data_27469 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 in complex with 1,4,5,6-tetrahydro-NADP ; _BMRB_accession_number 27469 _BMRB_flat_file_name bmr27469.str _Entry_type original _Submission_date 2018-05-02 _Accession_date 2018-05-02 _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 Iorgu Andreea I. . 2 Baxter Nicola J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 335 "13C chemical shifts" 1033 "15N chemical shifts" 335 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-22 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27224 ; 1H, 15N, 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 in complex with oxidised flavin mononucleotide ; 27470 ; 1H, 15N, 13C backbone resonance assignments of pentaerythritol tetranitrate reductase from Enterobacter cloacae PB2 in complex with 1,4,5,6-tetrahydro-NAD ; stop_ _Original_release_date 2018-05-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Nonequivalence of Second Sphere "Noncatalytic" Residues in Pentaerythritol Tetranitrate Reductase in Relation to Local Dynamics Linked to H-Transfer in Reactions with NADH and NADPH Coenzymes ; _Citation_status published _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 Iorgu Andreea I. . 2 Baxter Nicola J. . 3 Cliff Matthew J. . 4 Levy Colin J. . 5 Waltho Jonathan P. . 6 Hay Sam . . 7 Scrutton Nigel S. . stop_ _Journal_abbreviation 'ACS Catal.' _Journal_volume 8 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11589 _Page_last 11599 _Year 2018 _Details . loop_ _Keyword 1,4,5,6-tetrahydro-NADP 'Flavin mononucleotide' Flavoenzyme 'Pentaerythritol tetranitrate reductase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PETNR:FMNox:NADPH4 _Enzyme_commission_number 1.6.99.1 loop_ _Mol_system_component_name _Mol_label PETNR $PETNR FMN $entity_FMN stop_ _System_molecular_weight 40561.89 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; oxidoreductase. The FMN cofactor is oxidised in the PETNR:FMNox complex. Enzyme cofactor in reduction oxidation reactions. NADPH/NADP+ is a reducing/oxidising agent. NADPH4 is a unreactive analogue of NADPH. The related compound is tetrahydro-NAD (NADH4) in PubChem: https://pubchem.ncbi.nlm.nih.gov/compound/169266 The difference is the 2'-phosphate group on the ribose ring of the adenosine group. ; save_ ######################## # Monomeric polymers # ######################## save_PETNR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PETNR _Molecular_mass 39358.13 _Mol_thiol_state 'all free' loop_ _Biological_function oxidoreductase stop_ _Details 'Recombinant PETNR is expressed and purified as a tight non-covalently bound PETNR:FMNox complex' ############################## # Polymer residue sequence # ############################## _Residue_count 364 _Mol_residue_sequence ; SAEKLFTPLKVGAVTAPNRV FMAPLTRLRSIEPGDIPTPL MGEYYRQRASAGLIISEATQ ISAQAKGYAGAPGLHSPEQI AAWKKITAGVHAEDGRIAVQ LWHTGRISHSSIQPGGQAPV SASALNANTRTSLRDENGNA IRVDTTTPRALELDEIPGIV NDFRQAVANAREAGFDLVEL HSAHGYLLHQFLSPSSNQRT DQYGGSVENRARLVLEVVDA VCNEWSADRIGIRVSPIGTF QNVDNGPNEEADALYLIEEL AKRGIAYLHMSETDLAGGKP YSEAFRQKVRERFHGVIIGA GAYTAEKAEDLIGKGLIDAV AFGRDYIANPDLVARLQKKA ELNPQRPESFYGGGAEGYTD YPSL ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 GLU 4 LYS 5 LEU 6 PHE 7 THR 8 PRO 9 LEU 10 LYS 11 VAL 12 GLY 13 ALA 14 VAL 15 THR 16 ALA 17 PRO 18 ASN 19 ARG 20 VAL 21 PHE 22 MET 23 ALA 24 PRO 25 LEU 26 THR 27 ARG 28 LEU 29 ARG 30 SER 31 ILE 32 GLU 33 PRO 34 GLY 35 ASP 36 ILE 37 PRO 38 THR 39 PRO 40 LEU 41 MET 42 GLY 43 GLU 44 TYR 45 TYR 46 ARG 47 GLN 48 ARG 49 ALA 50 SER 51 ALA 52 GLY 53 LEU 54 ILE 55 ILE 56 SER 57 GLU 58 ALA 59 THR 60 GLN 61 ILE 62 SER 63 ALA 64 GLN 65 ALA 66 LYS 67 GLY 68 TYR 69 ALA 70 GLY 71 ALA 72 PRO 73 GLY 74 LEU 75 HIS 76 SER 77 PRO 78 GLU 79 GLN 80 ILE 81 ALA 82 ALA 83 TRP 84 LYS 85 LYS 86 ILE 87 THR 88 ALA 89 GLY 90 VAL 91 HIS 92 ALA 93 GLU 94 ASP 95 GLY 96 ARG 97 ILE 98 ALA 99 VAL 100 GLN 101 LEU 102 TRP 103 HIS 104 THR 105 GLY 106 ARG 107 ILE 108 SER 109 HIS 110 SER 111 SER 112 ILE 113 GLN 114 PRO 115 GLY 116 GLY 117 GLN 118 ALA 119 PRO 120 VAL 121 SER 122 ALA 123 SER 124 ALA 125 LEU 126 ASN 127 ALA 128 ASN 129 THR 130 ARG 131 THR 132 SER 133 LEU 134 ARG 135 ASP 136 GLU 137 ASN 138 GLY 139 ASN 140 ALA 141 ILE 142 ARG 143 VAL 144 ASP 145 THR 146 THR 147 THR 148 PRO 149 ARG 150 ALA 151 LEU 152 GLU 153 LEU 154 ASP 155 GLU 156 ILE 157 PRO 158 GLY 159 ILE 160 VAL 161 ASN 162 ASP 163 PHE 164 ARG 165 GLN 166 ALA 167 VAL 168 ALA 169 ASN 170 ALA 171 ARG 172 GLU 173 ALA 174 GLY 175 PHE 176 ASP 177 LEU 178 VAL 179 GLU 180 LEU 181 HIS 182 SER 183 ALA 184 HIS 185 GLY 186 TYR 187 LEU 188 LEU 189 HIS 190 GLN 191 PHE 192 LEU 193 SER 194 PRO 195 SER 196 SER 197 ASN 198 GLN 199 ARG 200 THR 201 ASP 202 GLN 203 TYR 204 GLY 205 GLY 206 SER 207 VAL 208 GLU 209 ASN 210 ARG 211 ALA 212 ARG 213 LEU 214 VAL 215 LEU 216 GLU 217 VAL 218 VAL 219 ASP 220 ALA 221 VAL 222 CYS 223 ASN 224 GLU 225 TRP 226 SER 227 ALA 228 ASP 229 ARG 230 ILE 231 GLY 232 ILE 233 ARG 234 VAL 235 SER 236 PRO 237 ILE 238 GLY 239 THR 240 PHE 241 GLN 242 ASN 243 VAL 244 ASP 245 ASN 246 GLY 247 PRO 248 ASN 249 GLU 250 GLU 251 ALA 252 ASP 253 ALA 254 LEU 255 TYR 256 LEU 257 ILE 258 GLU 259 GLU 260 LEU 261 ALA 262 LYS 263 ARG 264 GLY 265 ILE 266 ALA 267 TYR 268 LEU 269 HIS 270 MET 271 SER 272 GLU 273 THR 274 ASP 275 LEU 276 ALA 277 GLY 278 GLY 279 LYS 280 PRO 281 TYR 282 SER 283 GLU 284 ALA 285 PHE 286 ARG 287 GLN 288 LYS 289 VAL 290 ARG 291 GLU 292 ARG 293 PHE 294 HIS 295 GLY 296 VAL 297 ILE 298 ILE 299 GLY 300 ALA 301 GLY 302 ALA 303 TYR 304 THR 305 ALA 306 GLU 307 LYS 308 ALA 309 GLU 310 ASP 311 LEU 312 ILE 313 GLY 314 LYS 315 GLY 316 LEU 317 ILE 318 ASP 319 ALA 320 VAL 321 ALA 322 PHE 323 GLY 324 ARG 325 ASP 326 TYR 327 ILE 328 ALA 329 ASN 330 PRO 331 ASP 332 LEU 333 VAL 334 ALA 335 ARG 336 LEU 337 GLN 338 LYS 339 LYS 340 ALA 341 GLU 342 LEU 343 ASN 344 PRO 345 GLN 346 ARG 347 PRO 348 GLU 349 SER 350 PHE 351 TYR 352 GLY 353 GLY 354 GLY 355 ALA 356 GLU 357 GLY 358 TYR 359 THR 360 ASP 361 TYR 362 PRO 363 SER 364 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 5LGX 'pentaerythritol tetranitrate reductase (PETNR)' . . . . . PDB 3P62 'pentaerythritol tetranitrate reductase (PETNR)' . . . . . BMRB 27224 'pentaerythritol tetranitrate reductase (PETNR)' . . . . . PDB 3KFT 'pentaerythritol tetranitrate reductase (PETNR) in complex with 1,4,5,6-tetrahydro-nicotinamide-adenine-dinucleotide' . . . . . stop_ save_ ############# # Ligands # ############# save_FMN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_FMN (FLAVIN MONONUCLEOTIDE)" _BMRB_code FMN _PDB_code FMN _Molecular_mass 456.344 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . 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 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4A C4A C . 0 . ? N5 N5 N . 0 . ? C5A C5A C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C7M C7M C . 0 . ? C8 C8 C . 0 . ? C8M C8M C . 0 . ? C9 C9 C . 0 . ? C9A C9A C . 0 . ? N10 N10 N . 0 . ? C10 C10 C . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? HN3 HN3 H . 0 . ? H6 H6 H . 0 . ? HM71 HM71 H . 0 . ? HM72 HM72 H . 0 . ? HM73 HM73 H . 0 . ? HM81 HM81 H . 0 . ? HM82 HM82 H . 0 . ? HM83 HM83 H . 0 . ? H9 H9 H . 0 . ? H1'1 H1'1 H . 0 . ? H1'2 H1'2 H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? HO4' HO4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 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 ? ? DOUB N1 C10 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C4A ? ? DOUB C4A N5 ? ? SING C4A C10 ? ? SING N5 C5A ? ? DOUB C5A C6 ? ? SING C5A C9A ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING C7 C7M ? ? DOUB C7 C8 ? ? SING C7M HM71 ? ? SING C7M HM72 ? ? SING C7M HM73 ? ? SING C8 C8M ? ? SING C8 C9 ? ? SING C8M HM81 ? ? SING C8M HM82 ? ? SING C8M HM83 ? ? DOUB C9 C9A ? ? SING C9 H9 ? ? SING C9A N10 ? ? SING N10 C10 ? ? SING N10 C1' ? ? SING C1' C2' ? ? SING C1' H1'1 ? ? SING C1' H1'2 ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' HO4' ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? 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 _Strain $PETNR 'Enterobacter cloacae' 550 Bacteria . Enterobacter cloacae PB2 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 _Details $PETNR 'recombinant technology' . Escherichia coli JM109 'pBlueScript II SK(+)' 'Recombinant PETNR is expressed and purified as a tight non-covalently bound PETNR:FMNox complex' 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 _Isotopic_labeling $PETNR 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'potassium phosphate' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' TSP 0.5 '% v/v' [U-2H] D2O 10 '% v/v' '[U-100% 2H]' H2O 90 '% v/v' 'natural abundance' NADPH4 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 ; TROSY offset: amide protons; TROSY offset: amide nitrogens; 2H isotope effect: backbone CA; 2H isotope effect: backbone CB. ; loop_ _Software_label $TOPSPIN $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N TROSY' '3D TROSY-HNCA' '3D TROSY-HNCACB' '3D TROSY-HN(CO)CACB' '3D TROSY-HN(CA)CO' '3D TROSY-HNCO' 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 PETNR _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 2 2 ALA C C 177.18 0.050 1 2 2 2 ALA CA C 52.16 0.050 1 3 2 2 ALA CB C 18.22 0.050 1 4 3 3 GLU H H 8.52 0.005 1 5 3 3 GLU C C 178.19 0.050 1 6 3 3 GLU CA C 57.17 0.050 1 7 3 3 GLU CB C 29.05 0.050 1 8 3 3 GLU N N 120.71 0.050 1 9 4 4 LYS H H 11.18 0.005 1 10 4 4 LYS C C 179.86 0.050 1 11 4 4 LYS CA C 57.54 0.050 1 12 4 4 LYS CB C 32.32 0.050 1 13 4 4 LYS N N 128.73 0.050 1 14 5 5 LEU H H 9.37 0.005 1 15 5 5 LEU C C 175.72 0.050 1 16 5 5 LEU CA C 56.99 0.050 1 17 5 5 LEU CB C 41.30 0.050 1 18 5 5 LEU N N 121.18 0.050 1 19 6 6 PHE H H 7.25 0.005 1 20 6 6 PHE C C 174.47 0.050 1 21 6 6 PHE CA C 55.40 0.050 1 22 6 6 PHE CB C 37.13 0.050 1 23 6 6 PHE N N 115.14 0.050 1 24 7 7 THR H H 7.19 0.005 1 25 7 7 THR C C 172.05 0.050 1 26 7 7 THR CA C 58.13 0.050 1 27 7 7 THR CB C 70.27 0.050 1 28 7 7 THR N N 111.27 0.050 1 29 8 8 PRO C C 176.64 0.050 1 30 8 8 PRO CA C 62.37 0.050 1 31 8 8 PRO CB C 32.74 0.050 1 32 9 9 LEU H H 8.79 0.005 1 33 9 9 LEU C C 174.23 0.050 1 34 9 9 LEU CA C 53.54 0.050 1 35 9 9 LEU CB C 46.43 0.050 1 36 9 9 LEU N N 121.58 0.050 1 37 10 10 LYS H H 8.69 0.005 1 38 10 10 LYS C C 175.17 0.050 1 39 10 10 LYS CA C 56.59 0.050 1 40 10 10 LYS CB C 31.46 0.050 1 41 10 10 LYS N N 129.65 0.050 1 42 11 11 VAL H H 9.25 0.005 1 43 11 11 VAL C C 174.00 0.050 1 44 11 11 VAL CA C 59.57 0.050 1 45 11 11 VAL CB C 30.59 0.050 1 46 11 11 VAL N N 131.10 0.050 1 47 12 12 GLY H H 8.69 0.005 1 48 12 12 GLY C C 175.09 0.050 1 49 12 12 GLY CA C 46.28 0.050 1 50 12 12 GLY N N 112.40 0.050 1 51 13 13 ALA H H 7.96 0.005 1 52 13 13 ALA C C 177.54 0.050 1 53 13 13 ALA CA C 52.88 0.050 1 54 13 13 ALA CB C 18.66 0.050 1 55 13 13 ALA N N 128.73 0.050 1 56 14 14 VAL H H 7.82 0.005 1 57 14 14 VAL C C 173.86 0.050 1 58 14 14 VAL CA C 59.40 0.050 1 59 14 14 VAL CB C 33.87 0.050 1 60 14 14 VAL N N 114.52 0.050 1 61 15 15 THR H H 8.65 0.005 1 62 15 15 THR C C 173.49 0.050 1 63 15 15 THR CA C 61.94 0.050 1 64 15 15 THR CB C 68.82 0.050 1 65 15 15 THR N N 119.89 0.050 1 66 16 16 ALA H H 9.17 0.005 1 67 16 16 ALA C C 176.75 0.050 1 68 16 16 ALA CA C 48.26 0.050 1 69 16 16 ALA CB C 19.71 0.050 1 70 16 16 ALA N N 132.73 0.050 1 71 17 17 PRO C C 174.59 0.050 1 72 17 17 PRO CA C 63.37 0.050 1 73 17 17 PRO CB C 31.22 0.050 1 74 18 18 ASN H H 7.36 0.005 1 75 18 18 ASN C C 173.09 0.050 1 76 18 18 ASN CA C 51.88 0.050 1 77 18 18 ASN CB C 39.85 0.050 1 78 18 18 ASN N N 110.81 0.050 1 79 19 19 ARG H H 8.04 0.005 1 80 19 19 ARG C C 172.68 0.050 1 81 19 19 ARG CA C 54.63 0.050 1 82 19 19 ARG CB C 28.27 0.050 1 83 19 19 ARG N N 114.95 0.050 1 84 20 20 VAL H H 8.77 0.005 1 85 20 20 VAL C C 173.67 0.050 1 86 20 20 VAL CA C 61.66 0.050 1 87 20 20 VAL CB C 29.66 0.050 1 88 20 20 VAL N N 120.63 0.050 1 89 21 21 PHE H H 9.35 0.005 1 90 21 21 PHE C C 174.85 0.050 1 91 21 21 PHE CA C 52.09 0.050 1 92 21 21 PHE CB C 36.39 0.050 1 93 21 21 PHE N N 125.65 0.050 1 94 22 22 MET H H 8.41 0.005 1 95 22 22 MET C C 173.77 0.050 1 96 22 22 MET CA C 54.44 0.050 1 97 22 22 MET CB C 32.37 0.050 1 98 22 22 MET N N 122.96 0.050 1 99 23 23 ALA H H 7.86 0.005 1 100 23 23 ALA C C 172.67 0.050 1 101 23 23 ALA CA C 49.92 0.050 1 102 23 23 ALA CB C 16.51 0.050 1 103 23 23 ALA N N 126.73 0.050 1 104 24 24 PRO C C 179.19 0.050 1 105 24 24 PRO CA C 61.78 0.050 1 106 24 24 PRO CB C 31.03 0.050 1 107 25 25 LEU H H 7.72 0.005 1 108 25 25 LEU C C 174.03 0.050 1 109 25 25 LEU CA C 52.04 0.050 1 110 25 25 LEU CB C 43.61 0.050 1 111 25 25 LEU N N 126.33 0.050 1 112 26 26 THR H H 10.72 0.005 1 113 26 26 THR C C 172.35 0.050 1 114 26 26 THR CA C 66.00 0.050 1 115 26 26 THR CB C 70.44 0.050 1 116 26 26 THR N N 127.37 0.050 1 117 27 27 ARG H H 7.88 0.005 1 118 27 27 ARG C C 178.16 0.050 1 119 27 27 ARG CA C 52.82 0.050 1 120 27 27 ARG N N 123.29 0.050 1 121 28 28 LEU H H 9.59 0.005 1 122 28 28 LEU C C 176.31 0.050 1 123 28 28 LEU CA C 54.38 0.050 1 124 28 28 LEU CB C 37.33 0.050 1 125 28 28 LEU N N 117.71 0.050 1 126 29 29 ARG H H 9.01 0.005 1 127 29 29 ARG C C 176.99 0.050 1 128 29 29 ARG CA C 55.06 0.050 1 129 29 29 ARG CB C 30.38 0.050 1 130 29 29 ARG N N 119.59 0.050 1 131 30 30 SER H H 8.90 0.005 1 132 30 30 SER C C 173.88 0.050 1 133 30 30 SER CA C 60.01 0.050 1 134 30 30 SER CB C 61.93 0.050 1 135 30 30 SER N N 117.89 0.050 1 136 31 31 ILE H H 8.51 0.005 1 137 31 31 ILE C C 176.96 0.050 1 138 31 31 ILE CA C 61.58 0.050 1 139 31 31 ILE CB C 38.92 0.050 1 140 31 31 ILE N N 123.46 0.050 1 141 32 32 GLU H H 8.45 0.005 1 142 32 32 GLU C C 174.42 0.050 1 143 32 32 GLU CA C 53.29 0.050 1 144 32 32 GLU CB C 32.72 0.050 1 145 32 32 GLU N N 124.06 0.050 1 146 34 34 GLY C C 173.99 0.050 1 147 34 34 GLY CA C 44.49 0.050 1 148 35 35 ASP H H 8.03 0.005 1 149 35 35 ASP C C 174.50 0.050 1 150 35 35 ASP CA C 54.28 0.050 1 151 35 35 ASP CB C 38.82 0.050 1 152 35 35 ASP N N 126.27 0.050 1 153 36 36 ILE H H 8.07 0.005 1 154 36 36 ILE C C 174.68 0.050 1 155 36 36 ILE CA C 58.95 0.050 1 156 36 36 ILE CB C 40.39 0.050 1 157 36 36 ILE N N 119.39 0.050 1 158 37 37 PRO C C 175.12 0.050 1 159 37 37 PRO CA C 61.86 0.050 1 160 37 37 PRO CB C 32.05 0.050 1 161 38 38 THR H H 7.79 0.005 1 162 38 38 THR C C 174.43 0.050 1 163 38 38 THR CA C 59.12 0.050 1 164 38 38 THR CB C 69.75 0.050 1 165 38 38 THR N N 110.82 0.050 1 166 39 39 PRO C C 179.76 0.050 1 167 39 39 PRO CA C 64.14 0.050 1 168 39 39 PRO CB C 30.85 0.050 1 169 40 40 LEU H H 7.63 0.005 1 170 40 40 LEU C C 179.07 0.050 1 171 40 40 LEU CA C 57.83 0.050 1 172 40 40 LEU CB C 40.49 0.050 1 173 40 40 LEU N N 121.62 0.050 1 174 41 41 MET H H 7.81 0.005 1 175 41 41 MET C C 179.06 0.050 1 176 41 41 MET CA C 57.88 0.050 1 177 41 41 MET CB C 32.14 0.050 1 178 41 41 MET N N 119.28 0.050 1 179 42 42 GLY H H 8.27 0.005 1 180 42 42 GLY C C 175.91 0.050 1 181 42 42 GLY CA C 49.32 0.050 1 182 42 42 GLY N N 105.31 0.050 1 183 43 43 GLU H H 8.08 0.005 1 184 43 43 GLU C C 177.40 0.050 1 185 43 43 GLU CA C 58.31 0.050 1 186 43 43 GLU CB C 28.11 0.050 1 187 43 43 GLU N N 125.72 0.050 1 188 44 44 TYR H H 7.87 0.005 1 189 44 44 TYR C C 178.24 0.050 1 190 44 44 TYR CA C 59.95 0.050 1 191 44 44 TYR CB C 36.47 0.050 1 192 44 44 TYR N N 122.51 0.050 1 193 45 45 TYR H H 8.19 0.005 1 194 45 45 TYR C C 177.95 0.050 1 195 45 45 TYR CA C 62.46 0.050 1 196 45 45 TYR CB C 36.98 0.050 1 197 45 45 TYR N N 117.65 0.050 1 198 46 46 ARG H H 8.24 0.005 1 199 46 46 ARG C C 179.70 0.050 1 200 46 46 ARG CA C 60.25 0.050 1 201 46 46 ARG CB C 28.69 0.050 1 202 46 46 ARG N N 120.21 0.050 1 203 47 47 GLN H H 8.27 0.005 1 204 47 47 GLN C C 177.72 0.050 1 205 47 47 GLN CA C 57.58 0.050 1 206 47 47 GLN CB C 28.73 0.050 1 207 47 47 GLN N N 116.69 0.050 1 208 48 48 ARG H H 7.01 0.005 1 209 48 48 ARG C C 175.16 0.050 1 210 48 48 ARG CA C 55.77 0.050 1 211 48 48 ARG CB C 28.87 0.050 1 212 48 48 ARG N N 117.91 0.050 1 213 49 49 ALA H H 7.15 0.005 1 214 49 49 ALA C C 177.01 0.050 1 215 49 49 ALA CA C 54.02 0.050 1 216 49 49 ALA CB C 18.78 0.050 1 217 49 49 ALA N N 118.83 0.050 1 218 50 50 SER H H 8.05 0.005 1 219 50 50 SER C C 174.97 0.050 1 220 50 50 SER CA C 58.54 0.050 1 221 50 50 SER CB C 62.95 0.050 1 222 50 50 SER N N 111.61 0.050 1 223 51 51 ALA H H 8.04 0.005 1 224 51 51 ALA C C 178.41 0.050 1 225 51 51 ALA CA C 53.38 0.050 1 226 51 51 ALA CB C 18.72 0.050 1 227 51 51 ALA N N 125.98 0.050 1 228 52 52 GLY H H 9.31 0.005 1 229 52 52 GLY C C 173.19 0.050 1 230 52 52 GLY CA C 48.24 0.050 1 231 52 52 GLY N N 115.25 0.050 1 232 53 53 LEU H H 6.30 0.005 1 233 53 53 LEU C C 174.50 0.050 1 234 53 53 LEU CA C 54.91 0.050 1 235 53 53 LEU CB C 42.57 0.050 1 236 53 53 LEU N N 117.27 0.050 1 237 54 54 ILE H H 8.21 0.005 1 238 54 54 ILE C C 173.73 0.050 1 239 54 54 ILE CA C 61.24 0.050 1 240 54 54 ILE CB C 39.47 0.050 1 241 54 54 ILE N N 126.73 0.050 1 242 55 55 ILE H H 8.08 0.005 1 243 55 55 ILE C C 175.33 0.050 1 244 55 55 ILE CA C 60.23 0.050 1 245 55 55 ILE CB C 36.38 0.050 1 246 55 55 ILE N N 130.36 0.050 1 247 56 56 SER H H 9.05 0.005 1 248 56 56 SER C C 170.56 0.050 1 249 56 56 SER CA C 59.44 0.050 1 250 56 56 SER CB C 64.33 0.050 1 251 56 56 SER N N 123.18 0.050 1 252 57 57 GLU H H 7.98 0.005 1 253 57 57 GLU C C 174.96 0.050 1 254 57 57 GLU CA C 54.92 0.050 1 255 57 57 GLU CB C 32.38 0.050 1 256 57 57 GLU N N 111.73 0.050 1 257 58 58 ALA H H 6.02 0.005 1 258 58 58 ALA C C 176.31 0.050 1 259 58 58 ALA CA C 53.64 0.050 1 260 58 58 ALA CB C 15.10 0.050 1 261 58 58 ALA N N 125.12 0.050 1 262 59 59 THR H H 8.56 0.005 1 263 59 59 THR C C 176.08 0.050 1 264 59 59 THR CA C 61.85 0.050 1 265 59 59 THR CB C 70.51 0.050 1 266 59 59 THR N N 119.40 0.050 1 267 60 60 GLN H H 9.73 0.005 1 268 60 60 GLN C C 178.21 0.050 1 269 60 60 GLN CA C 60.80 0.050 1 270 60 60 GLN CB C 31.91 0.050 1 271 60 60 GLN N N 125.42 0.050 1 272 61 61 ILE H H 6.97 0.005 1 273 61 61 ILE C C 172.61 0.050 1 274 61 61 ILE CA C 61.75 0.050 1 275 61 61 ILE CB C 37.48 0.050 1 276 61 61 ILE N N 110.35 0.050 1 277 62 62 SER H H 7.16 0.005 1 278 62 62 SER C C 172.55 0.050 1 279 62 62 SER CA C 56.01 0.050 1 280 62 62 SER CB C 63.97 0.050 1 281 62 62 SER N N 112.48 0.050 1 282 63 63 ALA H H 8.36 0.005 1 283 63 63 ALA C C 181.63 0.050 1 284 63 63 ALA CA C 54.49 0.050 1 285 63 63 ALA CB C 16.87 0.050 1 286 63 63 ALA N N 121.61 0.050 1 287 64 64 GLN H H 8.09 0.005 1 288 64 64 GLN C C 174.70 0.050 1 289 64 64 GLN CA C 57.07 0.050 1 290 64 64 GLN CB C 29.72 0.050 1 291 64 64 GLN N N 120.48 0.050 1 292 65 65 ALA H H 7.12 0.005 1 293 65 65 ALA C C 177.18 0.050 1 294 65 65 ALA CA C 51.13 0.050 1 295 65 65 ALA CB C 21.18 0.050 1 296 65 65 ALA N N 116.55 0.050 1 297 66 66 LYS H H 7.02 0.005 1 298 66 66 LYS C C 174.36 0.050 1 299 66 66 LYS CA C 58.20 0.050 1 300 66 66 LYS CB C 33.47 0.050 1 301 66 66 LYS N N 120.41 0.050 1 302 67 67 GLY H H 8.55 0.005 1 303 67 67 GLY C C 171.13 0.050 1 304 67 67 GLY CA C 45.42 0.050 1 305 67 67 GLY N N 114.16 0.050 1 306 68 68 TYR H H 7.40 0.005 1 307 68 68 TYR C C 176.17 0.050 1 308 68 68 TYR CA C 55.47 0.050 1 309 68 68 TYR CB C 41.66 0.050 1 310 68 68 TYR N N 117.80 0.050 1 311 69 69 ALA H H 8.70 0.005 1 312 69 69 ALA C C 177.17 0.050 1 313 69 69 ALA CA C 52.68 0.050 1 314 69 69 ALA CB C 19.43 0.050 1 315 69 69 ALA N N 125.28 0.050 1 316 70 70 GLY H H 8.50 0.005 1 317 70 70 GLY C C 175.18 0.050 1 318 70 70 GLY CA C 45.03 0.050 1 319 70 70 GLY N N 111.79 0.050 1 320 71 71 ALA H H 7.30 0.005 1 321 71 71 ALA C C 176.75 0.050 1 322 71 71 ALA CA C 49.24 0.050 1 323 71 71 ALA CB C 19.25 0.050 1 324 71 71 ALA N N 127.52 0.050 1 325 72 72 PRO C C 175.77 0.050 1 326 72 72 PRO CA C 63.18 0.050 1 327 72 72 PRO CB C 32.08 0.050 1 328 73 73 GLY H H 7.84 0.005 1 329 73 73 GLY C C 173.76 0.050 1 330 73 73 GLY CA C 44.38 0.050 1 331 73 73 GLY N N 102.21 0.050 1 332 74 74 LEU H H 8.10 0.005 1 333 74 74 LEU C C 174.52 0.050 1 334 74 74 LEU CA C 52.41 0.050 1 335 74 74 LEU CB C 42.73 0.050 1 336 74 74 LEU N N 120.43 0.050 1 337 75 75 HIS H H 9.14 0.005 1 338 75 75 HIS C C 174.57 0.050 1 339 75 75 HIS CA C 54.14 0.050 1 340 75 75 HIS CB C 29.73 0.050 1 341 75 75 HIS N N 115.16 0.050 1 342 76 76 SER H H 8.29 0.005 1 343 76 76 SER C C 172.77 0.050 1 344 76 76 SER CA C 54.80 0.050 1 345 76 76 SER CB C 64.38 0.050 1 346 76 76 SER N N 122.24 0.050 1 347 77 77 PRO C C 180.13 0.050 1 348 77 77 PRO CA C 65.13 0.050 1 349 77 77 PRO CB C 31.04 0.050 1 350 78 78 GLU H H 9.17 0.005 1 351 78 78 GLU C C 180.69 0.050 1 352 78 78 GLU CA C 59.71 0.050 1 353 78 78 GLU CB C 27.97 0.050 1 354 78 78 GLU N N 118.75 0.050 1 355 79 79 GLN H H 7.85 0.005 1 356 79 79 GLN C C 178.50 0.050 1 357 79 79 GLN CA C 58.98 0.050 1 358 79 79 GLN CB C 25.88 0.050 1 359 79 79 GLN N N 120.97 0.050 1 360 80 80 ILE H H 8.32 0.005 1 361 80 80 ILE C C 177.42 0.050 1 362 80 80 ILE CA C 66.37 0.050 1 363 80 80 ILE CB C 38.13 0.050 1 364 80 80 ILE N N 120.15 0.050 1 365 81 81 ALA H H 8.08 0.005 1 366 81 81 ALA C C 180.30 0.050 1 367 81 81 ALA CA C 54.71 0.050 1 368 81 81 ALA CB C 17.42 0.050 1 369 81 81 ALA N N 119.51 0.050 1 370 82 82 ALA H H 7.46 0.005 1 371 82 82 ALA C C 181.93 0.050 1 372 82 82 ALA CA C 54.54 0.050 1 373 82 82 ALA CB C 18.84 0.050 1 374 82 82 ALA N N 120.55 0.050 1 375 83 83 TRP H H 9.05 0.005 1 376 83 83 TRP C C 178.81 0.050 1 377 83 83 TRP CA C 60.21 0.050 1 378 83 83 TRP CB C 29.57 0.050 1 379 83 83 TRP N N 120.10 0.050 1 380 84 84 LYS H H 8.67 0.005 1 381 84 84 LYS C C 179.34 0.050 1 382 84 84 LYS CA C 58.67 0.050 1 383 84 84 LYS CB C 32.23 0.050 1 384 84 84 LYS N N 120.73 0.050 1 385 85 85 LYS H H 6.94 0.005 1 386 85 85 LYS C C 180.16 0.050 1 387 85 85 LYS CA C 58.61 0.050 1 388 85 85 LYS CB C 31.70 0.050 1 389 85 85 LYS N N 115.91 0.050 1 390 86 86 ILE H H 7.36 0.005 1 391 86 86 ILE C C 179.59 0.050 1 392 86 86 ILE CA C 64.92 0.050 1 393 86 86 ILE CB C 36.84 0.050 1 394 86 86 ILE N N 121.65 0.050 1 395 87 87 THR H H 9.34 0.005 1 396 87 87 THR C C 177.35 0.050 1 397 87 87 THR CA C 65.07 0.050 1 398 87 87 THR CB C 66.90 0.050 1 399 87 87 THR N N 115.14 0.050 1 400 88 88 ALA H H 7.98 0.005 1 401 88 88 ALA C C 181.55 0.050 1 402 88 88 ALA CA C 55.05 0.050 1 403 88 88 ALA CB C 17.19 0.050 1 404 88 88 ALA N N 125.01 0.050 1 405 89 89 GLY H H 7.66 0.005 1 406 89 89 GLY C C 175.95 0.050 1 407 89 89 GLY CA C 46.55 0.050 1 408 89 89 GLY N N 107.19 0.050 1 409 90 90 VAL H H 7.40 0.005 1 410 90 90 VAL C C 179.50 0.050 1 411 90 90 VAL CA C 66.34 0.050 1 412 90 90 VAL CB C 30.69 0.050 1 413 90 90 VAL N N 120.90 0.050 1 414 91 91 HIS H H 8.53 0.005 1 415 91 91 HIS C C 178.52 0.050 1 416 91 91 HIS CA C 57.85 0.050 1 417 91 91 HIS CB C 27.52 0.050 1 418 91 91 HIS N N 120.02 0.050 1 419 92 92 ALA H H 8.49 0.005 1 420 92 92 ALA C C 178.56 0.050 1 421 92 92 ALA CA C 54.30 0.050 1 422 92 92 ALA CB C 17.06 0.050 1 423 92 92 ALA N N 125.33 0.050 1 424 93 93 GLU H H 6.92 0.005 1 425 93 93 GLU C C 175.35 0.050 1 426 93 93 GLU CA C 54.05 0.050 1 427 93 93 GLU CB C 28.65 0.050 1 428 93 93 GLU N N 116.81 0.050 1 429 94 94 ASP H H 8.10 0.005 1 430 94 94 ASP C C 175.21 0.050 1 431 94 94 ASP CA C 55.27 0.050 1 432 94 94 ASP CB C 38.98 0.050 1 433 94 94 ASP N N 116.54 0.050 1 434 95 95 GLY H H 8.00 0.005 1 435 95 95 GLY C C 174.10 0.050 1 436 95 95 GLY CA C 44.30 0.050 1 437 95 95 GLY N N 103.71 0.050 1 438 96 96 ARG H H 9.19 0.005 1 439 96 96 ARG C C 174.08 0.050 1 440 96 96 ARG CA C 55.15 0.050 1 441 96 96 ARG CB C 33.68 0.050 1 442 96 96 ARG N N 118.73 0.050 1 443 97 97 ILE H H 9.87 0.005 1 444 97 97 ILE C C 171.54 0.050 1 445 97 97 ILE CA C 57.61 0.050 1 446 97 97 ILE CB C 41.76 0.050 1 447 97 97 ILE N N 120.24 0.050 1 448 98 98 ALA H H 9.72 0.005 1 449 98 98 ALA C C 175.66 0.050 1 450 98 98 ALA CA C 47.97 0.050 1 451 98 98 ALA CB C 21.72 0.050 1 452 98 98 ALA N N 132.42 0.050 1 453 99 99 VAL H H 7.45 0.005 1 454 99 99 VAL C C 173.57 0.050 1 455 99 99 VAL CA C 55.31 0.050 1 456 99 99 VAL CB C 29.57 0.050 1 457 99 99 VAL N N 119.65 0.050 1 458 100 100 GLN H H 7.24 0.005 1 459 100 100 GLN C C 174.32 0.050 1 460 100 100 GLN CA C 53.66 0.050 1 461 100 100 GLN CB C 28.14 0.050 1 462 100 100 GLN N N 127.92 0.050 1 463 101 101 LEU H H 8.82 0.005 1 464 101 101 LEU C C 176.26 0.050 1 465 101 101 LEU CA C 52.54 0.050 1 466 101 101 LEU CB C 43.34 0.050 1 467 101 101 LEU N N 128.23 0.050 1 468 102 102 TRP H H 8.94 0.005 1 469 102 102 TRP C C 173.44 0.050 1 470 102 102 TRP CA C 52.70 0.050 1 471 102 102 TRP CB C 35.63 0.050 1 472 102 102 TRP N N 117.70 0.050 1 473 103 103 HIS H H 7.96 0.005 1 474 103 103 HIS C C 177.92 0.050 1 475 103 103 HIS CA C 56.20 0.050 1 476 103 103 HIS CB C 33.93 0.050 1 477 103 103 HIS N N 118.79 0.050 1 478 104 104 THR H H 8.37 0.005 1 479 104 104 THR C C 177.75 0.050 1 480 104 104 THR CA C 64.44 0.050 1 481 104 104 THR CB C 67.95 0.050 1 482 104 104 THR N N 120.11 0.050 1 483 105 105 GLY H H 11.02 0.005 1 484 105 105 GLY C C 174.57 0.050 1 485 105 105 GLY CA C 47.72 0.050 1 486 105 105 GLY N N 119.55 0.050 1 487 106 106 ARG H H 8.04 0.005 1 488 106 106 ARG C C 175.88 0.050 1 489 106 106 ARG CA C 56.95 0.050 1 490 106 106 ARG CB C 29.56 0.050 1 491 106 106 ARG N N 118.81 0.050 1 492 107 107 ILE H H 7.50 0.005 1 493 107 107 ILE C C 171.20 0.050 1 494 107 107 ILE CA C 61.29 0.050 1 495 107 107 ILE CB C 32.86 0.050 1 496 107 107 ILE N N 126.54 0.050 1 497 108 108 SER H H 6.82 0.005 1 498 108 108 SER C C 172.98 0.050 1 499 108 108 SER CA C 55.03 0.050 1 500 108 108 SER CB C 62.00 0.050 1 501 108 108 SER N N 111.77 0.050 1 502 109 109 HIS H H 8.04 0.005 1 503 109 109 HIS C C 175.68 0.050 1 504 109 109 HIS CA C 55.20 0.050 1 505 109 109 HIS CB C 36.11 0.050 1 506 109 109 HIS N N 120.15 0.050 1 507 110 110 SER H H 7.99 0.005 1 508 110 110 SER C C 175.65 0.050 1 509 110 110 SER CA C 60.59 0.050 1 510 110 110 SER CB C 61.87 0.050 1 511 110 110 SER N N 122.15 0.050 1 512 111 111 SER H H 9.29 0.005 1 513 111 111 SER C C 176.69 0.050 1 514 111 111 SER CA C 61.28 0.050 1 515 111 111 SER CB C 62.44 0.050 1 516 111 111 SER N N 117.95 0.050 1 517 112 112 ILE H H 7.46 0.005 1 518 112 112 ILE C C 175.56 0.050 1 519 112 112 ILE CA C 59.84 0.050 1 520 112 112 ILE CB C 37.16 0.050 1 521 112 112 ILE N N 113.84 0.050 1 522 113 113 GLN H H 7.31 0.005 1 523 113 113 GLN C C 175.19 0.050 1 524 113 113 GLN CA C 52.16 0.050 1 525 113 113 GLN CB C 30.99 0.050 1 526 113 113 GLN N N 121.48 0.050 1 527 115 115 GLY C C 175.27 0.050 1 528 115 115 GLY CA C 45.83 0.050 1 529 116 116 GLY H H 8.29 0.005 1 530 116 116 GLY C C 175.42 0.050 1 531 116 116 GLY CA C 45.77 0.050 1 532 116 116 GLY N N 110.08 0.050 1 533 117 117 GLN H H 6.61 0.005 1 534 117 117 GLN C C 173.12 0.050 1 535 117 117 GLN CA C 54.50 0.050 1 536 117 117 GLN CB C 30.08 0.050 1 537 117 117 GLN N N 117.05 0.050 1 538 118 118 ALA H H 7.73 0.005 1 539 118 118 ALA C C 176.43 0.050 1 540 118 118 ALA CA C 50.58 0.050 1 541 118 118 ALA CB C 16.33 0.050 1 542 118 118 ALA N N 118.76 0.050 1 543 119 119 PRO C C 173.39 0.050 1 544 119 119 PRO CA C 61.59 0.050 1 545 119 119 PRO CB C 32.35 0.050 1 546 120 120 VAL H H 8.65 0.005 1 547 120 120 VAL C C 175.01 0.050 1 548 120 120 VAL CA C 58.62 0.050 1 549 120 120 VAL CB C 33.67 0.050 1 550 120 120 VAL N N 109.90 0.050 1 551 121 121 SER H H 7.53 0.005 1 552 121 121 SER C C 173.99 0.050 1 553 121 121 SER CA C 55.28 0.050 1 554 121 121 SER CB C 63.16 0.050 1 555 121 121 SER N N 106.38 0.050 1 556 122 122 ALA H H 7.66 0.005 1 557 122 122 ALA C C 176.51 0.050 1 558 122 122 ALA CA C 55.01 0.050 1 559 122 122 ALA CB C 15.89 0.050 1 560 122 122 ALA N N 122.66 0.050 1 561 123 123 SER H H 6.91 0.005 1 562 123 123 SER C C 171.82 0.050 1 563 123 123 SER CA C 56.32 0.050 1 564 123 123 SER CB C 66.82 0.050 1 565 123 123 SER N N 105.94 0.050 1 566 124 124 ALA H H 8.86 0.005 1 567 124 124 ALA C C 175.43 0.050 1 568 124 124 ALA CA C 50.75 0.050 1 569 124 124 ALA CB C 16.00 0.050 1 570 124 124 ALA N N 128.09 0.050 1 571 125 125 LEU H H 7.09 0.005 1 572 125 125 LEU C C 174.97 0.050 1 573 125 125 LEU CA C 52.40 0.050 1 574 125 125 LEU CB C 43.15 0.050 1 575 125 125 LEU N N 123.11 0.050 1 576 126 126 ASN H H 8.84 0.005 1 577 126 126 ASN C C 174.65 0.050 1 578 126 126 ASN CA C 54.48 0.050 1 579 126 126 ASN CB C 38.38 0.050 1 580 126 126 ASN N N 121.99 0.050 1 581 127 127 ALA H H 8.68 0.005 1 582 127 127 ALA C C 177.91 0.050 1 583 127 127 ALA CA C 52.95 0.050 1 584 127 127 ALA CB C 19.05 0.050 1 585 127 127 ALA N N 126.48 0.050 1 586 128 128 ASN H H 10.03 0.005 1 587 128 128 ASN C C 173.67 0.050 1 588 128 128 ASN CA C 53.14 0.050 1 589 128 128 ASN CB C 36.12 0.050 1 590 128 128 ASN N N 114.43 0.050 1 591 129 129 THR H H 6.90 0.005 1 592 129 129 THR C C 172.38 0.050 1 593 129 129 THR CA C 58.57 0.050 1 594 129 129 THR CB C 69.24 0.050 1 595 129 129 THR N N 109.75 0.050 1 596 130 130 ARG H H 8.09 0.005 1 597 130 130 ARG C C 175.49 0.050 1 598 130 130 ARG CA C 54.64 0.050 1 599 130 130 ARG N N 120.20 0.050 1 600 131 131 THR H H 8.73 0.005 1 601 131 131 THR C C 173.41 0.050 1 602 131 131 THR CA C 57.32 0.050 1 603 131 131 THR CB C 69.01 0.050 1 604 131 131 THR N N 113.92 0.050 1 605 132 132 SER H H 7.97 0.005 1 606 132 132 SER C C 173.58 0.050 1 607 132 132 SER CA C 56.62 0.050 1 608 132 132 SER CB C 64.20 0.050 1 609 132 132 SER N N 118.75 0.050 1 610 133 133 LEU H H 8.67 0.005 1 611 133 133 LEU C C 177.17 0.050 1 612 133 133 LEU CA C 52.74 0.050 1 613 133 133 LEU CB C 41.14 0.050 1 614 133 133 LEU N N 124.81 0.050 1 615 134 134 ARG H H 8.59 0.005 1 616 134 134 ARG C C 176.58 0.050 1 617 134 134 ARG CA C 54.76 0.050 1 618 134 134 ARG CB C 33.97 0.050 1 619 134 134 ARG N N 122.54 0.050 1 620 135 135 ASP H H 8.76 0.005 1 621 135 135 ASP C C 178.24 0.050 1 622 135 135 ASP CA C 51.60 0.050 1 623 135 135 ASP CB C 40.39 0.050 1 624 135 135 ASP N N 121.74 0.050 1 625 136 136 GLU H H 9.15 0.005 1 626 136 136 GLU C C 176.90 0.050 1 627 136 136 GLU CA C 58.29 0.050 1 628 136 136 GLU CB C 27.92 0.050 1 629 136 136 GLU N N 118.00 0.050 1 630 137 137 ASN H H 8.08 0.005 1 631 137 137 ASN C C 175.14 0.050 1 632 137 137 ASN CA C 52.63 0.050 1 633 137 137 ASN CB C 39.36 0.050 1 634 137 137 ASN N N 117.10 0.050 1 635 138 138 GLY H H 8.09 0.005 1 636 138 138 GLY C C 173.99 0.050 1 637 138 138 GLY CA C 44.99 0.050 1 638 138 138 GLY N N 108.41 0.050 1 639 139 139 ASN H H 8.49 0.005 1 640 139 139 ASN C C 174.78 0.050 1 641 139 139 ASN CA C 52.46 0.050 1 642 139 139 ASN CB C 38.59 0.050 1 643 139 139 ASN N N 120.87 0.050 1 644 140 140 ALA H H 8.86 0.005 1 645 140 140 ALA C C 177.61 0.050 1 646 140 140 ALA CA C 52.33 0.050 1 647 140 140 ALA CB C 17.45 0.050 1 648 140 140 ALA N N 125.04 0.050 1 649 141 141 ILE H H 8.24 0.005 1 650 141 141 ILE C C 174.33 0.050 1 651 141 141 ILE CA C 59.06 0.050 1 652 141 141 ILE CB C 41.13 0.050 1 653 141 141 ILE N N 119.46 0.050 1 654 142 142 ARG H H 8.49 0.005 1 655 142 142 ARG C C 176.45 0.050 1 656 142 142 ARG CA C 53.33 0.050 1 657 142 142 ARG CB C 29.45 0.050 1 658 142 142 ARG N N 123.30 0.050 1 659 143 143 VAL H H 8.40 0.005 1 660 143 143 VAL C C 173.97 0.050 1 661 143 143 VAL CA C 59.41 0.050 1 662 143 143 VAL CB C 35.45 0.050 1 663 143 143 VAL N N 119.87 0.050 1 664 144 144 ASP H H 8.32 0.005 1 665 144 144 ASP C C 176.90 0.050 1 666 144 144 ASP CA C 55.34 0.050 1 667 144 144 ASP CB C 40.27 0.050 1 668 144 144 ASP N N 124.72 0.050 1 669 145 145 THR H H 7.98 0.005 1 670 145 145 THR C C 175.94 0.050 1 671 145 145 THR CA C 61.51 0.050 1 672 145 145 THR CB C 69.33 0.050 1 673 145 145 THR N N 111.88 0.050 1 674 146 146 THR H H 7.68 0.005 1 675 146 146 THR C C 175.34 0.050 1 676 146 146 THR CA C 61.69 0.050 1 677 146 146 THR CB C 69.14 0.050 1 678 146 146 THR N N 119.06 0.050 1 679 147 147 THR H H 9.03 0.005 1 680 147 147 THR C C 171.39 0.050 1 681 147 147 THR CA C 61.84 0.050 1 682 147 147 THR CB C 68.94 0.050 1 683 147 147 THR N N 127.39 0.050 1 684 148 148 PRO C C 175.46 0.050 1 685 148 148 PRO CA C 62.01 0.050 1 686 148 148 PRO CB C 32.37 0.050 1 687 149 149 ARG H H 8.84 0.005 1 688 149 149 ARG C C 174.76 0.050 1 689 149 149 ARG CA C 53.07 0.050 1 690 149 149 ARG CB C 31.77 0.050 1 691 149 149 ARG N N 117.58 0.050 1 692 150 150 ALA H H 8.44 0.005 1 693 150 150 ALA C C 178.60 0.050 1 694 150 150 ALA CA C 50.55 0.050 1 695 150 150 ALA CB C 18.31 0.050 1 696 150 150 ALA N N 124.91 0.050 1 697 151 151 LEU H H 8.12 0.005 1 698 151 151 LEU C C 178.76 0.050 1 699 151 151 LEU CA C 55.26 0.050 1 700 151 151 LEU CB C 42.34 0.050 1 701 151 151 LEU N N 122.74 0.050 1 702 152 152 GLU H H 9.93 0.005 1 703 152 152 GLU C C 178.69 0.050 1 704 152 152 GLU CA C 54.77 0.050 1 705 152 152 GLU CB C 28.93 0.050 1 706 152 152 GLU N N 126.17 0.050 1 707 153 153 LEU H H 9.23 0.005 1 708 153 153 LEU C C 180.27 0.050 1 709 153 153 LEU CA C 58.39 0.050 1 710 153 153 LEU CB C 40.73 0.050 1 711 153 153 LEU N N 124.64 0.050 1 712 154 154 ASP H H 8.53 0.005 1 713 154 154 ASP C C 177.61 0.050 1 714 154 154 ASP CA C 55.26 0.050 1 715 154 154 ASP CB C 39.35 0.050 1 716 154 154 ASP N N 114.53 0.050 1 717 155 155 GLU H H 7.86 0.005 1 718 155 155 GLU C C 178.65 0.050 1 719 155 155 GLU CA C 56.72 0.050 1 720 155 155 GLU CB C 31.82 0.050 1 721 155 155 GLU N N 117.36 0.050 1 722 156 156 ILE H H 7.42 0.005 1 723 156 156 ILE C C 174.85 0.050 1 724 156 156 ILE CA C 66.53 0.050 1 725 156 156 ILE CB C 33.78 0.050 1 726 156 156 ILE N N 122.67 0.050 1 727 157 157 PRO C C 179.23 0.050 1 728 157 157 PRO CA C 65.42 0.050 1 729 157 157 PRO CB C 29.75 0.050 1 730 158 158 GLY H H 7.60 0.005 1 731 158 158 GLY C C 175.68 0.050 1 732 158 158 GLY CA C 46.61 0.050 1 733 158 158 GLY N N 106.68 0.050 1 734 159 159 ILE H H 7.43 0.005 1 735 159 159 ILE C C 178.85 0.050 1 736 159 159 ILE CA C 62.46 0.050 1 737 159 159 ILE CB C 35.07 0.050 1 738 159 159 ILE N N 123.08 0.050 1 739 160 160 VAL H H 7.63 0.005 1 740 160 160 VAL C C 178.26 0.050 1 741 160 160 VAL CA C 67.45 0.050 1 742 160 160 VAL CB C 30.47 0.050 1 743 160 160 VAL N N 120.19 0.050 1 744 161 161 ASN H H 8.40 0.005 1 745 161 161 ASN C C 176.96 0.050 1 746 161 161 ASN CA C 56.15 0.050 1 747 161 161 ASN CB C 38.28 0.050 1 748 161 161 ASN N N 116.90 0.050 1 749 162 162 ASP H H 8.47 0.005 1 750 162 162 ASP C C 179.74 0.050 1 751 162 162 ASP CA C 57.61 0.050 1 752 162 162 ASP CB C 39.03 0.050 1 753 162 162 ASP N N 122.33 0.050 1 754 163 163 PHE H H 8.21 0.005 1 755 163 163 PHE C C 177.38 0.050 1 756 163 163 PHE CA C 63.56 0.050 1 757 163 163 PHE CB C 39.25 0.050 1 758 163 163 PHE N N 120.62 0.050 1 759 164 164 ARG H H 8.45 0.005 1 760 164 164 ARG C C 178.03 0.050 1 761 164 164 ARG CA C 60.75 0.050 1 762 164 164 ARG CB C 28.69 0.050 1 763 164 164 ARG N N 119.16 0.050 1 764 165 165 GLN H H 9.17 0.005 1 765 165 165 GLN C C 178.04 0.050 1 766 165 165 GLN CA C 57.29 0.050 1 767 165 165 GLN CB C 27.95 0.050 1 768 165 165 GLN N N 118.98 0.050 1 769 166 166 ALA H H 8.29 0.005 1 770 166 166 ALA C C 179.49 0.050 1 771 166 166 ALA CA C 55.09 0.050 1 772 166 166 ALA CB C 18.37 0.050 1 773 166 166 ALA N N 122.18 0.050 1 774 167 167 VAL H H 7.98 0.005 1 775 167 167 VAL C C 177.16 0.050 1 776 167 167 VAL CA C 67.20 0.050 1 777 167 167 VAL CB C 29.80 0.050 1 778 167 167 VAL N N 119.93 0.050 1 779 168 168 ALA H H 7.88 0.005 1 780 168 168 ALA C C 181.32 0.050 1 781 168 168 ALA CA C 55.17 0.050 1 782 168 168 ALA CB C 16.25 0.050 1 783 168 168 ALA N N 124.30 0.050 1 784 169 169 ASN H H 8.73 0.005 1 785 169 169 ASN C C 176.94 0.050 1 786 169 169 ASN CA C 54.63 0.050 1 787 169 169 ASN CB C 36.49 0.050 1 788 169 169 ASN N N 119.32 0.050 1 789 170 170 ALA H H 8.67 0.005 1 790 170 170 ALA C C 178.90 0.050 1 791 170 170 ALA CA C 55.04 0.050 1 792 170 170 ALA CB C 18.25 0.050 1 793 170 170 ALA N N 125.35 0.050 1 794 171 171 ARG H H 7.63 0.005 1 795 171 171 ARG C C 180.93 0.050 1 796 171 171 ARG CA C 58.38 0.050 1 797 171 171 ARG CB C 27.76 0.050 1 798 171 171 ARG N N 120.12 0.050 1 799 172 172 GLU H H 7.79 0.005 1 800 172 172 GLU C C 177.87 0.050 1 801 172 172 GLU CA C 58.49 0.050 1 802 172 172 GLU CB C 28.18 0.050 1 803 172 172 GLU N N 122.74 0.050 1 804 173 173 ALA H H 8.53 0.005 1 805 173 173 ALA C C 175.68 0.050 1 806 173 173 ALA CA C 51.84 0.050 1 807 173 173 ALA CB C 18.49 0.050 1 808 173 173 ALA N N 118.74 0.050 1 809 174 174 GLY H H 7.48 0.005 1 810 174 174 GLY C C 174.85 0.050 1 811 174 174 GLY CA C 45.57 0.050 1 812 174 174 GLY N N 104.58 0.050 1 813 175 175 PHE H H 7.74 0.005 1 814 175 175 PHE C C 175.28 0.050 1 815 175 175 PHE CA C 60.59 0.050 1 816 175 175 PHE CB C 38.28 0.050 1 817 175 175 PHE N N 116.11 0.050 1 818 176 176 ASP H H 9.20 0.005 1 819 176 176 ASP C C 175.22 0.050 1 820 176 176 ASP CA C 56.69 0.050 1 821 176 176 ASP CB C 43.18 0.050 1 822 176 176 ASP N N 117.22 0.050 1 823 177 177 LEU H H 7.41 0.005 1 824 177 177 LEU C C 175.16 0.050 1 825 177 177 LEU CA C 52.76 0.050 1 826 177 177 LEU CB C 48.63 0.050 1 827 177 177 LEU N N 111.62 0.050 1 828 178 178 VAL H H 8.70 0.005 1 829 178 178 VAL C C 172.34 0.050 1 830 178 178 VAL CA C 59.88 0.050 1 831 178 178 VAL CB C 34.43 0.050 1 832 178 178 VAL N N 118.17 0.050 1 833 179 179 GLU H H 9.28 0.005 1 834 179 179 GLU C C 176.05 0.050 1 835 179 179 GLU CA C 53.78 0.050 1 836 179 179 GLU CB C 31.97 0.050 1 837 179 179 GLU N N 125.05 0.050 1 838 180 180 LEU H H 8.73 0.005 1 839 180 180 LEU C C 176.56 0.050 1 840 180 180 LEU CA C 53.86 0.050 1 841 180 180 LEU CB C 42.06 0.050 1 842 180 180 LEU N N 126.56 0.050 1 843 181 181 HIS H H 8.96 0.005 1 844 181 181 HIS C C 175.60 0.050 1 845 181 181 HIS CA C 55.23 0.050 1 846 181 181 HIS CB C 30.11 0.050 1 847 181 181 HIS N N 123.72 0.050 1 848 182 182 SER H H 8.58 0.005 1 849 182 182 SER C C 176.20 0.050 1 850 182 182 SER CA C 54.24 0.050 1 851 182 182 SER CB C 64.78 0.050 1 852 182 182 SER N N 127.83 0.050 1 853 183 183 ALA H H 8.36 0.005 1 854 183 183 ALA C C 177.54 0.050 1 855 183 183 ALA CA C 49.37 0.050 1 856 183 183 ALA CB C 22.64 0.050 1 857 183 183 ALA N N 124.14 0.050 1 858 184 184 HIS H H 8.40 0.005 1 859 184 184 HIS C C 171.43 0.050 1 860 184 184 HIS CA C 54.88 0.050 1 861 184 184 HIS CB C 28.36 0.050 1 862 184 184 HIS N N 113.01 0.050 1 863 185 185 GLY H H 11.79 0.005 1 864 185 185 GLY C C 176.81 0.050 1 865 185 185 GLY CA C 45.32 0.050 1 866 185 185 GLY N N 108.21 0.050 1 867 186 186 TYR H H 7.19 0.005 1 868 186 186 TYR C C 175.90 0.050 1 869 186 186 TYR CA C 60.87 0.050 1 870 186 186 TYR CB C 34.52 0.050 1 871 186 186 TYR N N 119.05 0.050 1 872 187 187 LEU H H 8.58 0.005 1 873 187 187 LEU C C 177.48 0.050 1 874 187 187 LEU CA C 60.51 0.050 1 875 187 187 LEU CB C 41.54 0.050 1 876 187 187 LEU N N 116.00 0.050 1 877 188 188 LEU H H 6.95 0.005 1 878 188 188 LEU C C 178.40 0.050 1 879 188 188 LEU CA C 58.28 0.050 1 880 188 188 LEU CB C 40.40 0.050 1 881 188 188 LEU N N 112.69 0.050 1 882 189 189 HIS H H 7.89 0.005 1 883 189 189 HIS C C 176.11 0.050 1 884 189 189 HIS CA C 56.74 0.050 1 885 189 189 HIS CB C 32.10 0.050 1 886 189 189 HIS N N 121.20 0.050 1 887 190 190 GLN H H 8.96 0.005 1 888 190 190 GLN C C 179.45 0.050 1 889 190 190 GLN CA C 56.54 0.050 1 890 190 190 GLN CB C 25.85 0.050 1 891 190 190 GLN N N 115.78 0.050 1 892 191 191 PHE H H 7.56 0.005 1 893 191 191 PHE C C 176.68 0.050 1 894 191 191 PHE CA C 60.19 0.050 1 895 191 191 PHE CB C 38.96 0.050 1 896 191 191 PHE N N 114.92 0.050 1 897 192 192 LEU H H 7.59 0.005 1 898 192 192 LEU C C 178.45 0.050 1 899 192 192 LEU CA C 57.61 0.050 1 900 192 192 LEU CB C 42.87 0.050 1 901 192 192 LEU N N 118.02 0.050 1 902 193 193 SER H H 7.83 0.005 1 903 193 193 SER C C 174.50 0.050 1 904 193 193 SER CA C 54.59 0.050 1 905 193 193 SER CB C 63.46 0.050 1 906 193 193 SER N N 113.44 0.050 1 907 194 194 PRO C C 176.60 0.050 1 908 194 194 PRO CA C 63.35 0.050 1 909 194 194 PRO CB C 30.76 0.050 1 910 195 195 SER H H 8.07 0.005 1 911 195 195 SER C C 175.04 0.050 1 912 195 195 SER CA C 59.72 0.050 1 913 195 195 SER CB C 62.59 0.050 1 914 195 195 SER N N 114.70 0.050 1 915 196 196 SER H H 7.23 0.005 1 916 196 196 SER C C 172.81 0.050 1 917 196 196 SER CA C 57.69 0.050 1 918 196 196 SER CB C 62.76 0.050 1 919 196 196 SER N N 113.09 0.050 1 920 197 197 ASN H H 7.50 0.005 1 921 197 197 ASN C C 175.41 0.050 1 922 197 197 ASN CA C 51.69 0.050 1 923 197 197 ASN CB C 37.16 0.050 1 924 197 197 ASN N N 121.53 0.050 1 925 198 198 GLN H H 8.50 0.005 1 926 198 198 GLN C C 176.88 0.050 1 927 198 198 GLN CA C 52.97 0.050 1 928 198 198 GLN CB C 27.14 0.050 1 929 198 198 GLN N N 123.60 0.050 1 930 199 199 ARG H H 8.64 0.005 1 931 199 199 ARG C C 177.75 0.050 1 932 199 199 ARG CA C 57.38 0.050 1 933 199 199 ARG CB C 32.44 0.050 1 934 199 199 ARG N N 121.05 0.050 1 935 200 200 THR H H 8.44 0.005 1 936 200 200 THR C C 174.50 0.050 1 937 200 200 THR CA C 59.67 0.050 1 938 200 200 THR CB C 68.11 0.050 1 939 200 200 THR N N 108.79 0.050 1 940 201 201 ASP H H 6.86 0.005 1 941 201 201 ASP C C 176.58 0.050 1 942 201 201 ASP CA C 51.73 0.050 1 943 201 201 ASP CB C 41.07 0.050 1 944 201 201 ASP N N 122.09 0.050 1 945 202 202 GLN H H 9.19 0.005 1 946 202 202 GLN C C 175.11 0.050 1 947 202 202 GLN CA C 57.18 0.050 1 948 202 202 GLN CB C 26.34 0.050 1 949 202 202 GLN N N 115.81 0.050 1 950 203 203 TYR H H 8.39 0.005 1 951 203 203 TYR C C 174.90 0.050 1 952 203 203 TYR CA C 58.54 0.050 1 953 203 203 TYR CB C 37.40 0.050 1 954 203 203 TYR N N 118.54 0.050 1 955 204 204 GLY H H 7.87 0.005 1 956 204 204 GLY C C 171.71 0.050 1 957 204 204 GLY CA C 44.34 0.050 1 958 204 204 GLY N N 105.38 0.050 1 959 205 205 GLY H H 8.61 0.005 1 960 205 205 GLY C C 173.88 0.050 1 961 205 205 GLY CA C 45.34 0.050 1 962 205 205 GLY N N 107.93 0.050 1 963 206 206 SER C C 174.58 0.050 1 964 206 206 SER CA C 56.63 0.050 1 965 206 206 SER CB C 64.32 0.050 1 966 207 207 VAL H H 9.06 0.005 1 967 207 207 VAL C C 175.55 0.050 1 968 207 207 VAL CA C 65.29 0.050 1 969 207 207 VAL CB C 30.22 0.050 1 970 207 207 VAL N N 123.64 0.050 1 971 208 208 GLU H H 8.40 0.005 1 972 208 208 GLU C C 178.75 0.050 1 973 208 208 GLU CA C 58.80 0.050 1 974 208 208 GLU CB C 27.60 0.050 1 975 208 208 GLU N N 121.38 0.050 1 976 209 209 ASN H H 7.28 0.005 1 977 209 209 ASN C C 177.83 0.050 1 978 209 209 ASN CA C 54.24 0.050 1 979 209 209 ASN CB C 36.91 0.050 1 980 209 209 ASN N N 119.99 0.050 1 981 210 210 ARG H H 8.56 0.005 1 982 210 210 ARG C C 179.38 0.050 1 983 210 210 ARG CA C 60.28 0.050 1 984 210 210 ARG CB C 29.16 0.050 1 985 210 210 ARG N N 121.01 0.050 1 986 211 211 ALA H H 8.44 0.005 1 987 211 211 ALA C C 176.48 0.050 1 988 211 211 ALA CA C 52.03 0.050 1 989 211 211 ALA CB C 17.92 0.050 1 990 211 211 ALA N N 120.02 0.050 1 991 212 212 ARG H H 7.23 0.005 1 992 212 212 ARG C C 179.00 0.050 1 993 212 212 ARG CA C 60.70 0.050 1 994 212 212 ARG CB C 29.93 0.050 1 995 212 212 ARG N N 121.14 0.050 1 996 213 213 LEU H H 9.59 0.005 1 997 213 213 LEU C C 178.18 0.050 1 998 213 213 LEU CA C 58.06 0.050 1 999 213 213 LEU CB C 39.96 0.050 1 1000 213 213 LEU N N 118.16 0.050 1 1001 214 214 VAL H H 7.31 0.005 1 1002 214 214 VAL C C 176.83 0.050 1 1003 214 214 VAL CA C 66.18 0.050 1 1004 214 214 VAL CB C 30.31 0.050 1 1005 214 214 VAL N N 116.02 0.050 1 1006 215 215 LEU H H 7.81 0.005 1 1007 215 215 LEU C C 178.24 0.050 1 1008 215 215 LEU CA C 57.40 0.050 1 1009 215 215 LEU CB C 39.07 0.050 1 1010 215 215 LEU N N 119.37 0.050 1 1011 216 216 GLU H H 8.49 0.005 1 1012 216 216 GLU C C 181.34 0.050 1 1013 216 216 GLU CA C 59.52 0.050 1 1014 216 216 GLU CB C 29.12 0.050 1 1015 216 216 GLU N N 120.68 0.050 1 1016 217 217 VAL H H 8.39 0.005 1 1017 217 217 VAL C C 177.37 0.050 1 1018 217 217 VAL CA C 67.13 0.050 1 1019 217 217 VAL CB C 30.10 0.050 1 1020 217 217 VAL N N 121.55 0.050 1 1021 218 218 VAL H H 8.64 0.005 1 1022 218 218 VAL C C 177.98 0.050 1 1023 218 218 VAL CA C 66.77 0.050 1 1024 218 218 VAL CB C 30.52 0.050 1 1025 218 218 VAL N N 119.94 0.050 1 1026 219 219 ASP H H 8.77 0.005 1 1027 219 219 ASP C C 178.93 0.050 1 1028 219 219 ASP CA C 57.83 0.050 1 1029 219 219 ASP CB C 39.01 0.050 1 1030 219 219 ASP N N 120.67 0.050 1 1031 220 220 ALA H H 8.03 0.005 1 1032 220 220 ALA C C 181.82 0.050 1 1033 220 220 ALA CA C 54.84 0.050 1 1034 220 220 ALA CB C 18.17 0.050 1 1035 220 220 ALA N N 122.23 0.050 1 1036 221 221 VAL H H 8.73 0.005 1 1037 221 221 VAL C C 178.20 0.050 1 1038 221 221 VAL CA C 64.80 0.050 1 1039 221 221 VAL CB C 30.46 0.050 1 1040 221 221 VAL N N 113.18 0.050 1 1041 222 222 CYS H H 8.32 0.005 1 1042 222 222 CYS C C 175.90 0.050 1 1043 222 222 CYS CA C 64.10 0.050 1 1044 222 222 CYS CB C 26.68 0.050 1 1045 222 222 CYS N N 121.01 0.050 1 1046 223 223 ASN H H 7.30 0.005 1 1047 223 223 ASN C C 176.32 0.050 1 1048 223 223 ASN CA C 55.08 0.050 1 1049 223 223 ASN CB C 38.70 0.050 1 1050 223 223 ASN N N 114.41 0.050 1 1051 224 224 GLU H H 7.65 0.005 1 1052 224 224 GLU C C 175.96 0.050 1 1053 224 224 GLU CA C 57.27 0.050 1 1054 224 224 GLU CB C 29.70 0.050 1 1055 224 224 GLU N N 119.10 0.050 1 1056 225 225 TRP H H 7.63 0.005 1 1057 225 225 TRP C C 172.11 0.050 1 1058 225 225 TRP CA C 53.62 0.050 1 1059 225 225 TRP CB C 29.93 0.050 1 1060 225 225 TRP N N 120.16 0.050 1 1061 226 226 SER H H 6.99 0.005 1 1062 226 226 SER C C 175.31 0.050 1 1063 226 226 SER CA C 57.11 0.050 1 1064 226 226 SER CB C 62.91 0.050 1 1065 226 226 SER N N 111.70 0.050 1 1066 227 227 ALA H H 9.21 0.005 1 1067 227 227 ALA C C 177.81 0.050 1 1068 227 227 ALA CA C 55.73 0.050 1 1069 227 227 ALA CB C 17.61 0.050 1 1070 227 227 ALA N N 129.85 0.050 1 1071 228 228 ASP H H 7.70 0.005 1 1072 228 228 ASP C C 175.13 0.050 1 1073 228 228 ASP CA C 54.20 0.050 1 1074 228 228 ASP CB C 38.53 0.050 1 1075 228 228 ASP N N 112.38 0.050 1 1076 229 229 ARG H H 7.31 0.005 1 1077 229 229 ARG C C 174.04 0.050 1 1078 229 229 ARG CA C 53.12 0.050 1 1079 229 229 ARG CB C 30.28 0.050 1 1080 229 229 ARG N N 116.79 0.050 1 1081 230 230 ILE H H 7.34 0.005 1 1082 230 230 ILE C C 173.98 0.050 1 1083 230 230 ILE CA C 57.50 0.050 1 1084 230 230 ILE CB C 36.69 0.050 1 1085 230 230 ILE N N 119.63 0.050 1 1086 231 231 GLY H H 9.04 0.005 1 1087 231 231 GLY C C 172.77 0.050 1 1088 231 231 GLY CA C 40.60 0.050 1 1089 231 231 GLY N N 112.81 0.050 1 1090 232 232 ILE H H 7.09 0.005 1 1091 232 232 ILE C C 170.57 0.050 1 1092 232 232 ILE CA C 58.55 0.050 1 1093 232 232 ILE CB C 41.27 0.050 1 1094 232 232 ILE N N 115.93 0.050 1 1095 233 233 ARG H H 8.76 0.005 1 1096 233 233 ARG C C 174.85 0.050 1 1097 233 233 ARG CA C 53.37 0.050 1 1098 233 233 ARG CB C 31.45 0.050 1 1099 233 233 ARG N N 129.07 0.050 1 1100 234 234 VAL H H 8.50 0.005 1 1101 234 234 VAL C C 173.73 0.050 1 1102 234 234 VAL CA C 58.11 0.050 1 1103 234 234 VAL CB C 34.12 0.050 1 1104 234 234 VAL N N 116.01 0.050 1 1105 235 235 SER H H 9.99 0.005 1 1106 235 235 SER C C 174.96 0.050 1 1107 235 235 SER CA C 52.46 0.050 1 1108 235 235 SER CB C 64.44 0.050 1 1109 235 235 SER N N 115.90 0.050 1 1110 236 236 PRO C C 174.41 0.050 1 1111 236 236 PRO CA C 63.93 0.050 1 1112 236 236 PRO CB C 32.32 0.050 1 1113 237 237 ILE H H 7.48 0.005 1 1114 237 237 ILE C C 176.74 0.050 1 1115 237 237 ILE CA C 57.56 0.050 1 1116 237 237 ILE CB C 37.72 0.050 1 1117 237 237 ILE N N 119.39 0.050 1 1118 238 238 GLY H H 9.96 0.005 1 1119 238 238 GLY C C 173.17 0.050 1 1120 238 238 GLY CA C 43.51 0.050 1 1121 238 238 GLY N N 118.16 0.050 1 1122 239 239 THR H H 8.05 0.005 1 1123 239 239 THR C C 173.42 0.050 1 1124 239 239 THR CA C 61.43 0.050 1 1125 239 239 THR CB C 69.53 0.050 1 1126 239 239 THR N N 115.35 0.050 1 1127 240 240 PHE H H 8.52 0.005 1 1128 240 240 PHE C C 174.38 0.050 1 1129 240 240 PHE CA C 56.21 0.050 1 1130 240 240 PHE CB C 42.33 0.050 1 1131 240 240 PHE N N 124.43 0.050 1 1132 241 241 GLN H H 9.44 0.005 1 1133 241 241 GLN C C 174.83 0.050 1 1134 241 241 GLN CA C 56.69 0.050 1 1135 241 241 GLN CB C 25.88 0.050 1 1136 241 241 GLN N N 122.10 0.050 1 1137 242 242 ASN H H 8.60 0.005 1 1138 242 242 ASN C C 174.29 0.050 1 1139 242 242 ASN CA C 54.04 0.050 1 1140 242 242 ASN CB C 37.36 0.050 1 1141 242 242 ASN N N 108.31 0.050 1 1142 243 243 VAL H H 8.11 0.005 1 1143 243 243 VAL C C 173.97 0.050 1 1144 243 243 VAL CA C 62.90 0.050 1 1145 243 243 VAL CB C 30.62 0.050 1 1146 243 243 VAL N N 122.92 0.050 1 1147 244 244 ASP H H 7.54 0.005 1 1148 244 244 ASP C C 176.33 0.050 1 1149 244 244 ASP CA C 52.00 0.050 1 1150 244 244 ASP CB C 41.83 0.050 1 1151 244 244 ASP N N 125.86 0.050 1 1152 245 245 ASN H H 8.67 0.005 1 1153 245 245 ASN C C 176.50 0.050 1 1154 245 245 ASN CA C 54.41 0.050 1 1155 245 245 ASN CB C 41.58 0.050 1 1156 245 245 ASN N N 120.02 0.050 1 1157 246 246 GLY H H 8.63 0.005 1 1158 246 246 GLY C C 172.30 0.050 1 1159 246 246 GLY CA C 45.02 0.050 1 1160 246 246 GLY N N 109.47 0.050 1 1161 247 247 PRO C C 177.26 0.050 1 1162 247 247 PRO CA C 63.74 0.050 1 1163 247 247 PRO CB C 31.02 0.050 1 1164 248 248 ASN H H 8.35 0.005 1 1165 248 248 ASN C C 175.98 0.050 1 1166 248 248 ASN CA C 51.18 0.050 1 1167 248 248 ASN CB C 38.43 0.050 1 1168 248 248 ASN N N 121.57 0.050 1 1169 249 249 GLU H H 6.99 0.005 1 1170 249 249 GLU C C 178.47 0.050 1 1171 249 249 GLU CA C 59.35 0.050 1 1172 249 249 GLU CB C 27.73 0.050 1 1173 249 249 GLU N N 115.90 0.050 1 1174 250 250 GLU H H 8.43 0.005 1 1175 250 250 GLU C C 177.30 0.050 1 1176 250 250 GLU CA C 60.47 0.050 1 1177 250 250 GLU CB C 28.43 0.050 1 1178 250 250 GLU N N 122.27 0.050 1 1179 251 251 ALA H H 8.35 0.005 1 1180 251 251 ALA C C 181.88 0.050 1 1181 251 251 ALA CA C 55.00 0.050 1 1182 251 251 ALA CB C 17.43 0.050 1 1183 251 251 ALA N N 122.60 0.050 1 1184 252 252 ASP H H 8.80 0.005 1 1185 252 252 ASP C C 179.47 0.050 1 1186 252 252 ASP CA C 57.21 0.050 1 1187 252 252 ASP CB C 38.82 0.050 1 1188 252 252 ASP N N 120.28 0.050 1 1189 253 253 ALA H H 8.18 0.005 1 1190 253 253 ALA C C 179.79 0.050 1 1191 253 253 ALA CA C 54.41 0.050 1 1192 253 253 ALA CB C 17.71 0.050 1 1193 253 253 ALA N N 124.61 0.050 1 1194 254 254 LEU H H 8.21 0.005 1 1195 254 254 LEU C C 179.02 0.050 1 1196 254 254 LEU CA C 57.75 0.050 1 1197 254 254 LEU CB C 39.19 0.050 1 1198 254 254 LEU N N 117.20 0.050 1 1199 255 255 TYR H H 7.82 0.005 1 1200 255 255 TYR C C 176.39 0.050 1 1201 255 255 TYR CA C 61.06 0.050 1 1202 255 255 TYR CB C 36.71 0.050 1 1203 255 255 TYR N N 120.39 0.050 1 1204 256 256 LEU H H 7.36 0.005 1 1205 256 256 LEU C C 178.62 0.050 1 1206 256 256 LEU CA C 57.52 0.050 1 1207 256 256 LEU CB C 40.09 0.050 1 1208 256 256 LEU N N 120.04 0.050 1 1209 257 257 ILE H H 8.65 0.005 1 1210 257 257 ILE C C 177.28 0.050 1 1211 257 257 ILE CA C 65.96 0.050 1 1212 257 257 ILE CB C 37.43 0.050 1 1213 257 257 ILE N N 118.32 0.050 1 1214 258 258 GLU H H 8.25 0.005 1 1215 258 258 GLU C C 179.95 0.050 1 1216 258 258 GLU CA C 59.36 0.050 1 1217 258 258 GLU CB C 28.65 0.050 1 1218 258 258 GLU N N 120.66 0.050 1 1219 259 259 GLU H H 7.74 0.005 1 1220 259 259 GLU C C 180.80 0.050 1 1221 259 259 GLU CA C 58.70 0.050 1 1222 259 259 GLU CB C 29.10 0.050 1 1223 259 259 GLU N N 118.82 0.050 1 1224 260 260 LEU H H 8.89 0.005 1 1225 260 260 LEU C C 179.74 0.050 1 1226 260 260 LEU CA C 57.72 0.050 1 1227 260 260 LEU CB C 40.80 0.050 1 1228 260 260 LEU N N 122.53 0.050 1 1229 261 261 ALA H H 8.58 0.005 1 1230 261 261 ALA C C 181.44 0.050 1 1231 261 261 ALA CA C 54.37 0.050 1 1232 261 261 ALA CB C 18.76 0.050 1 1233 261 261 ALA N N 121.17 0.050 1 1234 262 262 LYS H H 7.35 0.005 1 1235 262 262 LYS C C 177.88 0.050 1 1236 262 262 LYS CA C 58.40 0.050 1 1237 262 262 LYS CB C 31.79 0.050 1 1238 262 262 LYS N N 116.67 0.050 1 1239 263 263 ARG H H 7.32 0.005 1 1240 263 263 ARG C C 177.69 0.050 1 1241 263 263 ARG CA C 57.58 0.050 1 1242 263 263 ARG CB C 30.76 0.050 1 1243 263 263 ARG N N 116.87 0.050 1 1244 264 264 GLY H H 7.62 0.005 1 1245 264 264 GLY C C 174.66 0.050 1 1246 264 264 GLY CA C 46.71 0.050 1 1247 264 264 GLY N N 106.57 0.050 1 1248 265 265 ILE H H 6.15 0.005 1 1249 265 265 ILE C C 174.87 0.050 1 1250 265 265 ILE CA C 60.78 0.050 1 1251 265 265 ILE CB C 36.08 0.050 1 1252 265 265 ILE N N 107.45 0.050 1 1253 266 266 ALA H H 8.23 0.005 1 1254 266 266 ALA C C 179.47 0.050 1 1255 266 266 ALA CA C 54.85 0.050 1 1256 266 266 ALA CB C 17.81 0.050 1 1257 266 266 ALA N N 123.08 0.050 1 1258 267 267 TYR H H 7.03 0.005 1 1259 267 267 TYR C C 170.95 0.050 1 1260 267 267 TYR CA C 56.14 0.050 1 1261 267 267 TYR CB C 39.62 0.050 1 1262 267 267 TYR N N 105.93 0.050 1 1263 268 268 LEU H H 8.96 0.005 1 1264 268 268 LEU C C 173.06 0.050 1 1265 268 268 LEU CA C 52.71 0.050 1 1266 268 268 LEU CB C 44.06 0.050 1 1267 268 268 LEU N N 122.14 0.050 1 1268 269 269 HIS H H 9.34 0.005 1 1269 269 269 HIS C C 173.57 0.050 1 1270 269 269 HIS CA C 51.29 0.050 1 1271 269 269 HIS CB C 30.70 0.050 1 1272 269 269 HIS N N 129.78 0.050 1 1273 270 270 MET H H 9.40 0.005 1 1274 270 270 MET C C 172.85 0.050 1 1275 270 270 MET CA C 54.82 0.050 1 1276 270 270 MET CB C 32.04 0.050 1 1277 270 270 MET N N 125.82 0.050 1 1278 271 271 SER H H 8.35 0.005 1 1279 271 271 SER C C 172.82 0.050 1 1280 271 271 SER CA C 55.61 0.050 1 1281 271 271 SER CB C 60.89 0.050 1 1282 271 271 SER N N 117.88 0.050 1 1283 274 274 ASP H H 8.41 0.005 1 1284 274 274 ASP C C 176.67 0.050 1 1285 274 274 ASP CA C 53.00 0.050 1 1286 274 274 ASP CB C 40.86 0.050 1 1287 274 274 ASP N N 124.67 0.050 1 1288 276 276 ALA C C 178.70 0.050 1 1289 277 277 GLY H H 8.22 0.005 1 1290 277 277 GLY C C 174.90 0.050 1 1291 277 277 GLY CA C 44.90 0.050 1 1292 277 277 GLY N N 108.22 0.050 1 1293 278 278 GLY H H 8.05 0.005 1 1294 278 278 GLY C C 173.24 0.050 1 1295 278 278 GLY CA C 44.98 0.050 1 1296 278 278 GLY N N 109.03 0.050 1 1297 279 279 LYS H H 8.41 0.005 1 1298 279 279 LYS C C 174.11 0.050 1 1299 279 279 LYS CA C 53.69 0.050 1 1300 279 279 LYS CB C 32.19 0.050 1 1301 279 279 LYS N N 122.78 0.050 1 1302 280 280 PRO C C 177.34 0.050 1 1303 281 281 TYR H H 8.84 0.005 1 1304 281 281 TYR C C 177.20 0.050 1 1305 281 281 TYR CB C 36.42 0.050 1 1306 281 281 TYR N N 122.75 0.050 1 1307 282 282 SER H H 8.91 0.005 1 1308 282 282 SER C C 175.35 0.050 1 1309 282 282 SER CA C 56.45 0.050 1 1310 282 282 SER CB C 64.03 0.050 1 1311 282 282 SER N N 120.62 0.050 1 1312 283 283 GLU H H 9.12 0.005 1 1313 283 283 GLU C C 178.68 0.050 1 1314 283 283 GLU CA C 60.43 0.050 1 1315 283 283 GLU CB C 28.18 0.050 1 1316 283 283 GLU N N 124.50 0.050 1 1317 284 284 ALA H H 8.36 0.005 1 1318 284 284 ALA C C 180.50 0.050 1 1319 284 284 ALA CA C 54.58 0.050 1 1320 284 284 ALA CB C 17.35 0.050 1 1321 284 284 ALA N N 120.56 0.050 1 1322 285 285 PHE H H 8.21 0.005 1 1323 285 285 PHE C C 177.29 0.050 1 1324 285 285 PHE CA C 61.11 0.050 1 1325 285 285 PHE CB C 38.26 0.050 1 1326 285 285 PHE N N 121.01 0.050 1 1327 286 286 ARG H H 8.18 0.005 1 1328 286 286 ARG C C 180.32 0.050 1 1329 286 286 ARG CA C 59.85 0.050 1 1330 286 286 ARG CB C 30.07 0.050 1 1331 286 286 ARG N N 116.50 0.050 1 1332 287 287 GLN H H 8.49 0.005 1 1333 287 287 GLN C C 178.07 0.050 1 1334 287 287 GLN CA C 58.49 0.050 1 1335 287 287 GLN CB C 27.15 0.050 1 1336 287 287 GLN N N 119.72 0.050 1 1337 288 288 LYS H H 7.67 0.005 1 1338 288 288 LYS C C 179.82 0.050 1 1339 288 288 LYS CA C 59.23 0.050 1 1340 288 288 LYS CB C 31.91 0.050 1 1341 288 288 LYS N N 120.83 0.050 1 1342 289 289 VAL H H 7.85 0.005 1 1343 289 289 VAL C C 177.27 0.050 1 1344 289 289 VAL CA C 66.83 0.050 1 1345 289 289 VAL CB C 30.49 0.050 1 1346 289 289 VAL N N 120.45 0.050 1 1347 290 290 ARG H H 7.75 0.005 1 1348 290 290 ARG C C 177.44 0.050 1 1349 290 290 ARG CA C 56.63 0.050 1 1350 290 290 ARG CB C 29.43 0.050 1 1351 290 290 ARG N N 119.21 0.050 1 1352 291 291 GLU H H 7.98 0.005 1 1353 291 291 GLU C C 177.72 0.050 1 1354 291 291 GLU CA C 57.63 0.050 1 1355 291 291 GLU CB C 29.02 0.050 1 1356 291 291 GLU N N 116.50 0.050 1 1357 292 292 ARG H H 7.12 0.005 1 1358 292 292 ARG C C 174.71 0.050 1 1359 292 292 ARG CA C 55.60 0.050 1 1360 292 292 ARG CB C 31.11 0.050 1 1361 292 292 ARG N N 115.63 0.050 1 1362 293 293 PHE H H 7.99 0.005 1 1363 293 293 PHE C C 173.63 0.050 1 1364 293 293 PHE CA C 57.81 0.050 1 1365 293 293 PHE CB C 40.14 0.050 1 1366 293 293 PHE N N 121.15 0.050 1 1367 294 294 HIS H H 7.90 0.005 1 1368 294 294 HIS C C 175.63 0.050 1 1369 294 294 HIS CA C 55.26 0.050 1 1370 294 294 HIS CB C 29.00 0.050 1 1371 294 294 HIS N N 124.24 0.050 1 1372 295 295 GLY H H 6.03 0.005 1 1373 295 295 GLY C C 172.18 0.050 1 1374 295 295 GLY CA C 43.59 0.050 1 1375 295 295 GLY N N 108.03 0.050 1 1376 296 296 VAL H H 7.74 0.005 1 1377 296 296 VAL C C 175.19 0.050 1 1378 296 296 VAL CA C 63.35 0.050 1 1379 296 296 VAL CB C 31.24 0.050 1 1380 296 296 VAL N N 121.00 0.050 1 1381 297 297 ILE H H 9.60 0.005 1 1382 297 297 ILE C C 175.88 0.050 1 1383 297 297 ILE CA C 60.12 0.050 1 1384 297 297 ILE CB C 40.11 0.050 1 1385 297 297 ILE N N 128.21 0.050 1 1386 298 298 ILE H H 8.97 0.005 1 1387 298 298 ILE C C 175.46 0.050 1 1388 298 298 ILE CA C 58.42 0.050 1 1389 298 298 ILE CB C 39.67 0.050 1 1390 298 298 ILE N N 129.29 0.050 1 1391 299 299 GLY H H 8.08 0.005 1 1392 299 299 GLY C C 170.82 0.050 1 1393 299 299 GLY CA C 43.67 0.050 1 1394 299 299 GLY N N 114.13 0.050 1 1395 300 300 ALA H H 7.71 0.005 1 1396 300 300 ALA C C 175.55 0.050 1 1397 300 300 ALA CA C 51.97 0.050 1 1398 300 300 ALA CB C 24.28 0.050 1 1399 300 300 ALA N N 122.00 0.050 1 1400 301 301 GLY H H 9.31 0.005 1 1401 301 301 GLY C C 171.67 0.050 1 1402 301 301 GLY CA C 45.98 0.050 1 1403 301 301 GLY N N 111.06 0.050 1 1404 302 302 ALA H H 9.80 0.005 1 1405 302 302 ALA C C 177.97 0.050 1 1406 302 302 ALA CA C 52.16 0.050 1 1407 302 302 ALA CB C 15.94 0.050 1 1408 302 302 ALA N N 129.84 0.050 1 1409 303 303 TYR H H 7.98 0.005 1 1410 303 303 TYR C C 176.12 0.050 1 1411 303 303 TYR CA C 60.97 0.050 1 1412 303 303 TYR CB C 39.30 0.050 1 1413 303 303 TYR N N 117.03 0.050 1 1414 304 304 THR H H 6.55 0.005 1 1415 304 304 THR C C 175.67 0.050 1 1416 304 304 THR CA C 58.24 0.050 1 1417 304 304 THR CB C 72.15 0.050 1 1418 304 304 THR N N 106.56 0.050 1 1419 305 305 ALA H H 9.54 0.005 1 1420 305 305 ALA C C 178.89 0.050 1 1421 305 305 ALA CA C 55.81 0.050 1 1422 305 305 ALA CB C 17.40 0.050 1 1423 305 305 ALA N N 125.32 0.050 1 1424 306 306 GLU H H 8.62 0.005 1 1425 306 306 GLU C C 179.20 0.050 1 1426 306 306 GLU CA C 59.65 0.050 1 1427 306 306 GLU CB C 28.46 0.050 1 1428 306 306 GLU N N 117.12 0.050 1 1429 307 307 LYS H H 7.87 0.005 1 1430 307 307 LYS C C 178.45 0.050 1 1431 307 307 LYS CA C 58.78 0.050 1 1432 307 307 LYS CB C 32.97 0.050 1 1433 307 307 LYS N N 122.66 0.050 1 1434 308 308 ALA H H 8.28 0.005 1 1435 308 308 ALA C C 178.12 0.050 1 1436 308 308 ALA CA C 54.95 0.050 1 1437 308 308 ALA CB C 18.94 0.050 1 1438 308 308 ALA N N 119.51 0.050 1 1439 309 309 GLU H H 8.56 0.005 1 1440 309 309 GLU C C 179.72 0.050 1 1441 309 309 GLU CA C 58.91 0.050 1 1442 309 309 GLU CB C 28.63 0.050 1 1443 309 309 GLU N N 117.38 0.050 1 1444 310 310 ASP H H 7.82 0.005 1 1445 310 310 ASP C C 178.78 0.050 1 1446 310 310 ASP CA C 57.10 0.050 1 1447 310 310 ASP CB C 41.72 0.050 1 1448 310 310 ASP N N 119.21 0.050 1 1449 311 311 LEU H H 7.93 0.005 1 1450 311 311 LEU C C 180.07 0.050 1 1451 311 311 LEU CA C 57.95 0.050 1 1452 311 311 LEU CB C 42.14 0.050 1 1453 311 311 LEU N N 118.35 0.050 1 1454 312 312 ILE H H 8.84 0.005 1 1455 312 312 ILE C C 182.29 0.050 1 1456 312 312 ILE CA C 63.63 0.050 1 1457 312 312 ILE CB C 37.41 0.050 1 1458 312 312 ILE N N 122.06 0.050 1 1459 313 313 GLY H H 8.66 0.005 1 1460 313 313 GLY C C 176.21 0.050 1 1461 313 313 GLY CA C 46.96 0.050 1 1462 313 313 GLY N N 111.95 0.050 1 1463 314 314 LYS H H 7.52 0.005 1 1464 314 314 LYS C C 176.94 0.050 1 1465 314 314 LYS CA C 56.96 0.050 1 1466 314 314 LYS CB C 33.84 0.050 1 1467 314 314 LYS N N 118.60 0.050 1 1468 315 315 GLY H H 7.98 0.005 1 1469 315 315 GLY C C 175.08 0.050 1 1470 315 315 GLY CA C 45.08 0.050 1 1471 315 315 GLY N N 108.43 0.050 1 1472 316 316 LEU H H 7.62 0.005 1 1473 316 316 LEU C C 175.77 0.050 1 1474 316 316 LEU CA C 56.34 0.050 1 1475 316 316 LEU CB C 42.47 0.050 1 1476 316 316 LEU N N 118.90 0.050 1 1477 317 317 ILE H H 6.90 0.005 1 1478 317 317 ILE C C 173.81 0.050 1 1479 317 317 ILE CA C 58.76 0.050 1 1480 317 317 ILE CB C 40.43 0.050 1 1481 317 317 ILE N N 106.88 0.050 1 1482 318 318 ASP H H 9.33 0.005 1 1483 318 318 ASP C C 173.90 0.050 1 1484 318 318 ASP CA C 55.07 0.050 1 1485 318 318 ASP CB C 44.89 0.050 1 1486 318 318 ASP N N 117.33 0.050 1 1487 319 319 ALA H H 7.63 0.005 1 1488 319 319 ALA C C 172.30 0.050 1 1489 319 319 ALA CA C 50.16 0.050 1 1490 319 319 ALA CB C 20.32 0.050 1 1491 319 319 ALA N N 118.28 0.050 1 1492 320 320 VAL H H 7.61 0.005 1 1493 320 320 VAL C C 170.88 0.050 1 1494 320 320 VAL CA C 57.11 0.050 1 1495 320 320 VAL CB C 34.45 0.050 1 1496 320 320 VAL N N 117.71 0.050 1 1497 321 321 ALA H H 7.92 0.005 1 1498 321 321 ALA C C 175.59 0.050 1 1499 321 321 ALA CA C 47.96 0.050 1 1500 321 321 ALA CB C 19.42 0.050 1 1501 321 321 ALA N N 126.22 0.050 1 1502 322 322 PHE H H 8.74 0.005 1 1503 322 322 PHE C C 175.24 0.050 1 1504 322 322 PHE CA C 57.27 0.050 1 1505 322 322 PHE CB C 40.61 0.050 1 1506 322 322 PHE N N 120.67 0.050 1 1507 323 323 GLY H H 10.78 0.005 1 1508 323 323 GLY C C 173.70 0.050 1 1509 323 323 GLY CA C 45.28 0.050 1 1510 323 323 GLY N N 115.14 0.050 1 1511 324 324 ARG H H 10.99 0.005 1 1512 324 324 ARG C C 178.37 0.050 1 1513 324 324 ARG CA C 61.10 0.050 1 1514 324 324 ARG CB C 28.17 0.050 1 1515 324 324 ARG N N 132.02 0.050 1 1516 325 325 ASP H H 10.10 0.005 1 1517 325 325 ASP C C 180.00 0.050 1 1518 325 325 ASP CA C 56.93 0.050 1 1519 325 325 ASP CB C 40.14 0.050 1 1520 325 325 ASP N N 116.05 0.050 1 1521 326 326 TYR H H 7.59 0.005 1 1522 326 326 TYR C C 180.60 0.050 1 1523 326 326 TYR CA C 61.03 0.050 1 1524 326 326 TYR CB C 38.49 0.050 1 1525 326 326 TYR N N 121.36 0.050 1 1526 327 327 ILE H H 7.50 0.005 1 1527 327 327 ILE C C 178.27 0.050 1 1528 327 327 ILE CA C 66.30 0.050 1 1529 327 327 ILE CB C 36.10 0.050 1 1530 327 327 ILE N N 120.95 0.050 1 1531 328 328 ALA H H 6.18 0.005 1 1532 328 328 ALA C C 175.46 0.050 1 1533 328 328 ALA CA C 50.00 0.050 1 1534 328 328 ALA CB C 21.41 0.050 1 1535 328 328 ALA N N 115.06 0.050 1 1536 329 329 ASN H H 6.90 0.005 1 1537 329 329 ASN C C 170.54 0.050 1 1538 329 329 ASN CA C 49.49 0.050 1 1539 329 329 ASN CB C 40.30 0.050 1 1540 329 329 ASN N N 114.98 0.050 1 1541 330 330 PRO C C 176.26 0.050 1 1542 330 330 PRO CA C 64.00 0.050 1 1543 330 330 PRO CB C 30.59 0.050 1 1544 331 331 ASP H H 9.00 0.005 1 1545 331 331 ASP C C 176.04 0.050 1 1546 331 331 ASP CA C 51.09 0.050 1 1547 331 331 ASP CB C 37.49 0.050 1 1548 331 331 ASP N N 116.17 0.050 1 1549 332 332 LEU H H 6.43 0.005 1 1550 332 332 LEU C C 177.13 0.050 1 1551 332 332 LEU CA C 58.15 0.050 1 1552 332 332 LEU CB C 39.71 0.050 1 1553 332 332 LEU N N 119.48 0.050 1 1554 333 333 VAL H H 7.46 0.005 1 1555 333 333 VAL C C 176.35 0.050 1 1556 333 333 VAL CA C 67.91 0.050 1 1557 333 333 VAL CB C 30.78 0.050 1 1558 333 333 VAL N N 114.40 0.050 1 1559 334 334 ALA H H 7.26 0.005 1 1560 334 334 ALA C C 180.81 0.050 1 1561 334 334 ALA CA C 54.26 0.050 1 1562 334 334 ALA CB C 17.68 0.050 1 1563 334 334 ALA N N 121.12 0.050 1 1564 335 335 ARG H H 8.07 0.005 1 1565 335 335 ARG C C 179.42 0.050 1 1566 335 335 ARG CA C 59.56 0.050 1 1567 335 335 ARG CB C 28.70 0.050 1 1568 335 335 ARG N N 115.61 0.050 1 1569 336 336 LEU H H 8.65 0.005 1 1570 336 336 LEU C C 180.81 0.050 1 1571 336 336 LEU CA C 56.97 0.050 1 1572 336 336 LEU CB C 40.41 0.050 1 1573 336 336 LEU N N 118.43 0.050 1 1574 337 337 GLN H H 8.27 0.005 1 1575 337 337 GLN C C 178.11 0.050 1 1576 337 337 GLN CA C 59.09 0.050 1 1577 337 337 GLN CB C 27.56 0.050 1 1578 337 337 GLN N N 121.49 0.050 1 1579 338 338 LYS H H 7.76 0.005 1 1580 338 338 LYS C C 175.73 0.050 1 1581 338 338 LYS CA C 55.75 0.050 1 1582 338 338 LYS CB C 31.95 0.050 1 1583 338 338 LYS N N 115.59 0.050 1 1584 339 339 LYS H H 7.61 0.005 1 1585 339 339 LYS C C 175.96 0.050 1 1586 339 339 LYS CA C 56.68 0.050 1 1587 339 339 LYS CB C 27.67 0.050 1 1588 339 339 LYS N N 118.96 0.050 1 1589 340 340 ALA H H 8.33 0.005 1 1590 340 340 ALA C C 176.89 0.050 1 1591 340 340 ALA CA C 50.34 0.050 1 1592 340 340 ALA CB C 20.67 0.050 1 1593 340 340 ALA N N 121.39 0.050 1 1594 341 341 GLU H H 8.13 0.005 1 1595 341 341 GLU C C 175.45 0.050 1 1596 341 341 GLU CA C 56.07 0.050 1 1597 341 341 GLU CB C 29.50 0.050 1 1598 341 341 GLU N N 118.36 0.050 1 1599 342 342 LEU H H 8.28 0.005 1 1600 342 342 LEU C C 178.44 0.050 1 1601 342 342 LEU CA C 53.20 0.050 1 1602 342 342 LEU CB C 41.05 0.050 1 1603 342 342 LEU N N 120.34 0.050 1 1604 343 343 ASN H H 10.05 0.005 1 1605 343 343 ASN C C 173.83 0.050 1 1606 343 343 ASN CA C 51.39 0.050 1 1607 343 343 ASN CB C 36.84 0.050 1 1608 343 343 ASN N N 123.69 0.050 1 1609 344 344 PRO C C 177.44 0.050 1 1610 344 344 PRO CA C 61.60 0.050 1 1611 344 344 PRO CB C 31.13 0.050 1 1612 345 345 GLN H H 8.74 0.005 1 1613 345 345 GLN C C 176.93 0.050 1 1614 345 345 GLN CA C 56.04 0.050 1 1615 345 345 GLN CB C 29.32 0.050 1 1616 345 345 GLN N N 120.87 0.050 1 1617 346 346 ARG H H 7.96 0.005 1 1618 346 346 ARG C C 173.41 0.050 1 1619 346 346 ARG CA C 53.26 0.050 1 1620 346 346 ARG CB C 28.86 0.050 1 1621 346 346 ARG N N 120.93 0.050 1 1622 347 347 PRO C C 178.52 0.050 1 1623 347 347 PRO CA C 62.76 0.050 1 1624 347 347 PRO CB C 30.73 0.050 1 1625 348 348 GLU H H 9.61 0.005 1 1626 348 348 GLU C C 177.28 0.050 1 1627 348 348 GLU CA C 58.26 0.050 1 1628 348 348 GLU CB C 26.78 0.050 1 1629 348 348 GLU N N 120.12 0.050 1 1630 349 349 SER H H 7.84 0.005 1 1631 349 349 SER C C 177.79 0.050 1 1632 349 349 SER CA C 55.62 0.050 1 1633 349 349 SER CB C 61.48 0.050 1 1634 349 349 SER N N 112.48 0.050 1 1635 350 350 PHE H H 7.94 0.005 1 1636 350 350 PHE C C 177.75 0.050 1 1637 350 350 PHE CA C 58.26 0.050 1 1638 350 350 PHE CB C 35.81 0.050 1 1639 350 350 PHE N N 124.23 0.050 1 1640 351 351 TYR H H 9.14 0.005 1 1641 351 351 TYR C C 176.03 0.050 1 1642 351 351 TYR CA C 56.62 0.050 1 1643 351 351 TYR CB C 39.16 0.050 1 1644 351 351 TYR N N 119.40 0.050 1 1645 352 352 GLY H H 8.17 0.005 1 1646 352 352 GLY C C 171.76 0.050 1 1647 352 352 GLY CA C 44.32 0.050 1 1648 352 352 GLY N N 110.14 0.050 1 1649 353 353 GLY H H 8.20 0.005 1 1650 353 353 GLY C C 175.03 0.050 1 1651 353 353 GLY CA C 44.26 0.050 1 1652 353 353 GLY N N 103.24 0.050 1 1653 354 354 GLY H H 8.71 0.005 1 1654 354 354 GLY C C 174.68 0.050 1 1655 354 354 GLY CA C 43.89 0.050 1 1656 354 354 GLY N N 111.84 0.050 1 1657 355 355 ALA H H 8.90 0.005 1 1658 355 355 ALA C C 178.60 0.050 1 1659 355 355 ALA CA C 55.35 0.050 1 1660 355 355 ALA CB C 18.29 0.050 1 1661 355 355 ALA N N 129.39 0.050 1 1662 356 356 GLU H H 8.41 0.005 1 1663 356 356 GLU C C 178.03 0.050 1 1664 356 356 GLU CA C 57.32 0.050 1 1665 356 356 GLU CB C 27.55 0.050 1 1666 356 356 GLU N N 119.13 0.050 1 1667 357 357 GLY H H 9.62 0.005 1 1668 357 357 GLY C C 174.34 0.050 1 1669 357 357 GLY CA C 44.61 0.050 1 1670 357 357 GLY N N 116.85 0.050 1 1671 358 358 TYR H H 8.44 0.005 1 1672 358 358 TYR C C 176.44 0.050 1 1673 358 358 TYR CA C 57.89 0.050 1 1674 358 358 TYR CB C 41.43 0.050 1 1675 358 358 TYR N N 121.69 0.050 1 1676 359 359 THR H H 8.72 0.005 1 1677 359 359 THR C C 175.71 0.050 1 1678 359 359 THR CA C 60.50 0.050 1 1679 359 359 THR CB C 68.15 0.050 1 1680 359 359 THR N N 106.24 0.050 1 1681 360 360 ASP H H 8.10 0.005 1 1682 360 360 ASP C C 177.36 0.050 1 1683 360 360 ASP CA C 53.09 0.050 1 1684 360 360 ASP CB C 39.80 0.050 1 1685 360 360 ASP N N 120.57 0.050 1 1686 361 361 TYR H H 7.47 0.005 1 1687 361 361 TYR C C 175.36 0.050 1 1688 361 361 TYR CA C 56.07 0.050 1 1689 361 361 TYR CB C 37.19 0.050 1 1690 361 361 TYR N N 121.16 0.050 1 1691 362 362 PRO C C 177.55 0.050 1 1692 362 362 PRO CA C 62.47 0.050 1 1693 362 362 PRO CB C 32.09 0.050 1 1694 363 363 SER H H 8.09 0.005 1 1695 363 363 SER C C 174.65 0.050 1 1696 363 363 SER CA C 57.32 0.050 1 1697 363 363 SER CB C 64.76 0.050 1 1698 363 363 SER N N 115.26 0.050 1 1699 364 364 LEU H H 9.90 0.005 1 1700 364 364 LEU C C 167.53 0.050 1 1701 364 364 LEU CA C 57.60 0.050 1 1702 364 364 LEU CB C 41.60 0.050 1 1703 364 364 LEU N N 130.43 0.050 1 stop_ save_