data_19209 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone NMR assignments for human HDHD4 in complex with calcium and N-acetylneuraminate-9-phosphate ; _BMRB_accession_number 19209 _BMRB_flat_file_name bmr19209.str _Entry_type original _Submission_date 2013-05-01 _Accession_date 2013-05-01 _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 Constantine Keith . . 2 Kim Soong-hoon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 210 "13C chemical shifts" 654 "15N chemical shifts" 210 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 19207 'HDHD4 (apo form)' stop_ _Original_release_date 2013-05-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: observation of extensive dynamics in an enzyme/inhibitor complex' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Constantine Keith . . 2 Kim Soong-hoon . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name HDHD4 _Enzyme_commission_number 'EC 3.1.3.29' loop_ _Mol_system_component_name _Mol_label HDHD4 $HDHD4 'Calcium ions' $entity_CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HDHD4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HDHD4 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 241 _Mol_residue_sequence ; MRAVFFDLDNTLIDTAGASR RGMLEVIKLLQSKYHYKEEA EIICDKVQVKLSKECFHPYN TCITDLRTSHWEEAIQETKG GAANRKLAEECYFLWKSTRL QHMTLAEDVKAMLTELRKEV RLLLLTNGDRQTQREKIEAC ACQSYFDAVVVGGEQREEKP APSIFYYCCNLLGVQPGDCV MVGDTLETDIQGGLNAGLKA TVWINKNGIVPLKSSPVPHY MVSSVLELPALLQSIDCLVP R ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 6 MET 2 7 ARG 3 8 ALA 4 9 VAL 5 10 PHE 6 11 PHE 7 12 ASP 8 13 LEU 9 14 ASP 10 15 ASN 11 16 THR 12 17 LEU 13 18 ILE 14 19 ASP 15 20 THR 16 21 ALA 17 22 GLY 18 23 ALA 19 24 SER 20 25 ARG 21 26 ARG 22 27 GLY 23 28 MET 24 29 LEU 25 30 GLU 26 31 VAL 27 32 ILE 28 33 LYS 29 34 LEU 30 35 LEU 31 36 GLN 32 37 SER 33 38 LYS 34 39 TYR 35 40 HIS 36 41 TYR 37 42 LYS 38 43 GLU 39 44 GLU 40 45 ALA 41 46 GLU 42 47 ILE 43 48 ILE 44 49 CYS 45 50 ASP 46 51 LYS 47 52 VAL 48 53 GLN 49 54 VAL 50 55 LYS 51 56 LEU 52 57 SER 53 58 LYS 54 59 GLU 55 60 CYS 56 61 PHE 57 62 HIS 58 63 PRO 59 64 TYR 60 65 ASN 61 66 THR 62 67 CYS 63 68 ILE 64 69 THR 65 70 ASP 66 71 LEU 67 72 ARG 68 73 THR 69 74 SER 70 75 HIS 71 76 TRP 72 77 GLU 73 78 GLU 74 79 ALA 75 80 ILE 76 81 GLN 77 82 GLU 78 83 THR 79 84 LYS 80 85 GLY 81 86 GLY 82 87 ALA 83 88 ALA 84 89 ASN 85 90 ARG 86 91 LYS 87 92 LEU 88 93 ALA 89 94 GLU 90 95 GLU 91 96 CYS 92 97 TYR 93 98 PHE 94 99 LEU 95 100 TRP 96 101 LYS 97 102 SER 98 103 THR 99 104 ARG 100 105 LEU 101 106 GLN 102 107 HIS 103 108 MET 104 109 THR 105 110 LEU 106 111 ALA 107 112 GLU 108 113 ASP 109 114 VAL 110 115 LYS 111 116 ALA 112 117 MET 113 118 LEU 114 119 THR 115 120 GLU 116 121 LEU 117 122 ARG 118 123 LYS 119 124 GLU 120 125 VAL 121 126 ARG 122 127 LEU 123 128 LEU 124 129 LEU 125 130 LEU 126 131 THR 127 132 ASN 128 133 GLY 129 134 ASP 130 135 ARG 131 136 GLN 132 137 THR 133 138 GLN 134 139 ARG 135 140 GLU 136 141 LYS 137 142 ILE 138 143 GLU 139 144 ALA 140 145 CYS 141 146 ALA 142 147 CYS 143 148 GLN 144 149 SER 145 150 TYR 146 151 PHE 147 152 ASP 148 153 ALA 149 154 VAL 150 155 VAL 151 156 VAL 152 157 GLY 153 158 GLY 154 159 GLU 155 160 GLN 156 161 ARG 157 162 GLU 158 163 GLU 159 164 LYS 160 165 PRO 161 166 ALA 162 167 PRO 163 168 SER 164 169 ILE 165 170 PHE 166 171 TYR 167 172 TYR 168 173 CYS 169 174 CYS 170 175 ASN 171 176 LEU 172 177 LEU 173 178 GLY 174 179 VAL 175 180 GLN 176 181 PRO 177 182 GLY 178 183 ASP 179 184 CYS 180 185 VAL 181 186 MET 182 187 VAL 183 188 GLY 184 189 ASP 185 190 THR 186 191 LEU 187 192 GLU 188 193 THR 189 194 ASP 190 195 ILE 191 196 GLN 192 197 GLY 193 198 GLY 194 199 LEU 195 200 ASN 196 201 ALA 197 202 GLY 198 203 LEU 199 204 LYS 200 205 ALA 201 206 THR 202 207 VAL 203 208 TRP 204 209 ILE 205 210 ASN 206 211 LYS 207 212 ASN 208 213 GLY 209 214 ILE 210 215 VAL 211 216 PRO 212 217 LEU 213 218 LYS 214 219 SER 215 220 SER 216 221 PRO 217 222 VAL 218 223 PRO 219 224 HIS 220 225 TYR 221 226 MET 222 227 VAL 223 228 SER 224 229 SER 225 230 VAL 226 231 LEU 227 232 GLU 228 233 LEU 229 234 PRO 230 235 ALA 231 236 LEU 232 237 LEU 233 238 GLN 234 239 SER 235 240 ILE 236 241 ASP 237 242 CYS 238 243 LEU 239 244 VAL 240 245 PRO 241 246 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 BMRB 19207 HDHD4 100.00 241 100.00 100.00 1.71e-178 PDB 2W4M "The Crystal Structure Of Human N-Acetylneuraminic Acid Phosphatase, Nanp" 99.17 270 99.16 99.58 4.42e-175 PDB 4KNV "The Crystal Structure Of Apo Human Hdhd4 From Se-mad" 99.59 241 97.92 97.92 1.90e-172 DBJ BAG51524 "unnamed protein product [Homo sapiens]" 99.17 248 99.16 99.58 2.68e-175 GB AAH22552 "N-acetylneuraminic acid phosphatase [Homo sapiens]" 99.17 248 99.16 99.58 2.68e-175 GB ACE86671 "N-acetylneuraminic acid phosphatase protein [synthetic construct]" 99.17 248 99.16 99.58 2.68e-175 GB ACE87355 "N-acetylneuraminic acid phosphatase protein [synthetic construct]" 99.17 248 99.16 99.58 2.68e-175 GB ADQ31846 "N-acetylneuraminic acid phosphatase [synthetic construct]" 99.17 248 99.16 99.58 2.68e-175 GB AIC53137 "NANP, partial [synthetic construct]" 99.17 248 99.16 99.58 2.68e-175 REF NP_001253086 "N-acylneuraminate-9-phosphatase [Macaca mulatta]" 97.93 248 98.73 99.58 1.86e-172 REF NP_689880 "N-acylneuraminate-9-phosphatase [Homo sapiens]" 99.17 248 99.16 99.58 2.68e-175 REF XP_002747573 "PREDICTED: N-acylneuraminate-9-phosphatase [Callithrix jacchus]" 99.17 296 97.49 99.58 4.57e-172 REF XP_002830094 "PREDICTED: N-acylneuraminate-9-phosphatase [Pongo abelii]" 97.93 368 99.58 100.00 7.46e-173 REF XP_003278554 "PREDICTED: N-acylneuraminate-9-phosphatase [Nomascus leucogenys]" 97.93 248 98.73 100.00 5.01e-173 SP Q8TBE9 "RecName: Full=N-acylneuraminate-9-phosphatase; AltName: Full=Haloacid dehalogenase-like hydrolase domain-containing protein 4; " 99.17 248 99.16 99.58 2.68e-175 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _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 $HDHD4 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $HDHD4 'recombinant technology' . Escherichia coli . pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'apo HDHD4, 1.0 mM, 2H/13C/15N labeled' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HDHD4 1.0 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' d-TrisHCL 25 mM 'natural abundance' NaCl 50 mM 'natural abundance' d-DTT 5 mM 'natural abundance' d-BME 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'in-house modified' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '25 mM d-TrisHCL, 50 mM NaCl, 5 mM d-DTT, 1 mM d-BME, pH7.5' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water C 13 protons ppm 0.0 internal indirect . . . 0.251449530 water H 1 protons ppm 4.84 internal direct . . . 1 water N 15 protons ppm 0.0 internal indirect . . . 0.101329118 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name HDHD4 _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 9 4 VAL C C 173.60 0.30 1 2 9 4 VAL CA C 60.60 0.30 1 3 9 4 VAL CB C 33.25 0.30 1 4 10 5 PHE H H 9.44 0.02 1 5 10 5 PHE C C 173.90 0.30 1 6 10 5 PHE CA C 50.93 0.30 1 7 10 5 PHE CB C 38.93 0.30 1 8 10 5 PHE N N 127.30 0.15 1 9 11 6 PHE H H 9.29 0.02 1 10 11 6 PHE C C 175.70 0.30 1 11 11 6 PHE CA C 56.87 0.30 1 12 11 6 PHE CB C 43.06 0.30 1 13 11 6 PHE N N 120.50 0.15 1 14 12 7 ASP H H 8.78 0.02 1 15 12 7 ASP C C 171.60 0.30 1 16 12 7 ASP CA C 52.19 0.30 1 17 12 7 ASP CB C 40.45 0.30 1 18 12 7 ASP N N 120.90 0.15 1 19 13 8 LEU H H 8.93 0.02 1 20 13 8 LEU C C 179.50 0.30 1 21 13 8 LEU CA C 55.01 0.30 1 22 13 8 LEU CB C 44.02 0.30 1 23 13 8 LEU N N 114.40 0.15 1 24 14 9 ASP H H 9.65 0.02 1 25 14 9 ASP C C 179.30 0.30 1 26 14 9 ASP CA C 58.03 0.30 1 27 14 9 ASP CB C 39.88 0.30 1 28 14 9 ASP N N 119.40 0.15 1 29 15 10 ASN H H 8.56 0.02 1 30 15 10 ASN C C 173.70 0.30 1 31 15 10 ASN CA C 57.79 0.30 1 32 15 10 ASN CB C 36.57 0.30 1 33 15 10 ASN N N 118.60 0.15 1 34 16 11 THR H H 7.63 0.02 1 35 16 11 THR C C 175.30 0.30 1 36 16 11 THR CA C 63.15 0.30 1 37 16 11 THR CB C 67.71 0.30 1 38 16 11 THR N N 115.40 0.15 1 39 17 12 LEU H H 8.13 0.02 1 40 17 12 LEU C C 175.90 0.30 1 41 17 12 LEU CA C 55.68 0.30 1 42 17 12 LEU CB C 41.73 0.30 1 43 17 12 LEU N N 119.70 0.15 1 44 18 13 ILE H H 7.15 0.02 1 45 18 13 ILE C C 175.90 0.30 1 46 18 13 ILE CA C 58.04 0.30 1 47 18 13 ILE CB C 41.92 0.30 1 48 18 13 ILE N N 106.00 0.15 1 49 19 14 ASP H H 9.29 0.02 1 50 19 14 ASP C C 176.00 0.30 1 51 19 14 ASP CA C 51.12 0.30 1 52 19 14 ASP CB C 37.73 0.30 1 53 19 14 ASP N N 123.50 0.15 1 54 20 15 THR H H 8.01 0.02 1 55 20 15 THR C C 177.60 0.30 1 56 20 15 THR CA C 67.08 0.30 1 57 20 15 THR CB C 67.24 0.30 1 58 20 15 THR N N 123.10 0.15 1 59 21 16 ALA H H 9.11 0.02 1 60 21 16 ALA C C 181.10 0.30 1 61 21 16 ALA CA C 55.07 0.30 1 62 21 16 ALA CB C 17.18 0.30 1 63 21 16 ALA N N 125.90 0.15 1 64 22 17 GLY H H 8.54 0.02 1 65 22 17 GLY C C 177.10 0.30 1 66 22 17 GLY CA C 46.73 0.30 1 67 22 17 GLY N N 109.80 0.15 1 68 23 18 ALA H H 8.71 0.02 1 69 23 18 ALA C C 179.90 0.30 1 70 23 18 ALA CA C 54.91 0.30 1 71 23 18 ALA CB C 18.39 0.30 1 72 23 18 ALA N N 126.20 0.15 1 73 24 19 SER H H 8.37 0.02 1 74 24 19 SER C C 176.10 0.30 1 75 24 19 SER CA C 61.93 0.30 1 76 24 19 SER N N 113.60 0.15 1 77 25 20 ARG H H 7.89 0.02 1 78 25 20 ARG C C 178.80 0.30 1 79 25 20 ARG CA C 58.45 0.30 1 80 25 20 ARG CB C 28.26 0.30 1 81 25 20 ARG N N 121.90 0.15 1 82 26 21 ARG H H 7.99 0.02 1 83 26 21 ARG C C 179.70 0.30 1 84 26 21 ARG CA C 58.36 0.30 1 85 26 21 ARG CB C 27.48 0.30 1 86 26 21 ARG N N 118.90 0.15 1 87 27 22 GLY H H 8.15 0.02 1 88 27 22 GLY C C 175.00 0.30 1 89 27 22 GLY CA C 47.80 0.30 1 90 27 22 GLY N N 106.70 0.15 1 91 28 23 MET H H 8.39 0.02 1 92 28 23 MET C C 178.30 0.30 1 93 28 23 MET CA C 57.43 0.30 1 94 28 23 MET CB C 30.83 0.30 1 95 28 23 MET N N 120.10 0.15 1 96 29 24 LEU H H 8.55 0.02 1 97 29 24 LEU C C 180.60 0.30 1 98 29 24 LEU CA C 57.68 0.30 1 99 29 24 LEU CB C 40.20 0.30 1 100 29 24 LEU N N 118.40 0.15 1 101 30 25 GLU H H 7.93 0.02 1 102 30 25 GLU C C 179.30 0.30 1 103 30 25 GLU CA C 57.90 0.30 1 104 30 25 GLU CB C 27.81 0.30 1 105 30 25 GLU N N 118.00 0.15 1 106 31 26 VAL H H 8.07 0.02 1 107 31 26 VAL C C 177.80 0.30 1 108 31 26 VAL CA C 66.90 0.30 1 109 31 26 VAL CB C 29.94 0.30 1 110 31 26 VAL N N 122.90 0.15 1 111 32 27 ILE H H 8.94 0.02 1 112 32 27 ILE C C 177.50 0.30 1 113 32 27 ILE CA C 66.77 0.30 1 114 32 27 ILE CB C 37.18 0.30 1 115 32 27 ILE N N 121.80 0.15 1 116 33 28 LYS H H 7.59 0.02 1 117 33 28 LYS C C 179.70 0.30 1 118 33 28 LYS CA C 59.23 0.30 1 119 33 28 LYS CB C 30.82 0.30 1 120 33 28 LYS N N 117.20 0.15 1 121 34 29 LEU H H 8.02 0.02 1 122 34 29 LEU C C 178.90 0.30 1 123 34 29 LEU CA C 57.95 0.30 1 124 34 29 LEU CB C 41.11 0.30 1 125 34 29 LEU N N 123.80 0.15 1 126 35 30 LEU H H 9.05 0.02 1 127 35 30 LEU C C 180.10 0.30 1 128 35 30 LEU CA C 57.64 0.30 1 129 35 30 LEU CB C 40.11 0.30 1 130 35 30 LEU N N 118.00 0.15 1 131 36 31 GLN H H 8.58 0.02 1 132 36 31 GLN C C 178.40 0.30 1 133 36 31 GLN CA C 57.73 0.30 1 134 36 31 GLN CB C 27.29 0.30 1 135 36 31 GLN N N 115.20 0.15 1 136 37 32 SER H H 8.57 0.02 1 137 37 32 SER C C 174.90 0.30 1 138 37 32 SER CA C 60.00 0.30 1 139 37 32 SER CB C 62.92 0.30 1 140 37 32 SER N N 114.30 0.15 1 141 38 33 LYS H H 8.53 0.02 1 142 38 33 LYS C C 177.10 0.30 1 143 38 33 LYS CA C 57.32 0.30 1 144 38 33 LYS CB C 32.50 0.30 1 145 38 33 LYS N N 121.70 0.15 1 146 39 34 TYR H H 6.40 0.02 1 147 39 34 TYR C C 175.10 0.30 1 148 39 34 TYR CA C 57.53 0.30 1 149 39 34 TYR CB C 38.07 0.30 1 150 39 34 TYR N N 112.00 0.15 1 151 40 35 HIS H H 6.84 0.02 1 152 40 35 HIS C C 175.70 0.30 1 153 40 35 HIS CA C 57.12 0.30 1 154 40 35 HIS CB C 26.35 0.30 1 155 40 35 HIS N N 112.50 0.15 1 156 41 36 TYR H H 8.71 0.02 1 157 41 36 TYR C C 176.20 0.30 1 158 41 36 TYR CA C 56.89 0.30 1 159 41 36 TYR CB C 37.28 0.30 1 160 41 36 TYR N N 121.60 0.15 1 161 42 37 LYS H H 8.70 0.02 1 162 42 37 LYS C C 178.60 0.30 1 163 42 37 LYS CA C 55.00 0.30 1 164 42 37 LYS CB C 29.83 0.30 1 165 42 37 LYS N N 121.70 0.15 1 166 43 38 GLU H H 9.48 0.02 1 167 43 38 GLU C C 177.50 0.30 1 168 43 38 GLU CA C 59.38 0.30 1 169 43 38 GLU CB C 27.13 0.30 1 170 43 38 GLU N N 125.50 0.15 1 171 44 39 GLU H H 10.53 0.02 1 172 44 39 GLU C C 177.90 0.30 1 173 44 39 GLU CA C 57.91 0.30 1 174 44 39 GLU CB C 26.67 0.30 1 175 44 39 GLU N N 121.80 0.15 1 176 45 40 ALA H H 8.11 0.02 1 177 45 40 ALA C C 178.40 0.30 1 178 45 40 ALA CA C 55.39 0.30 1 179 45 40 ALA CB C 19.17 0.30 1 180 45 40 ALA N N 122.30 0.15 1 181 46 41 GLU H H 8.09 0.02 1 182 46 41 GLU C C 178.30 0.30 1 183 46 41 GLU CA C 59.19 0.30 1 184 46 41 GLU CB C 28.65 0.30 1 185 46 41 GLU N N 115.90 0.15 1 186 47 42 ILE H H 6.97 0.02 1 187 47 42 ILE C C 178.70 0.30 1 188 47 42 ILE CA C 63.68 0.30 1 189 47 42 ILE CB C 36.95 0.30 1 190 47 42 ILE N N 119.10 0.15 1 191 48 43 ILE H H 8.02 0.02 1 192 48 43 ILE C C 177.20 0.30 1 193 48 43 ILE CA C 65.42 0.30 1 194 48 43 ILE CB C 37.47 0.30 1 195 48 43 ILE N N 119.80 0.15 1 196 49 44 CYS H H 7.39 0.02 1 197 49 44 CYS C C 177.00 0.30 1 198 49 44 CYS CA C 63.80 0.30 1 199 49 44 CYS CB C 26.61 0.30 1 200 49 44 CYS N N 116.10 0.15 1 201 50 45 ASP H H 8.34 0.02 1 202 50 45 ASP C C 179.00 0.30 1 203 50 45 ASP CA C 57.21 0.30 1 204 50 45 ASP CB C 39.45 0.30 1 205 50 45 ASP N N 121.20 0.15 1 206 51 46 LYS H H 8.13 0.02 1 207 51 46 LYS C C 180.30 0.30 1 208 51 46 LYS CA C 58.83 0.30 1 209 51 46 LYS CB C 32.51 0.30 1 210 51 46 LYS N N 119.60 0.15 1 211 52 47 VAL H H 7.87 0.02 1 212 52 47 VAL C C 176.70 0.30 1 213 52 47 VAL CA C 66.81 0.30 1 214 52 47 VAL CB C 29.09 0.30 1 215 52 47 VAL N N 120.70 0.15 1 216 53 48 GLN H H 8.03 0.02 1 217 53 48 GLN C C 178.90 0.30 1 218 53 48 GLN CA C 58.83 0.30 1 219 53 48 GLN CB C 27.37 0.30 1 220 53 48 GLN N N 119.00 0.15 1 221 54 49 VAL H H 7.54 0.02 1 222 54 49 VAL C C 179.50 0.30 1 223 54 49 VAL CA C 65.69 0.30 1 224 54 49 VAL CB C 30.50 0.30 1 225 54 49 VAL N N 118.80 0.15 1 226 55 50 LYS H H 7.58 0.02 1 227 55 50 LYS C C 179.50 0.30 1 228 55 50 LYS CA C 59.28 0.30 1 229 55 50 LYS CB C 30.39 0.30 1 230 55 50 LYS N N 121.90 0.15 1 231 56 51 LEU H H 8.42 0.02 1 232 56 51 LEU C C 179.30 0.30 1 233 56 51 LEU CA C 57.09 0.30 1 234 56 51 LEU CB C 41.60 0.30 1 235 56 51 LEU N N 118.80 0.15 1 236 57 52 SER H H 7.54 0.02 1 237 57 52 SER C C 174.50 0.30 1 238 57 52 SER CA C 59.77 0.30 1 239 57 52 SER CB C 62.95 0.30 1 240 57 52 SER N N 113.20 0.15 1 241 58 53 LYS H H 7.30 0.02 1 242 58 53 LYS C C 176.60 0.30 1 243 58 53 LYS CA C 55.18 0.30 1 244 58 53 LYS CB C 31.47 0.30 1 245 58 53 LYS N N 121.20 0.15 1 246 59 54 GLU H H 7.55 0.02 1 247 59 54 GLU N N 119.80 0.15 1 248 60 55 CYS C C 172.50 0.30 1 249 60 55 CYS CA C 57.70 0.30 1 250 60 55 CYS CB C 27.43 0.30 1 251 61 56 PHE H H 8.17 0.02 1 252 61 56 PHE C C 174.20 0.30 1 253 61 56 PHE CA C 55.51 0.30 1 254 61 56 PHE CB C 39.63 0.30 1 255 61 56 PHE N N 120.60 0.15 1 256 64 59 TYR C C 176.20 0.30 1 257 64 59 TYR CA C 57.51 0.30 1 258 64 59 TYR CB C 34.85 0.30 1 259 65 60 ASN H H 8.51 0.02 1 260 65 60 ASN C C 174.80 0.30 1 261 65 60 ASN CA C 52.79 0.30 1 262 65 60 ASN CB C 37.38 0.30 1 263 65 60 ASN N N 119.50 0.15 1 264 66 61 THR H H 8.23 0.02 1 265 66 61 THR CA C 61.14 0.30 1 266 66 61 THR CB C 68.87 0.30 1 267 66 61 THR N N 116.30 0.15 1 268 68 63 ILE C C 176.70 0.30 1 269 68 63 ILE CA C 61.01 0.30 1 270 68 63 ILE CB C 37.01 0.30 1 271 69 64 THR H H 8.51 0.02 1 272 69 64 THR C C 176.50 0.30 1 273 69 64 THR CA C 66.16 0.30 1 274 69 64 THR CB C 67.97 0.30 1 275 69 64 THR N N 120.00 0.15 1 276 74 69 SER C C 176.00 0.30 1 277 74 69 SER CA C 61.83 0.30 1 278 75 70 HIS H H 7.48 0.02 1 279 75 70 HIS C C 178.80 0.30 1 280 75 70 HIS CA C 57.49 0.30 1 281 75 70 HIS CB C 30.91 0.30 1 282 75 70 HIS N N 120.20 0.15 1 283 76 71 TRP H H 7.19 0.02 1 284 76 71 TRP C C 177.40 0.30 1 285 76 71 TRP CA C 60.14 0.30 1 286 76 71 TRP CB C 28.36 0.30 1 287 76 71 TRP N N 117.60 0.15 1 288 77 72 GLU H H 8.35 0.02 1 289 77 72 GLU C C 179.50 0.30 1 290 77 72 GLU CA C 59.90 0.30 1 291 77 72 GLU CB C 30.47 0.30 1 292 77 72 GLU N N 120.80 0.15 1 293 78 73 GLU H H 8.82 0.02 1 294 78 73 GLU C C 178.10 0.30 1 295 78 73 GLU CA C 58.10 0.30 1 296 78 73 GLU CB C 29.04 0.30 1 297 78 73 GLU N N 118.40 0.15 1 298 79 74 ALA H H 8.23 0.02 1 299 79 74 ALA C C 180.70 0.30 1 300 79 74 ALA CA C 54.86 0.30 1 301 79 74 ALA CB C 20.02 0.30 1 302 79 74 ALA N N 120.70 0.15 1 303 80 75 ILE H H 8.80 0.02 1 304 80 75 ILE C C 177.80 0.30 1 305 80 75 ILE CA C 65.79 0.30 1 306 80 75 ILE CB C 37.77 0.30 1 307 80 75 ILE N N 119.00 0.15 1 308 81 76 GLN H H 8.13 0.02 1 309 81 76 GLN C C 179.60 0.30 1 310 81 76 GLN CA C 59.32 0.30 1 311 81 76 GLN CB C 27.64 0.30 1 312 81 76 GLN N N 121.60 0.15 1 313 82 77 GLU H H 9.07 0.02 1 314 82 77 GLU C C 177.90 0.30 1 315 82 77 GLU CA C 58.00 0.30 1 316 82 77 GLU CB C 29.44 0.30 1 317 82 77 GLU N N 117.70 0.15 1 318 83 78 THR H H 7.45 0.02 1 319 83 78 THR C C 175.30 0.30 1 320 83 78 THR CA C 65.03 0.30 1 321 83 78 THR CB C 68.73 0.30 1 322 83 78 THR N N 113.00 0.15 1 323 84 79 LYS H H 8.88 0.02 1 324 84 79 LYS C C 178.00 0.30 1 325 84 79 LYS CA C 54.07 0.30 1 326 84 79 LYS CB C 30.41 0.30 1 327 84 79 LYS N N 118.40 0.15 1 328 85 80 GLY H H 8.00 0.02 1 329 85 80 GLY C C 173.80 0.30 1 330 85 80 GLY CA C 44.12 0.30 1 331 85 80 GLY N N 109.00 0.15 1 332 86 81 GLY H H 8.29 0.02 1 333 86 81 GLY C C 173.70 0.30 1 334 86 81 GLY CA C 43.99 0.30 1 335 86 81 GLY N N 106.00 0.15 1 336 87 82 ALA H H 8.24 0.02 1 337 87 82 ALA C C 178.20 0.30 1 338 87 82 ALA CA C 51.02 0.30 1 339 87 82 ALA CB C 18.59 0.30 1 340 87 82 ALA N N 121.80 0.15 1 341 88 83 ALA H H 8.65 0.02 1 342 88 83 ALA C C 177.50 0.30 1 343 88 83 ALA CA C 52.40 0.30 1 344 88 83 ALA CB C 17.32 0.30 1 345 88 83 ALA N N 125.30 0.15 1 346 89 84 ASN H H 9.16 0.02 1 347 89 84 ASN C C 174.30 0.30 1 348 89 84 ASN CA C 50.46 0.30 1 349 89 84 ASN CB C 37.53 0.30 1 350 89 84 ASN N N 122.70 0.15 1 351 90 85 ARG H H 8.47 0.02 1 352 90 85 ARG C C 177.80 0.30 1 353 90 85 ARG CA C 57.72 0.30 1 354 90 85 ARG CB C 28.22 0.30 1 355 90 85 ARG N N 124.70 0.15 1 356 91 86 LYS H H 8.33 0.02 1 357 91 86 LYS C C 179.90 0.30 1 358 91 86 LYS CA C 58.51 0.30 1 359 91 86 LYS CB C 30.53 0.30 1 360 91 86 LYS N N 117.70 0.15 1 361 92 87 LEU H H 7.48 0.02 1 362 92 87 LEU C C 178.40 0.30 1 363 92 87 LEU CA C 56.27 0.30 1 364 92 87 LEU CB C 41.19 0.30 1 365 92 87 LEU N N 121.80 0.15 1 366 93 88 ALA H H 7.89 0.02 1 367 93 88 ALA C C 178.80 0.30 1 368 93 88 ALA CA C 55.44 0.30 1 369 93 88 ALA CB C 17.61 0.30 1 370 93 88 ALA N N 121.40 0.15 1 371 94 89 GLU H H 8.56 0.02 1 372 94 89 GLU C C 177.60 0.30 1 373 94 89 GLU CA C 59.27 0.30 1 374 94 89 GLU CB C 28.95 0.30 1 375 94 89 GLU N N 116.00 0.15 1 376 95 90 GLU H H 7.78 0.02 1 377 95 90 GLU C C 180.00 0.30 1 378 95 90 GLU CA C 59.25 0.30 1 379 95 90 GLU CB C 28.89 0.30 1 380 95 90 GLU N N 120.80 0.15 1 381 96 91 CYS H H 8.13 0.02 1 382 96 91 CYS C C 175.30 0.30 1 383 96 91 CYS CA C 63.50 0.30 1 384 96 91 CYS CB C 27.10 0.30 1 385 96 91 CYS N N 116.40 0.15 1 386 97 92 TYR H H 8.20 0.02 1 387 97 92 TYR C C 177.10 0.30 1 388 97 92 TYR CA C 60.96 0.30 1 389 97 92 TYR CB C 37.37 0.30 1 390 97 92 TYR N N 118.90 0.15 1 391 98 93 PHE H H 8.76 0.02 1 392 98 93 PHE C C 179.00 0.30 1 393 98 93 PHE CA C 61.01 0.30 1 394 98 93 PHE CB C 36.68 0.30 1 395 98 93 PHE N N 115.40 0.15 1 396 99 94 LEU H H 7.70 0.02 1 397 99 94 LEU C C 179.20 0.30 1 398 99 94 LEU CA C 57.23 0.30 1 399 99 94 LEU CB C 40.43 0.30 1 400 99 94 LEU N N 122.80 0.15 1 401 100 95 TRP H H 8.71 0.02 1 402 100 95 TRP HE1 H 10.44 0.20 1 403 100 95 TRP C C 176.90 0.30 1 404 100 95 TRP CA C 62.36 0.30 1 405 100 95 TRP CB C 27.58 0.30 1 406 100 95 TRP N N 125.50 0.15 1 407 100 95 TRP NE1 N 129.70 1.50 1 408 101 96 LYS H H 8.99 0.02 1 409 101 96 LYS C C 178.00 0.30 1 410 101 96 LYS CA C 59.12 0.30 1 411 101 96 LYS CB C 32.23 0.30 1 412 101 96 LYS N N 118.20 0.15 1 413 102 97 SER H H 8.36 0.02 1 414 102 97 SER C C 177.90 0.30 1 415 102 97 SER CA C 60.67 0.30 1 416 102 97 SER CB C 61.73 0.30 1 417 102 97 SER N N 112.30 0.15 1 418 103 98 THR H H 8.06 0.02 1 419 103 98 THR C C 176.20 0.30 1 420 103 98 THR CA C 66.71 0.30 1 421 103 98 THR CB C 67.92 0.30 1 422 103 98 THR N N 118.00 0.15 1 423 104 99 ARG H H 8.20 0.02 1 424 104 99 ARG C C 178.00 0.30 1 425 104 99 ARG CA C 58.57 0.30 1 426 104 99 ARG CB C 28.73 0.30 1 427 104 99 ARG N N 120.50 0.15 1 428 105 100 LEU H H 7.53 0.02 1 429 105 100 LEU C C 179.50 0.30 1 430 105 100 LEU CA C 57.41 0.30 1 431 105 100 LEU CB C 40.28 0.30 1 432 105 100 LEU N N 118.20 0.15 1 433 106 101 GLN H H 7.46 0.02 1 434 106 101 GLN C C 176.40 0.30 1 435 106 101 GLN CA C 57.24 0.30 1 436 106 101 GLN CB C 27.69 0.30 1 437 106 101 GLN N N 116.90 0.15 1 438 107 102 HIS H H 7.26 0.02 1 439 107 102 HIS C C 174.50 0.30 1 440 107 102 HIS CA C 56.13 0.30 1 441 107 102 HIS CB C 30.32 0.30 1 442 107 102 HIS N N 115.00 0.15 1 443 108 103 MET H H 7.32 0.02 1 444 108 103 MET C C 172.60 0.30 1 445 108 103 MET CA C 55.23 0.30 1 446 108 103 MET CB C 30.39 0.30 1 447 108 103 MET N N 122.50 0.15 1 448 109 104 THR H H 7.70 0.02 1 449 109 104 THR C C 173.80 0.30 1 450 109 104 THR CA C 59.16 0.30 1 451 109 104 THR CB C 70.84 0.30 1 452 109 104 THR N N 112.20 0.15 1 453 110 105 LEU H H 8.90 0.02 1 454 110 105 LEU C C 176.50 0.30 1 455 110 105 LEU CA C 53.43 0.30 1 456 110 105 LEU CB C 42.18 0.30 1 457 110 105 LEU N N 123.20 0.15 1 458 111 106 ALA H H 9.11 0.02 1 459 111 106 ALA C C 178.90 0.30 1 460 111 106 ALA CA C 51.22 0.30 1 461 111 106 ALA CB C 18.64 0.30 1 462 111 106 ALA N N 127.10 0.15 1 463 112 107 GLU H H 9.06 0.02 1 464 112 107 GLU C C 179.30 0.30 1 465 112 107 GLU CA C 59.33 0.30 1 466 112 107 GLU CB C 28.25 0.30 1 467 112 107 GLU N N 121.50 0.15 1 468 113 108 ASP H H 8.82 0.02 1 469 113 108 ASP C C 179.20 0.30 1 470 113 108 ASP CA C 55.66 0.30 1 471 113 108 ASP CB C 38.13 0.30 1 472 113 108 ASP N N 117.10 0.15 1 473 114 109 VAL H H 7.40 0.02 1 474 114 109 VAL C C 177.30 0.30 1 475 114 109 VAL CA C 65.91 0.30 1 476 114 109 VAL CB C 30.51 0.30 1 477 114 109 VAL N N 124.90 0.15 1 478 115 110 LYS H H 8.14 0.02 1 479 115 110 LYS C C 179.20 0.30 1 480 115 110 LYS CA C 60.08 0.30 1 481 115 110 LYS CB C 31.46 0.30 1 482 115 110 LYS N N 119.70 0.15 1 483 116 111 ALA H H 7.86 0.02 1 484 116 111 ALA C C 179.70 0.30 1 485 116 111 ALA CA C 54.54 0.30 1 486 116 111 ALA CB C 16.95 0.30 1 487 116 111 ALA N N 120.70 0.15 1 488 117 112 MET H H 7.66 0.02 1 489 117 112 MET C C 178.70 0.30 1 490 117 112 MET CA C 58.72 0.30 1 491 117 112 MET CB C 30.06 0.30 1 492 117 112 MET N N 120.00 0.15 1 493 118 113 LEU H H 8.60 0.02 1 494 118 113 LEU C C 180.70 0.30 1 495 118 113 LEU CA C 57.51 0.30 1 496 118 113 LEU CB C 40.11 0.30 1 497 118 113 LEU N N 119.40 0.15 1 498 119 114 THR H H 8.28 0.02 1 499 119 114 THR C C 176.20 0.30 1 500 119 114 THR CA C 66.80 0.30 1 501 119 114 THR CB C 68.12 0.30 1 502 119 114 THR N N 117.70 0.15 1 503 120 115 GLU H H 7.81 0.02 1 504 120 115 GLU C C 180.40 0.30 1 505 120 115 GLU CA C 58.21 0.30 1 506 120 115 GLU CB C 28.33 0.30 1 507 120 115 GLU N N 120.40 0.15 1 508 121 116 LEU H H 8.65 0.02 1 509 121 116 LEU C C 178.80 0.30 1 510 121 116 LEU CA C 57.46 0.30 1 511 121 116 LEU CB C 41.61 0.30 1 512 121 116 LEU N N 120.60 0.15 1 513 122 117 ARG H H 7.64 0.02 1 514 122 117 ARG C C 176.60 0.30 1 515 122 117 ARG CA C 56.04 0.30 1 516 122 117 ARG CB C 29.92 0.30 1 517 122 117 ARG N N 117.40 0.15 1 518 123 118 LYS H H 7.26 0.02 1 519 123 118 LYS C C 177.90 0.30 1 520 123 118 LYS CA C 58.14 0.30 1 521 123 118 LYS CB C 31.96 0.30 1 522 123 118 LYS N N 114.70 0.15 1 523 124 119 GLU H H 7.91 0.02 1 524 124 119 GLU C C 175.80 0.30 1 525 124 119 GLU CA C 56.25 0.30 1 526 124 119 GLU CB C 32.43 0.30 1 527 124 119 GLU N N 114.50 0.15 1 528 125 120 VAL H H 8.06 0.02 1 529 125 120 VAL C C 174.30 0.30 1 530 125 120 VAL CA C 58.80 0.30 1 531 125 120 VAL CB C 34.60 0.30 1 532 125 120 VAL N N 113.40 0.15 1 533 127 122 LEU C C 176.30 0.30 1 534 127 122 LEU CA C 52.92 0.30 1 535 127 122 LEU CB C 45.92 0.30 1 536 128 123 LEU H H 9.40 0.02 1 537 128 123 LEU C C 172.50 0.30 1 538 128 123 LEU CA C 53.44 0.30 1 539 128 123 LEU CB C 44.74 0.30 1 540 128 123 LEU N N 127.20 0.15 1 541 129 124 LEU H H 8.11 0.02 1 542 129 124 LEU C C 172.50 0.30 1 543 129 124 LEU CA C 52.71 0.30 1 544 129 124 LEU CB C 42.47 0.30 1 545 129 124 LEU N N 130.50 0.15 1 546 130 125 LEU H H 9.77 0.02 1 547 130 125 LEU C C 173.90 0.30 1 548 130 125 LEU CA C 52.73 0.30 1 549 130 125 LEU CB C 41.66 0.30 1 550 130 125 LEU N N 131.50 0.15 1 551 131 126 THR H H 8.33 0.02 1 552 131 126 THR C C 173.30 0.30 1 553 131 126 THR CA C 57.11 0.30 1 554 131 126 THR CB C 69.32 0.30 1 555 131 126 THR N N 121.40 0.15 1 556 132 127 ASN H H 10.03 0.02 1 557 132 127 ASN C C 175.80 0.30 1 558 132 127 ASN CA C 52.03 0.30 1 559 132 127 ASN CB C 38.90 0.30 1 560 132 127 ASN N N 132.90 0.15 1 561 133 128 GLY H H 9.51 0.02 1 562 133 128 GLY C C 173.10 0.30 1 563 133 128 GLY CA C 42.48 0.30 1 564 133 128 GLY N N 103.30 0.15 1 565 134 129 ASP H H 7.09 0.02 1 566 134 129 ASP C C 175.80 0.30 1 567 134 129 ASP CA C 54.07 0.30 1 568 134 129 ASP CB C 40.86 0.30 1 569 134 129 ASP N N 114.80 0.15 1 570 135 130 ARG H H 8.90 0.02 1 571 135 130 ARG C C 176.40 0.30 1 572 135 130 ARG CA C 59.09 0.30 1 573 135 130 ARG CB C 30.19 0.30 1 574 135 130 ARG N N 120.80 0.15 1 575 136 131 GLN H H 8.52 0.02 1 576 136 131 GLN C C 178.50 0.30 1 577 136 131 GLN CA C 58.77 0.30 1 578 136 131 GLN CB C 27.78 0.30 1 579 136 131 GLN N N 118.40 0.15 1 580 137 132 THR H H 8.22 0.02 1 581 137 132 THR C C 177.60 0.30 1 582 137 132 THR CA C 64.95 0.30 1 583 137 132 THR CB C 66.99 0.30 1 584 137 132 THR N N 115.50 0.15 1 585 138 133 GLN H H 8.47 0.02 1 586 138 133 GLN C C 179.00 0.30 1 587 138 133 GLN CA C 57.90 0.30 1 588 138 133 GLN CB C 28.80 0.30 1 589 138 133 GLN N N 117.40 0.15 1 590 139 134 ARG H H 8.33 0.02 1 591 139 134 ARG C C 179.60 0.30 1 592 139 134 ARG CA C 58.81 0.30 1 593 139 134 ARG CB C 27.50 0.30 1 594 139 134 ARG N N 117.50 0.15 1 595 140 135 GLU H H 8.22 0.02 1 596 140 135 GLU C C 180.40 0.30 1 597 140 135 GLU CA C 58.72 0.30 1 598 140 135 GLU CB C 28.56 0.30 1 599 140 135 GLU N N 120.10 0.15 1 600 141 136 LYS H H 7.71 0.02 1 601 141 136 LYS C C 178.60 0.30 1 602 141 136 LYS CA C 59.41 0.30 1 603 141 136 LYS CB C 33.13 0.30 1 604 141 136 LYS N N 119.90 0.15 1 605 142 137 ILE H H 8.17 0.02 1 606 142 137 ILE C C 178.50 0.30 1 607 142 137 ILE CA C 64.89 0.30 1 608 142 137 ILE CB C 37.82 0.30 1 609 142 137 ILE N N 120.30 0.15 1 610 143 138 GLU H H 8.14 0.02 1 611 143 138 GLU C C 179.30 0.30 1 612 143 138 GLU CA C 58.82 0.30 1 613 143 138 GLU CB C 28.60 0.30 1 614 143 138 GLU N N 119.70 0.15 1 615 144 139 ALA H H 8.28 0.02 1 616 144 139 ALA C C 179.10 0.30 1 617 144 139 ALA CA C 54.84 0.30 1 618 144 139 ALA CB C 17.97 0.30 1 619 144 139 ALA N N 122.70 0.15 1 620 145 140 CYS H H 7.99 0.02 1 621 145 140 CYS C C 174.00 0.30 1 622 145 140 CYS CA C 56.95 0.30 1 623 145 140 CYS CB C 28.23 0.30 1 624 145 140 CYS N N 109.90 0.15 1 625 146 141 ALA H H 7.92 0.02 1 626 146 141 ALA C C 178.40 0.30 1 627 146 141 ALA CA C 52.43 0.30 1 628 146 141 ALA CB C 15.68 0.30 1 629 146 141 ALA N N 124.00 0.15 1 630 147 142 CYS H H 7.58 0.02 1 631 147 142 CYS C C 176.80 0.30 1 632 147 142 CYS CA C 58.36 0.30 1 633 147 142 CYS CB C 29.21 0.30 1 634 147 142 CYS N N 110.60 0.15 1 635 148 143 GLN H H 9.33 0.02 1 636 148 143 GLN C C 177.50 0.30 1 637 148 143 GLN CA C 60.08 0.30 1 638 148 143 GLN CB C 26.89 0.30 1 639 148 143 GLN N N 124.60 0.15 1 640 149 144 SER H H 8.08 0.02 1 641 149 144 SER C C 174.40 0.30 1 642 149 144 SER CA C 59.98 0.30 1 643 149 144 SER CB C 61.93 0.30 1 644 149 144 SER N N 110.70 0.15 1 645 150 145 TYR H H 7.62 0.02 1 646 150 145 TYR C C 173.90 0.30 1 647 150 145 TYR CA C 58.88 0.30 1 648 150 145 TYR CB C 37.96 0.30 1 649 150 145 TYR N N 117.20 0.15 1 650 151 146 PHE H H 7.37 0.02 1 651 151 146 PHE C C 174.80 0.30 1 652 151 146 PHE CA C 57.36 0.30 1 653 151 146 PHE CB C 42.28 0.30 1 654 151 146 PHE N N 113.70 0.15 1 655 152 147 ASP H H 9.41 0.02 1 656 152 147 ASP C C 176.20 0.30 1 657 152 147 ASP CA C 57.07 0.30 1 658 152 147 ASP CB C 41.29 0.30 1 659 152 147 ASP N N 120.70 0.15 1 660 153 148 ALA H H 7.75 0.02 1 661 153 148 ALA C C 174.50 0.30 1 662 153 148 ALA CA C 51.49 0.30 1 663 153 148 ALA CB C 21.74 0.30 1 664 153 148 ALA N N 116.50 0.15 1 665 154 149 VAL H H 8.57 0.02 1 666 154 149 VAL C C 173.70 0.30 1 667 154 149 VAL CA C 61.00 0.30 1 668 154 149 VAL CB C 33.80 0.30 1 669 154 149 VAL N N 120.20 0.15 1 670 155 150 VAL H H 9.66 0.02 1 671 155 150 VAL C C 172.70 0.30 1 672 155 150 VAL CA C 61.27 0.30 1 673 155 150 VAL CB C 33.57 0.30 1 674 155 150 VAL N N 129.10 0.15 1 675 156 151 VAL H H 8.76 0.02 1 676 156 151 VAL C C 178.10 0.30 1 677 156 151 VAL CA C 59.13 0.30 1 678 156 151 VAL CB C 32.89 0.30 1 679 156 151 VAL N N 127.10 0.15 1 680 157 152 GLY H H 10.56 0.02 1 681 157 152 GLY C C 178.10 0.30 1 682 157 152 GLY CA C 48.86 0.30 1 683 157 152 GLY N N 117.00 0.15 1 684 158 153 GLY H H 8.39 0.02 1 685 158 153 GLY C C 174.70 0.30 1 686 158 153 GLY CA C 46.62 0.30 1 687 158 153 GLY N N 105.50 0.15 1 688 159 154 GLU H H 8.12 0.02 1 689 159 154 GLU C C 176.00 0.30 1 690 159 154 GLU CA C 55.59 0.30 1 691 159 154 GLU CB C 28.86 0.30 1 692 159 154 GLU N N 117.80 0.15 1 693 160 155 GLN H H 7.89 0.02 1 694 160 155 GLN C C 176.80 0.30 1 695 160 155 GLN CA C 51.94 0.30 1 696 160 155 GLN CB C 29.34 0.30 1 697 160 155 GLN N N 117.00 0.15 1 698 161 156 ARG H H 8.84 0.02 1 699 161 156 ARG C C 175.70 0.30 1 700 161 156 ARG CA C 58.86 0.30 1 701 161 156 ARG CB C 29.22 0.30 1 702 161 156 ARG N N 120.90 0.15 1 703 162 157 GLU H H 7.49 0.02 1 704 162 157 GLU C C 173.80 0.30 1 705 162 157 GLU CA C 53.82 0.30 1 706 162 157 GLU CB C 33.53 0.30 1 707 162 157 GLU N N 112.90 0.15 1 708 163 158 GLU H H 8.40 0.02 1 709 163 158 GLU C C 175.70 0.30 1 710 163 158 GLU CA C 52.83 0.30 1 711 163 158 GLU CB C 29.88 0.30 1 712 163 158 GLU N N 117.60 0.15 1 713 164 159 LYS H H 8.93 0.02 1 714 164 159 LYS C C 176.80 0.30 1 715 164 159 LYS CA C 57.01 0.30 1 716 164 159 LYS CB C 30.26 0.30 1 717 164 159 LYS N N 117.20 0.15 1 718 165 160 PRO C C 173.40 0.30 1 719 165 160 PRO CA C 63.78 0.30 1 720 165 160 PRO CB C 33.61 0.30 1 721 166 161 ALA H H 9.37 0.02 1 722 166 161 ALA C C 177.20 0.30 1 723 166 161 ALA CA C 51.00 0.30 1 724 166 161 ALA CB C 17.29 0.30 1 725 166 161 ALA N N 132.70 0.15 1 726 167 162 PRO C C 178.10 0.30 1 727 167 162 PRO CA C 64.32 0.30 1 728 167 162 PRO CB C 29.91 0.30 1 729 168 163 SER H H 8.39 0.02 1 730 168 163 SER C C 177.90 0.30 1 731 168 163 SER CA C 60.76 0.30 1 732 168 163 SER N N 111.50 0.15 1 733 169 164 ILE H H 6.96 0.02 1 734 169 164 ILE C C 177.00 0.30 1 735 169 164 ILE CA C 64.06 0.30 1 736 169 164 ILE CB C 36.66 0.30 1 737 169 164 ILE N N 122.60 0.15 1 738 170 165 PHE H H 7.34 0.02 1 739 170 165 PHE C C 178.50 0.30 1 740 170 165 PHE CA C 62.39 0.30 1 741 170 165 PHE CB C 38.02 0.30 1 742 170 165 PHE N N 123.90 0.15 1 743 171 166 TYR H H 8.25 0.02 1 744 171 166 TYR C C 178.60 0.30 1 745 171 166 TYR CA C 58.72 0.30 1 746 171 166 TYR CB C 35.07 0.30 1 747 171 166 TYR N N 119.90 0.15 1 748 172 167 TYR H H 8.25 0.02 1 749 172 167 TYR C C 177.70 0.30 1 750 172 167 TYR CA C 61.24 0.30 1 751 172 167 TYR CB C 37.18 0.30 1 752 172 167 TYR N N 121.40 0.15 1 753 173 168 CYS H H 7.73 0.02 1 754 173 168 CYS C C 176.30 0.30 1 755 173 168 CYS CA C 63.63 0.30 1 756 173 168 CYS CB C 27.32 0.30 1 757 173 168 CYS N N 118.10 0.15 1 758 174 169 CYS H H 8.35 0.02 1 759 174 169 CYS C C 177.10 0.30 1 760 174 169 CYS CA C 63.53 0.30 1 761 174 169 CYS CB C 25.22 0.30 1 762 174 169 CYS N N 116.20 0.15 1 763 175 170 ASN H H 8.27 0.02 1 764 175 170 ASN C C 178.10 0.30 1 765 175 170 ASN CA C 55.66 0.30 1 766 175 170 ASN CB C 37.62 0.30 1 767 175 170 ASN N N 118.70 0.15 1 768 176 171 LEU H H 8.03 0.02 1 769 176 171 LEU C C 179.10 0.30 1 770 176 171 LEU CA C 57.25 0.30 1 771 176 171 LEU CB C 41.14 0.30 1 772 176 171 LEU N N 121.20 0.15 1 773 177 172 LEU H H 7.11 0.02 1 774 177 172 LEU C C 176.90 0.30 1 775 177 172 LEU CA C 53.76 0.30 1 776 177 172 LEU CB C 43.46 0.30 1 777 177 172 LEU N N 113.80 0.15 1 778 178 173 GLY H H 8.02 0.02 1 779 178 173 GLY C C 175.10 0.30 1 780 178 173 GLY CA C 46.11 0.30 1 781 178 173 GLY N N 109.40 0.15 1 782 179 174 VAL H H 7.85 0.02 1 783 179 174 VAL C C 174.30 0.30 1 784 179 174 VAL CA C 57.93 0.30 1 785 179 174 VAL CB C 33.46 0.30 1 786 179 174 VAL N N 111.30 0.15 1 787 180 175 GLN H H 9.09 0.02 1 788 180 175 GLN C C 176.00 0.30 1 789 180 175 GLN CA C 52.43 0.30 1 790 180 175 GLN CB C 27.73 0.30 1 791 180 175 GLN N N 118.80 0.15 1 792 181 176 PRO C C 178.70 0.30 1 793 181 176 PRO CA C 66.78 0.30 1 794 181 176 PRO CB C 31.08 0.30 1 795 182 177 GLY H H 8.62 0.02 1 796 182 177 GLY C C 173.20 0.30 1 797 182 177 GLY CA C 45.67 0.30 1 798 182 177 GLY N N 102.20 0.15 1 799 183 178 ASP H H 8.18 0.02 1 800 183 178 ASP N N 117.50 0.15 1 801 185 180 VAL C C 173.60 0.30 1 802 185 180 VAL CA C 59.14 0.30 1 803 185 180 VAL CB C 34.69 0.30 1 804 186 181 MET H H 7.85 0.02 1 805 186 181 MET C C 172.50 0.30 1 806 186 181 MET CA C 53.03 0.30 1 807 186 181 MET CB C 34.94 0.30 1 808 186 181 MET N N 124.30 0.15 1 809 187 182 VAL H H 9.23 0.02 1 810 187 182 VAL C C 173.80 0.30 1 811 187 182 VAL CA C 59.39 0.30 1 812 187 182 VAL CB C 32.36 0.30 1 813 187 182 VAL N N 130.30 0.15 1 814 188 183 GLY H H 8.32 0.02 1 815 188 183 GLY C C 173.90 0.30 1 816 188 183 GLY CA C 46.01 0.30 1 817 188 183 GLY N N 106.80 0.15 1 818 189 184 ASP H H 8.44 0.02 1 819 189 184 ASP C C 178.20 0.30 1 820 189 184 ASP CA C 53.72 0.30 1 821 189 184 ASP CB C 41.57 0.30 1 822 189 184 ASP N N 117.90 0.15 1 823 190 185 THR H H 9.51 0.02 1 824 190 185 THR C C 175.70 0.30 1 825 190 185 THR CA C 61.80 0.30 1 826 190 185 THR CB C 67.76 0.30 1 827 190 185 THR N N 121.60 0.15 1 828 191 186 LEU H H 9.39 0.02 1 829 191 186 LEU C C 179.00 0.30 1 830 191 186 LEU CA C 57.33 0.30 1 831 191 186 LEU CB C 40.46 0.30 1 832 191 186 LEU N N 129.70 0.15 1 833 192 187 GLU H H 9.31 0.02 1 834 192 187 GLU C C 175.90 0.30 1 835 192 187 GLU CA C 59.30 0.30 1 836 192 187 GLU CB C 28.08 0.30 1 837 192 187 GLU N N 114.40 0.15 1 838 193 188 THR H H 6.91 0.02 1 839 193 188 THR C C 175.10 0.30 1 840 193 188 THR CA C 59.75 0.30 1 841 193 188 THR CB C 67.54 0.30 1 842 193 188 THR N N 105.90 0.15 1 843 194 189 ASP H H 8.36 0.02 1 844 194 189 ASP C C 176.60 0.30 1 845 194 189 ASP CA C 58.60 0.30 1 846 194 189 ASP CB C 42.12 0.30 1 847 194 189 ASP N N 125.80 0.15 1 848 195 190 ILE H H 7.19 0.02 1 849 195 190 ILE C C 177.60 0.30 1 850 195 190 ILE CA C 61.37 0.30 1 851 195 190 ILE CB C 32.18 0.30 1 852 195 190 ILE N N 116.60 0.15 1 853 196 191 GLN H H 8.54 0.02 1 854 196 191 GLN C C 177.50 0.30 1 855 196 191 GLN CA C 57.32 0.30 1 856 196 191 GLN CB C 27.83 0.30 1 857 196 191 GLN N N 117.50 0.15 1 858 197 192 GLY H H 7.41 0.02 1 859 197 192 GLY C C 173.60 0.30 1 860 197 192 GLY CA C 47.33 0.30 1 861 197 192 GLY N N 104.70 0.15 1 862 198 193 GLY H H 7.61 0.02 1 863 198 193 GLY C C 176.20 0.30 1 864 198 193 GLY CA C 46.00 0.30 1 865 198 193 GLY N N 107.30 0.15 1 866 199 194 LEU H H 8.27 0.02 1 867 199 194 LEU C C 180.50 0.30 1 868 199 194 LEU CA C 57.18 0.30 1 869 199 194 LEU CB C 39.76 0.30 1 870 199 194 LEU N N 122.10 0.15 1 871 200 195 ASN H H 8.72 0.02 1 872 200 195 ASN C C 177.00 0.30 1 873 200 195 ASN CA C 54.46 0.30 1 874 200 195 ASN CB C 36.96 0.30 1 875 200 195 ASN N N 120.10 0.15 1 876 201 196 ALA H H 7.65 0.02 1 877 201 196 ALA C C 176.50 0.30 1 878 201 196 ALA CA C 50.65 0.30 1 879 201 196 ALA CB C 19.04 0.30 1 880 201 196 ALA N N 117.90 0.15 1 881 202 197 GLY H H 7.48 0.02 1 882 202 197 GLY C C 175.10 0.30 1 883 202 197 GLY CA C 46.26 0.30 1 884 202 197 GLY N N 105.90 0.15 1 885 203 198 LEU H H 7.39 0.02 1 886 203 198 LEU C C 176.90 0.30 1 887 203 198 LEU CA C 54.15 0.30 1 888 203 198 LEU CB C 38.45 0.30 1 889 203 198 LEU N N 115.70 0.15 1 890 204 199 LYS H H 7.88 0.02 1 891 204 199 LYS C C 176.50 0.30 1 892 204 199 LYS CA C 58.65 0.30 1 893 204 199 LYS CB C 30.73 0.30 1 894 204 199 LYS N N 121.30 0.15 1 895 205 200 ALA H H 7.05 0.02 1 896 205 200 ALA C C 174.30 0.30 1 897 205 200 ALA CA C 50.02 0.30 1 898 205 200 ALA CB C 21.52 0.30 1 899 205 200 ALA N N 108.50 0.15 1 900 206 201 THR H H 8.45 0.02 1 901 206 201 THR C C 172.90 0.30 1 902 206 201 THR CA C 58.87 0.30 1 903 206 201 THR CB C 71.54 0.30 1 904 206 201 THR N N 113.50 0.15 1 905 207 202 VAL H H 9.33 0.02 1 906 207 202 VAL C C 173.10 0.30 1 907 207 202 VAL CA C 59.99 0.30 1 908 207 202 VAL CB C 32.60 0.30 1 909 207 202 VAL N N 123.30 0.15 1 910 208 203 TRP H H 9.07 0.02 1 911 208 203 TRP C C 174.90 0.30 1 912 208 203 TRP CA C 53.36 0.30 1 913 208 203 TRP CB C 30.35 0.30 1 914 208 203 TRP N N 126.60 0.15 1 915 209 204 ILE H H 8.47 0.02 1 916 209 204 ILE C C 173.40 0.30 1 917 209 204 ILE CA C 58.79 0.30 1 918 209 204 ILE CB C 35.21 0.30 1 919 209 204 ILE N N 128.90 0.15 1 920 210 205 ASN H H 8.40 0.02 1 921 210 205 ASN C C 175.70 0.30 1 922 210 205 ASN CA C 48.92 0.30 1 923 210 205 ASN CB C 35.74 0.30 1 924 210 205 ASN N N 126.40 0.15 1 925 211 206 LYS H H 8.60 0.02 1 926 211 206 LYS C C 177.90 0.30 1 927 211 206 LYS CA C 58.31 0.30 1 928 211 206 LYS CB C 31.89 0.30 1 929 211 206 LYS N N 122.90 0.15 1 930 212 207 ASN H H 8.57 0.02 1 931 212 207 ASN C C 175.60 0.30 1 932 212 207 ASN CA C 52.37 0.30 1 933 212 207 ASN CB C 38.23 0.30 1 934 212 207 ASN N N 113.50 0.15 1 935 213 208 GLY H H 7.30 0.02 1 936 213 208 GLY C C 175.00 0.30 1 937 213 208 GLY CA C 46.91 0.30 1 938 213 208 GLY N N 109.10 0.15 1 939 214 209 ILE H H 8.16 0.02 1 940 214 209 ILE C C 176.60 0.30 1 941 214 209 ILE CA C 60.89 0.30 1 942 214 209 ILE CB C 37.78 0.30 1 943 214 209 ILE N N 118.80 0.15 1 944 215 210 VAL H H 8.71 0.02 1 945 215 210 VAL C C 174.60 0.30 1 946 215 210 VAL CA C 59.33 0.30 1 947 215 210 VAL CB C 31.39 0.30 1 948 215 210 VAL N N 127.10 0.15 1 949 216 211 PRO C C 176.80 0.30 1 950 216 211 PRO CA C 61.87 0.30 1 951 216 211 PRO CB C 31.97 0.30 1 952 217 212 LEU H H 8.28 0.02 1 953 217 212 LEU C C 179.70 0.30 1 954 217 212 LEU CA C 54.12 0.30 1 955 217 212 LEU CB C 41.49 0.30 1 956 217 212 LEU N N 119.90 0.15 1 957 219 214 SER C C 175.00 0.30 1 958 219 214 SER CA C 57.44 0.30 1 959 219 214 SER CB C 62.26 0.30 1 960 220 215 SER H H 7.48 0.02 1 961 220 215 SER C C 171.00 0.30 1 962 220 215 SER CA C 58.14 0.30 1 963 220 215 SER CB C 61.37 0.30 1 964 220 215 SER N N 119.80 0.15 1 965 221 216 PRO C C 174.40 0.30 1 966 221 216 PRO CA C 62.15 0.30 1 967 221 216 PRO CB C 30.90 0.30 1 968 222 217 VAL H H 7.91 0.02 1 969 222 217 VAL C C 174.10 0.30 1 970 222 217 VAL CA C 58.20 0.30 1 971 222 217 VAL CB C 31.92 0.30 1 972 222 217 VAL N N 122.50 0.15 1 973 223 218 PRO C C 176.40 0.30 1 974 223 218 PRO CA C 60.33 0.30 1 975 223 218 PRO CB C 31.22 0.30 1 976 224 219 HIS H H 8.22 0.02 1 977 224 219 HIS C C 175.80 0.30 1 978 224 219 HIS CA C 60.70 0.30 1 979 224 219 HIS CB C 30.96 0.30 1 980 224 219 HIS N N 119.60 0.15 1 981 225 220 TYR H H 8.07 0.02 1 982 225 220 TYR C C 173.40 0.30 1 983 225 220 TYR CA C 56.07 0.30 1 984 225 220 TYR CB C 43.34 0.30 1 985 225 220 TYR N N 111.90 0.15 1 986 226 221 MET H H 8.92 0.02 1 987 226 221 MET C C 174.60 0.30 1 988 226 221 MET CA C 54.11 0.30 1 989 226 221 MET CB C 36.08 0.30 1 990 226 221 MET N N 122.00 0.15 1 991 227 222 VAL H H 8.67 0.02 1 992 227 222 VAL C C 174.70 0.30 1 993 227 222 VAL CA C 58.37 0.30 1 994 227 222 VAL CB C 34.06 0.30 1 995 227 222 VAL N N 116.90 0.15 1 996 228 223 SER H H 8.99 0.02 1 997 228 223 SER C C 173.60 0.30 1 998 228 223 SER CA C 58.68 0.30 1 999 228 223 SER CB C 63.37 0.30 1 1000 228 223 SER N N 115.60 0.15 1 1001 229 224 SER H H 7.41 0.02 1 1002 229 224 SER C C 175.20 0.30 1 1003 229 224 SER CA C 55.57 0.30 1 1004 229 224 SER CB C 64.64 0.30 1 1005 229 224 SER N N 112.10 0.15 1 1006 230 225 VAL H H 9.32 0.02 1 1007 230 225 VAL C C 175.80 0.30 1 1008 230 225 VAL CA C 63.81 0.30 1 1009 230 225 VAL CB C 30.81 0.30 1 1010 230 225 VAL N N 123.80 0.15 1 1011 231 226 LEU H H 7.96 0.02 1 1012 231 226 LEU C C 178.60 0.30 1 1013 231 226 LEU CA C 55.72 0.30 1 1014 231 226 LEU CB C 39.20 0.30 1 1015 231 226 LEU N N 117.90 0.15 1 1016 232 227 GLU H H 7.51 0.02 1 1017 232 227 GLU C C 177.00 0.30 1 1018 232 227 GLU CA C 56.28 0.30 1 1019 232 227 GLU CB C 29.70 0.30 1 1020 232 227 GLU N N 116.60 0.15 1 1021 233 228 LEU H H 7.77 0.02 1 1022 233 228 LEU C C 174.60 0.30 1 1023 233 228 LEU CA C 57.78 0.30 1 1024 233 228 LEU CB C 39.06 0.30 1 1025 233 228 LEU N N 119.20 0.15 1 1026 234 229 PRO C C 178.50 0.30 1 1027 234 229 PRO CA C 67.16 0.30 1 1028 234 229 PRO CB C 29.32 0.30 1 1029 235 230 ALA H H 8.07 0.02 1 1030 235 230 ALA C C 180.60 0.30 1 1031 235 230 ALA CA C 54.10 0.30 1 1032 235 230 ALA CB C 17.13 0.30 1 1033 235 230 ALA N N 117.80 0.15 1 1034 236 231 LEU H H 7.48 0.02 1 1035 236 231 LEU C C 179.90 0.30 1 1036 236 231 LEU CA C 57.28 0.30 1 1037 236 231 LEU CB C 40.70 0.30 1 1038 236 231 LEU N N 120.10 0.15 1 1039 237 232 LEU H H 8.69 0.02 1 1040 237 232 LEU C C 179.20 0.30 1 1041 237 232 LEU CA C 57.19 0.30 1 1042 237 232 LEU CB C 39.39 0.30 1 1043 237 232 LEU N N 117.90 0.15 1 1044 238 233 GLN H H 7.86 0.02 1 1045 238 233 GLN C C 178.20 0.30 1 1046 238 233 GLN CA C 57.68 0.30 1 1047 238 233 GLN CB C 27.38 0.30 1 1048 238 233 GLN N N 116.90 0.15 1 1049 239 234 SER H H 7.73 0.02 1 1050 239 234 SER C C 175.70 0.30 1 1051 239 234 SER CA C 59.93 0.30 1 1052 239 234 SER CB C 62.88 0.30 1 1053 239 234 SER N N 114.80 0.15 1 1054 240 235 ILE C C 176.30 0.30 1 1055 240 235 ILE CA C 62.51 0.30 1 1056 240 235 ILE CB C 36.87 0.30 1 1057 241 236 ASP H H 7.92 0.02 1 1058 241 236 ASP C C 176.10 0.30 1 1059 241 236 ASP CA C 55.12 0.30 1 1060 241 236 ASP CB C 39.87 0.30 1 1061 241 236 ASP N N 118.90 0.15 1 1062 242 237 CYS H H 7.91 0.02 1 1063 242 237 CYS C C 174.10 0.30 1 1064 242 237 CYS CA C 59.22 0.30 1 1065 242 237 CYS CB C 27.64 0.30 1 1066 242 237 CYS N N 115.10 0.15 1 1067 245 240 PRO C C 176.10 0.30 1 1068 245 240 PRO CA C 63.00 0.30 1 1069 245 240 PRO CB C 30.96 0.30 1 1070 246 241 ARG H H 8.00 0.02 1 1071 246 241 ARG C C 181.30 0.30 1 1072 246 241 ARG CA C 56.81 0.30 1 1073 246 241 ARG CB C 30.65 0.30 1 1074 246 241 ARG N N 126.80 0.15 1 stop_ save_