1480 . 172 LEU CG C 26.60 0.25 1 1481 . 172 LEU HG H 1.58 0.03 1 1482 . 172 LEU C C 172.88 0.25 1 1483 . 173 ALA N N 125.76 0.15 1 1484 . 173 ALA H H 8.34 0.03 1 1485 . 173 ALA CA C 49.64 0.25 1 1486 . 173 ALA HA H 4.56 0.03 1 1487 . 173 ALA CB C 22.63 0.25 1 1488 . 173 ALA HB H 0.92 0.03 1 1489 . 173 ALA C C 176.70 0.25 1 1490 . 174 PHE N N 118.81 0.15 1 1491 . 174 PHE H H 8.95 0.03 1 1492 . 174 PHE CA C 57.43 0.25 1 1493 . 174 PHE HA H 4.82 0.03 1 1494 . 174 PHE CB C 39.20 0.25 1 1495 . 174 PHE HB3 H 2.60 0.03 2 1496 . 174 PHE HB2 H 3.95 0.03 2 1497 . 174 PHE C C 178.10 0.25 1 1498 . 175 LYS N N 126.03 0.15 1 1499 . 175 LYS H H 9.62 0.03 1 1500 . 175 LYS CA C 60.20 0.25 1 1501 . 175 LYS CB C 31.00 0.25 1 1502 . 175 LYS C C 179.06 0.25 1 1503 . 176 GLU N N 119.90 0.15 1 1504 . 176 GLU H H 10.65 0.03 1 1505 . 176 GLU CA C 59.70 0.25 1 1506 . 176 GLU HA H 4.08 0.03 1 1507 . 176 GLU CB C 29.71 0.25 1 1508 . 176 GLU HB2 H 1.81 0.03 2 1509 . 176 GLU CG C 35.99 0.25 1 1510 . 176 GLU HG2 H 2.14 0.03 2 1511 . 176 GLU C C 176.07 0.25 1 1512 . 177 GLN N N 113.98 0.15 1 1513 . 177 GLN H H 7.93 0.03 1 1514 . 177 GLN CA C 55.42 0.25 1 1515 . 177 GLN HA H 4.37 0.03 1 1516 . 177 GLN CB C 30.94 0.25 1 1517 . 177 GLN HB2 H 1.99 0.03 2 1518 . 177 GLN CG C 36.37 0.25 1 1519 . 177 GLN HG2 H 2.06 0.03 2 1520 . 177 GLN C C 173.24 0.25 1 1521 . 178 ILE N N 120.01 0.15 1 1522 . 178 ILE H H 7.13 0.03 1 1523 . 178 ILE CA C 57.78 0.25 1 1524 . 178 ILE HA H 4.44 0.03 1 1525 . 178 ILE CB C 33.65 0.25 1 1526 . 178 ILE HB H 1.70 0.03 1 1527 . 178 ILE CG1 C 24.27 0.25 2 1528 . 178 ILE HG13 H 1.60 0.03 1 1529 . 178 ILE HG12 H 1.26 0.03 1 1530 . 178 ILE CD1 C 9.18 0.25 1 1531 . 178 ILE HD1 H 0.10 0.03 1 1532 . 178 ILE CG2 C 16.44 0.25 1 1533 . 178 ILE HG2 H 0.30 0.03 1 1534 . 178 ILE C C 176.09 0.25 1 1535 . 179 CYS N N 127.50 0.15 1 1536 . 179 CYS H H 8.99 0.03 1 1537 . 179 CYS CA C 56.10 0.25 1 1538 . 179 CYS HA H 4.63 0.03 1 1539 . 179 CYS CB C 30.40 0.25 1 1540 . 179 CYS HB3 H 2.51 0.03 2 1541 . 179 CYS HB2 H 2.85 0.03 2 1542 . 179 CYS C C 173.52 0.25 1 1543 . 180 LEU N N 123.40 0.15 1 1544 . 180 LEU H H 8.61 0.03 1 1545 . 180 LEU CA C 57.86 0.25 1 1546 . 180 LEU HA H 3.97 0.03 1 1547 . 180 LEU CB C 41.60 0.25 1 1548 . 180 LEU HB2 H 1.56 0.03 2 1549 . 180 LEU CG C 26.89 0.25 1 1550 . 180 LEU HG H 1.58 0.03 1 1551 . 180 LEU CD1 C 25.08 0.25 1 1552 . 180 LEU HD1 H 0.53 0.03 2 1553 . 180 LEU CD2 C 23.90 0.25 1 1554 . 180 LEU HD2 H 0.97 0.03 2 1555 . 180 LEU C C 177.27 0.25 1 1556 . 181 GLN N N 113.55 0.15 1 1557 . 181 GLN H H 7.53 0.03 1 1558 . 181 GLN CA C 54.80 0.25 1 1559 . 181 GLN HA H 4.57 0.03 1 1560 . 181 GLN CB C 31.20 0.25 1 1561 . 181 GLN HB3 H 2.20 0.03 2 1562 . 181 GLN HB2 H 1.88 0.03 2 1563 . 181 GLN CG C 33.23 0.25 1 1564 . 181 GLN HG3 H 2.04 0.03 2 1565 . 181 GLN HG2 H 2.21 0.03 2 1566 . 181 GLN C C 174.10 0.25 1 1567 . 182 VAL N N 126.78 0.15 1 1568 . 182 VAL H H 9.30 0.03 1 1569 . 182 VAL CA C 59.10 0.25 1 1570 . 182 VAL HA H 4.13 0.03 1 1571 . 182 VAL CB C 32.70 0.25 1 1572 . 182 VAL HB H 1.63 0.03 1 1573 . 182 VAL CG2 C 21.10 0.25 1 1574 . 182 VAL HG2 H 0.43 0.03 2 1575 . 182 VAL C C 172.30 0.25 1 1576 . 183 PRO CA C 62.39 0.25 1 1577 . 183 PRO HA H 4.32 0.03 1 1578 . 183 PRO CB C 30.72 0.25 1 1579 . 183 PRO HB2 H 1.80 0.03 2 1580 . 183 PRO CG C 27.18 0.25 1 1581 . 183 PRO HG2 H 1.81 0.03 2 1582 . 183 PRO CD C 50.80 0.25 1 1583 . 183 PRO HD3 H 3.54 0.03 2 1584 . 183 PRO HD2 H 3.64 0.03 2 1585 . 183 PRO C C 175.22 0.25 1 1586 . 184 VAL N N 118.84 0.15 1 1587 . 184 VAL H H 7.91 0.03 1 1588 . 184 VAL CA C 61.02 0.25 1 1589 . 184 VAL HA H 4.16 0.03 1 1590 . 184 VAL CB C 33.85 0.25 1 1591 . 184 VAL HB H 2.11 0.03 1 1592 . 184 VAL CG2 C 21.66 0.25 1 1593 . 184 VAL HG2 H 0.78 0.03 2 1594 . 184 VAL CG1 C 18.62 0.25 1 1595 . 184 VAL HG1 H 0.72 0.03 2 1596 . 184 VAL C C 175.61 0.25 1 1597 . 185 ASN N N 121.53 0.15 1 1598 . 185 ASN H H 8.88 0.03 1 1599 . 185 ASN CA C 52.08 0.25 1 1600 . 185 ASN HA H 4.71 0.03 1 1601 . 185 ASN CB C 39.88 0.25 1 1602 . 185 ASN HB3 H 2.56 0.03 2 1603 . 185 ASN HB2 H 2.74 0.03 2 1604 . 185 ASN C C 175.59 0.25 1 1605 . 186 GLU N N 120.59 0.15 1 1606 . 186 GLU H H 8.78 0.03 1 1607 . 186 GLU CA C 58.27 0.25 1 1608 . 186 GLU HA H 3.75 0.03 1 1609 . 186 GLU CB C 29.32 0.25 1 1610 . 186 GLU HB3 H 1.80 0.03 2 1611 . 186 GLU HB2 H 2.04 0.03 2 1612 . 186 GLU CG C 36.06 0.25 1 1613 . 186 GLU HG3 H 2.24 0.03 2 1614 . 186 GLU HG2 H 2.15 0.03 2 1615 . 186 GLU C C 175.83 0.25 1 1616 . 187 ASN N N 116.28 0.15 1 1617 . 187 ASN H H 8.34 0.03 1 1618 . 187 ASN CA C 53.43 0.25 1 1619 . 187 ASN HA H 4.50 0.03 1 1620 . 187 ASN CB C 38.55 0.25 1 1621 . 187 ASN HB3 H 3.08 0.03 2 1622 . 187 ASN HB2 H 2.71 0.03 2 1623 . 187 ASN C C 174.53 0.25 1 1624 . 188 ASP N N 121.44 0.15 1 1625 . 188 ASP H H 7.73 0.03 1 1626 . 188 ASP CA C 54.73 0.25 1 1627 . 188 ASP HA H 4.50 0.03 1 1628 . 188 ASP CB C 41.25 0.25 1 1629 . 188 ASP HB2 H 2.62 0.03 2 1630 . 188 ASP C C 175.48 0.25 1 1631 . 189 MET N N 120.57 0.15 1 1632 . 189 MET H H 8.59 0.03 1 1633 . 189 MET CA C 55.10 0.25 1 1634 . 189 MET HA H 4.38 0.03 1 1635 . 189 MET CB C 33.39 0.25 1 1636 . 189 MET HB3 H 2.02 0.03 2 1637 . 189 MET HB2 H 1.83 0.03 2 1638 . 189 MET CG C 31.20 0.25 1 1639 . 189 MET HG2 H 1.91 0.03 2 1640 . 189 MET CE C 20.77 0.25 1 1641 . 189 MET HE H 0.84 0.03 1 1642 . 189 MET C C 175.14 0.25 1 1643 . 190 LYS N N 125.01 0.15 1 1644 . 190 LYS H H 8.26 0.03 1 1645 . 190 LYS CA C 55.29 0.25 1 1646 . 190 LYS HA H 4.45 0.03 1 1647 . 190 LYS CB C 33.99 0.25 1 1648 . 190 LYS HB3 H 1.95 0.03 2 1649 . 190 LYS HB2 H 1.89 0.03 2 1650 . 190 LYS CG C 21.69 0.25 1 1651 . 190 LYS HG2 H 0.78 0.03 2 1652 . 190 LYS C C 176.30 0.25 1 1653 . 191 VAL N N 117.87 0.15 1 1654 . 191 VAL H H 8.75 0.03 1 1655 . 191 VAL CA C 59.44 0.25 1 1656 . 191 VAL HA H 4.33 0.03 1 1657 . 191 VAL CB C 32.29 0.25 1 1658 . 191 VAL HB H 1.84 0.03 1 1659 . 191 VAL CG2 C 20.59 0.25 1 1660 . 191 VAL HG2 H 0.70 0.03 2 1661 . 191 VAL CG1 C 23.04 0.25 1 1662 . 191 VAL HG1 H 0.78 0.03 2 1663 . 191 VAL C C 175.18 0.25 1 1664 . 192 ASP N N 123.52 0.15 1 1665 . 192 ASP H H 8.48 0.03 1 1666 . 192 ASP CA C 58.03 0.25 1 1667 . 192 ASP HA H 4.05 0.03 1 1668 . 192 ASP CB C 40.40 0.25 1 1669 . 192 ASP HB2 H 1.89 0.03 2 1670 . 192 ASP C C 176.77 0.25 1 1671 . 193 GLU N N 116.89 0.15 1 1672 . 193 GLU H H 7.40 0.03 1 1673 . 193 GLU CA C 55.50 0.25 1 1674 . 193 GLU HA H 4.17 0.03 1 1675 . 193 GLU CB C 33.20 0.25 1 1676 . 193 GLU HB2 H 1.78 0.03 2 1677 . 193 GLU CG C 35.61 0.25 1 1678 . 193 GLU HG3 H 2.27 0.03 2 1679 . 193 GLU HG2 H 1.94 0.03 2 1680 . 193 GLU C C 172.34 0.25 1 1681 . 194 VAL N N 125.46 0.15 1 1682 . 194 VAL H H 8.49 0.03 1 1683 . 194 VAL CA C 59.96 0.25 1 1684 . 194 VAL HA H 4.11 0.03 1 1685 . 194 VAL CB C 33.03 0.25 1 1686 . 194 VAL HB H 1.76 0.03 1 1687 . 194 VAL CG2 C 20.59 0.25 1 1688 . 194 VAL HG2 H 0.53 0.03 2 1689 . 194 VAL CG1 C 20.22 0.25 1 1690 . 194 VAL HG1 H 0.35 0.03 2 1691 . 194 VAL C C 173.36 0.25 1 1692 . 195 LEU N N 128.90 0.15 1 1693 . 195 LEU H H 8.85 0.03 1 1694 . 195 LEU CA C 53.49 0.25 1 1695 . 195 LEU HA H 4.57 0.03 1 1696 . 195 LEU CB C 43.70 0.25 1 1697 . 195 LEU HB3 H 1.67 0.03 2 1698 . 195 LEU HB2 H 1.25 0.03 2 1699 . 195 LEU CG C 26.72 0.25 1 1700 . 195 LEU HG H 0.77 0.03 1 1701 . 195 LEU CD1 C 24.64 0.25 1 1702 . 195 LEU HD1 H 0.41 0.03 2 1703 . 195 LEU C C 173.22 0.25 1 1704 . 196 TYR N N 115.23 0.15 1 1705 . 196 TYR H H 7.37 0.03 1 1706 . 196 TYR CA C 55.85 0.25 1 1707 . 196 TYR HA H 4.82 0.03 1 1708 . 196 TYR CB C 39.77 0.25 1 1709 . 196 TYR HB3 H 2.45 0.03 2 1710 . 196 TYR C C 173.84 0.25 1 1711 . 197 GLU N N 124.08 0.15 1 1712 . 197 GLU H H 9.92 0.03 1 1713 . 197 GLU CA C 57.50 0.25 1 1714 . 197 GLU HA H 3.78 0.03 1 1715 . 197 GLU CB C 29.56 0.25 1 1716 . 197 GLU HB3 H 2.13 0.03 2 1717 . 197 GLU HB2 H 2.00 0.03 2 1718 . 197 GLU CG C 35.77 0.25 1 1719 . 197 GLU HG2 H 2.13 0.03 2 1720 . 197 GLU C C 173.81 0.25 1 1721 . 198 ASP N N 125.12 0.15 1 1722 . 198 ASP H H 8.07 0.03 1 1723 . 198 ASP CA C 53.54 0.25 1 1724 . 198 ASP HA H 4.49 0.03 1 1725 . 198 ASP CB C 40.74 0.25 1 1726 . 198 ASP HB3 H 2.49 0.03 2 1727 . 198 ASP HB2 H 2.39 0.03 2 1728 . 198 ASP C C 175.60 0.25 1 1729 . 199 SER N N 116.34 0.15 1 1730 . 199 SER H H 8.04 0.03 1 1731 . 199 SER CA C 58.40 0.25 1 1732 . 199 SER HA H 4.23 0.03 1 1733 . 199 SER CB C 63.49 0.25 1 1734 . 199 SER HB3 H 3.73 0.03 2 1735 . 199 SER HB2 H 3.48 0.03 2 1736 . 199 SER C C 174.14 0.25 1 1737 . 200 SER N N 117.87 0.15 1 1738 . 200 SER H H 8.42 0.03 1 1739 . 200 SER CA C 58.36 0.25 1 1740 . 200 SER HA H 4.40 0.03 1 1741 . 200 SER CB C 63.65 0.25 1 1742 . 200 SER HB2 H 3.79 0.03 2 1743 . 200 SER C C 174.20 0.25 1 1744 . 201 THR N N 115.89 0.15 1 1745 . 201 THR H H 8.08 0.03 1 1746 . 201 THR CA C 61.45 0.25 1 1747 . 201 THR HA H 4.25 0.03 1 1748 . 201 THR CB C 69.58 0.25 1 1749 . 201 THR HB H 4.16 0.03 1 1750 . 201 THR CG2 C 21.37 0.25 1 1751 . 201 THR HG2 H 1.11 0.03 1 1752 . 201 THR C C 172.86 0.25 1 1753 . 202 ALA N N 132.12 0.15 1 1754 . 202 ALA H H 7.88 0.03 1 1755 . 202 ALA CA C 53.90 0.25 1 1756 . 202 ALA HA H 4.00 0.03 1 1757 . 202 ALA CB C 19.97 0.25 1 1758 . 202 ALA HB H 1.24 0.03 1 stop_ save_