data_1xr0_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1xr0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.792 0.33 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 53.38 38.94 29.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . 0.433 ' HG3' ' N ' ' A' ' 412' ' ' MET . 1.7 tp60 61.86 -86.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' MET . . . . . 0.439 ' CB ' HG21 ' B' ' 82' ' ' THR . 21.4 mmt 50.11 -178.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.575 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' ALA . . . . . 0.443 ' CB ' ' HB ' ' B' ' 49' ' ' THR . . . -115.85 -62.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.01 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' VAL . . . . . 0.541 ' CG2' ' CG ' ' B' ' 87' ' ' PHE . 6.6 p -42.03 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.687 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' HIS . . . . . 0.433 ' HB2' ' CD1' ' B' ' 33' ' ' LEU . 3.1 t60 -65.4 -173.67 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -113.6 141.96 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.921 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -107.36 -44.63 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . 56.25 24.62 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.12 128.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.85 167.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' ILE . . . . . . . . . . . . . 1.4 pt -135.05 160.08 69.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.72 75.09 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.175 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' LEU . . . . . . . . . . . . . 23.8 mt -82.77 158.6 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -93.8 -24.25 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -173.54 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.382 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' GLN . . . . . 0.44 ' HB2' ' CD ' ' B' ' 116' ' ' PRO . 0.0 OUTLIER -161.08 73.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 111.809 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' VAL . . . . . 0.498 ' CG2' ' HB ' ' B' ' 112' ' ' VAL . 0.1 OUTLIER -110.98 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.14 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' THR . . . . . 0.441 HG22 ' O ' ' B' ' 63' ' ' ARG . 3.4 m -85.96 88.51 7.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.65 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' VAL . . . . . 0.494 ' CG1' ' CD1' ' B' ' 65' ' ' TYR . 1.4 m -80.35 104.53 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.456 0.646 . . . . 0.0 110.687 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.679 -179.275 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.833 0.349 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.16 124.13 4.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.59 88.0 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.25 33.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m 60.51 59.51 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.14 114.38 35.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.9 168.41 23.95 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.723 2.282 . . . . 0.0 112.416 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' B' ' 17' ' ' HIS . 1.4 t70 -113.79 -21.34 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.62 74.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' B' ' 15' ' ' ASP . 2.4 p80 -160.75 54.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.14 117.97 23.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.667 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -132.02 92.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' B' ' 21' ' ' PHE . 0.0 OUTLIER -119.23 -175.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.477 177.667 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' PHE . . . . . 0.492 ' CD2' ' HB2' ' B' ' 97' ' ' LEU . 59.8 m-85 -153.58 117.63 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 31.6 ttmt -59.15 82.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.957 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.437 ' CG2' HD13 ' B' ' 47' ' ' LEU . 28.6 m -93.93 140.24 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 10.1 mt -89.09 128.32 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.427 ' O ' ' CD1' ' B' ' 33' ' ' LEU . 32.7 p-10 -80.09 105.47 11.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.487 ' CG1' ' CD ' ' B' ' 90' ' ' LYS . 23.7 m -102.48 156.36 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.556 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 46.8 p30 -96.0 -172.12 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.874 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -45.58 -62.01 1.46 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.34 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -50.45 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.38 47.34 1.23 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -107.65 23.13 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 0.0 111.142 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 60.75 141.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.373 179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.433 ' CD1' ' HB2' ' A' ' 415' ' ' HIS . 1.3 mt -114.91 -57.22 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.228 0.537 . . . . 0.0 110.235 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.34 -107.88 0.65 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.048 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 167.68 122.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.86 165.68 21.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.428 ' CG2' ' HB2' ' B' ' 20' ' ' LYS . 25.2 mm -100.16 107.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 110.736 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' MET . . . . . 0.449 ' HA ' ' CD1' ' B' ' 47' ' ' LEU . 13.2 tpp -74.08 122.82 23.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.903 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -118.22 132.66 56.3 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.255 0.55 . . . . 0.0 111.619 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.487 HD12 ' CE2' ' B' ' 21' ' ' PHE . 0.4 OUTLIER -119.24 66.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.554 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -54.15 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.108 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -71.75 -16.16 62.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.255 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -163.83 54.06 0.16 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 178.49 139.61 0.09 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.568 HD12 ' CE1' ' B' ' 59' ' ' TYR . 1.3 tp -101.64 67.5 1.12 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . 0.462 ' HA ' ' CB ' ' B' ' 56' ' ' LYS . 22.1 mt -75.62 106.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.547 . . . . 0.0 111.733 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' B' ' 89' ' ' PHE . 13.5 tp -95.05 87.29 4.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.344 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.409 ' HB2' ' HB ' ' B' ' 37' ' ' ILE . 54.2 m-85 -55.16 146.99 17.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.757 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.443 ' HB ' ' CB ' ' A' ' 413' ' ' ALA . 0.0 OUTLIER -168.63 140.84 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 111.308 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.42 21.25 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.504 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.92 27.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.07 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -152.46 -52.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -79.72 128.71 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.47 97.22 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.056 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.49 ' O ' ' CZ3' ' B' ' 57' ' ' TRP . 0.0 OUTLIER -77.68 79.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.462 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . 0.0 OUTLIER -106.35 120.11 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.041 -177.607 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' TRP . . . . . 0.49 ' CZ3' ' O ' ' B' ' 55' ' ' VAL . 12.1 m-90 -98.06 -174.76 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.923 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 -96.59 32.03 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.991 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.568 ' CE1' HD12 ' B' ' 45' ' ' LEU . 0.1 OUTLIER 70.02 -80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.367 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.434 ' HB2' ' CG2' ' B' ' 110' ' ' ILE . 0.8 OUTLIER -81.92 4.31 23.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.031 -177.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' CYS . . . . . . . . . . . . . 49.5 t -67.3 -9.07 37.21 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.698 0.285 . . . . 0.0 110.875 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' B' ' 59' ' ' TYR . 1.7 mt -59.81 -152.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.149 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.441 ' O ' HG22 ' A' ' 428' ' ' THR . 0.2 OUTLIER -151.73 -44.63 0.11 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . 0.439 ' HB3' ' CB ' ' A' ' 428' ' ' THR . 0.0 OUTLIER -159.91 118.0 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.483 176.026 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' TYR . . . . . 0.577 ' CE2' ' CD1' ' B' ' 98' ' ' PHE . 0.0 OUTLIER -117.65 135.63 53.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.162 0.505 . . . . 0.0 111.911 -175.656 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.22 -174.72 14.38 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.079 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' TYR . . . . . 0.413 ' CE1' ' CD2' ' B' ' 98' ' ' PHE . 0.3 OUTLIER -166.3 147.2 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 111.127 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 70' ' ' ASN . 66.9 t0 -123.44 101.31 7.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.9 t 56.85 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 68' ' ' ASP . 12.5 m-20 -122.88 38.43 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.98 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.7 tt -128.71 119.09 23.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.231 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.488 ' CD1' HD22 ' B' ' 97' ' ' LEU . 7.9 t80 -86.65 110.23 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' SER . . . . . . . . . . . . . 6.4 p -114.72 127.14 55.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 178.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.538 ' CD1' ' HB2' ' B' ' 87' ' ' PHE . 0.2 OUTLIER -151.04 133.21 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.405 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -123.71 127.76 48.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' B' ' 62' ' ' LEU . 63.6 p -120.37 139.04 53.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.79 175.6 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' B' ' 84' ' ' GLN . 0.2 OUTLIER -56.33 129.63 41.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 0.0 110.951 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -156.49 -74.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.88 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.07 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLN . . . . . 0.424 ' CG ' HG11 ' B' ' 55' ' ' VAL . 1.8 mp0 69.85 -85.89 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.169 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.475 ' CG2' ' CG1' ' A' ' 414' ' ' VAL . 24.2 p -106.51 -39.13 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.0 -164.54 25.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.804 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' B' ' 78' ' ' ARG . 0.0 OUTLIER -95.39 140.81 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.024 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -176.43 21.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.969 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ILE . . . . . 0.407 HG22 HD13 ' B' ' 86' ' ' ILE . 54.4 mt -89.9 150.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.746 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.541 ' CG ' ' CG2' ' A' ' 414' ' ' VAL . 10.5 m-85 -119.54 140.1 51.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.315 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ALA . . . . . 0.428 ' O ' ' CG2' ' B' ' 26' ' ' VAL . . . -120.22 134.66 55.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.487 ' CZ ' HD23 ' B' ' 47' ' ' LEU . 14.0 m-85 -138.04 146.86 43.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.972 0.415 . . . . 0.0 111.168 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . 0.487 ' CD ' ' CG1' ' B' ' 26' ' ' VAL . 6.6 mtpt -117.86 111.66 19.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' CYS . . . . . . . . . . . . . 26.7 p -145.7 168.37 20.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.54 -23.17 16.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.033 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.66 25.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.18 -37.89 37.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.54 -55.27 35.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLU . . . . . 0.471 ' HB3' ' CZ ' ' B' ' 21' ' ' PHE . 2.5 mm-40 -45.12 -63.63 0.89 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.423 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' LEU . . . . . 0.492 ' HB2' ' CD2' ' B' ' 21' ' ' PHE . 7.5 tt -47.26 -62.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.713 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' PHE . . . . . 0.577 ' CD1' ' CE2' ' B' ' 65' ' ' TYR . 0.7 OUTLIER -49.11 -70.83 0.08 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 111.449 178.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -38.81 -52.77 1.72 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 111.15 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' MET . . . . . 0.421 ' CE ' HD13 ' B' ' 40' ' ' LEU . 2.9 ttp -53.05 -64.47 0.81 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.89 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' LEU . . . . . 0.514 ' CD2' ' CE2' ' B' ' 65' ' ' TYR . 2.2 tp -41.79 -53.4 3.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.497 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -49.6 -36.19 23.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.103 0.477 . . . . 0.0 110.438 179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLU . . . . . 0.416 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 0.1 OUTLIER -78.29 -42.37 31.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.264 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ILE . . . . . 0.44 ' CD1' ' OH ' ' B' ' 59' ' ' TYR . 1.7 mt -59.34 -23.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' MET . . . . . 0.435 ' CE ' HG23 ' A' ' 429' ' ' VAL . 3.2 mmt -79.69 -41.23 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLN . . . . . 0.416 ' HG3' ' HA ' ' B' ' 103' ' ' GLU . 2.7 mt-30 -64.76 -24.82 67.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -31.41 64.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.99 20.64 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.222 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.83 24.38 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.087 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ILE . . . . . 0.438 HG21 ' N ' ' B' ' 111' ' ' ASN . 25.0 mt -56.45 161.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ASN . . . . . 0.438 ' N ' HG21 ' B' ' 110' ' ' ILE . 2.7 m120 -89.31 126.33 35.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' VAL . . . . . 0.498 ' HB ' ' CG2' ' A' ' 427' ' ' VAL . 6.1 m -143.95 54.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.92 176.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 428' ' ' THR . 28.0 m -44.22 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.445 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 427' ' ' VAL . 3.7 mt-10 -89.83 129.18 36.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.17 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' GLU . . . . . 0.471 ' HB2' ' CD ' ' B' ' 116' ' ' PRO . 14.5 mt-10 -88.38 -65.53 0.18 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.219 -177.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' PRO . . . . . 0.471 ' CD ' ' HB2' ' B' ' 115' ' ' GLU . 44.0 Cg_endo -66.27 116.02 3.81 Favored 'Trans proline' 0 CA--C 1.514 -0.495 0 C-N-CA 122.351 2.034 . . . . 0.0 112.086 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' VAL . . . . . . . . . . . . . 1.1 t -146.65 34.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.309 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 41.1 96.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.722 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.23 -178.12 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' B' ' 122' ' ' ASN . 32.2 mtt180 -143.44 129.36 19.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.8 m120 61.7 -80.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 120' ' ' ARG . 13.8 t30 179.43 119.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -86.23 -49.98 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.42 165.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 33.4 p -128.21 140.17 52.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.1 160.69 15.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 115.14 13.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.21 -49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' VAL . . . . . . . . . . . . . 5.9 m -84.39 154.88 63.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.77 153.39 99.13 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.496 -1.46 . . . . 0.0 112.499 0.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -176.88 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.7 t -158.54 142.63 11.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.76 132.75 19.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.367 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -83.17 -34.13 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' THR . . . . . . . . . . . . . 2.2 m 66.04 79.25 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.606 2.204 . . . . 0.0 112.334 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.792 0.33 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 53.38 38.94 29.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 411' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 412' ' ' MET . 1.7 tp60 61.86 -86.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 412' ' ' MET . . . . . 0.519 ' CB ' HG22 ' B' ' 82' ' ' THR . 21.4 mmt 50.11 -178.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.575 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' ALA . . . . . 0.774 ' HB2' ' CB ' ' B' ' 49' ' ' THR . . . -115.85 -62.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.01 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' VAL . . . . . 1.112 HG13 HG21 ' B' ' 82' ' ' THR . 6.6 p -42.03 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.687 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' HIS . . . . . 0.596 ' HB2' HD11 ' B' ' 33' ' ' LEU . 1.0 OUTLIER -65.4 -173.67 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 179.268 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -113.6 141.96 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.921 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 417' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' B' ' 28' ' ' ASP . 2.6 mm? -107.36 -44.63 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . 56.25 24.62 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.12 128.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.85 167.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 421' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' B' ' 73' ' ' SER . 1.4 pt -135.05 160.08 69.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.72 75.09 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.175 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 423' ' ' LEU . . . . . 0.467 HD22 ' N ' ' B' ' 67' ' ' TYR . 23.8 mt -82.77 158.6 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -93.8 -24.25 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -173.54 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.382 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' GLN . . . . . 0.465 ' HB2' ' CD ' ' B' ' 116' ' ' PRO . 0.0 OUTLIER -161.08 73.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 111.809 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 427' ' ' VAL . . . . . 0.594 HG23 ' HB ' ' B' ' 112' ' ' VAL . 0.1 OUTLIER -110.98 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.14 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 428' ' ' THR . . . . . 0.851 HG23 ' HG2' ' B' ' 64' ' ' ARG . 3.4 m -85.96 88.51 7.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.65 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 429' ' ' VAL . . . . . 0.64 ' HB ' HG12 ' B' ' 112' ' ' VAL . 1.4 m -80.35 104.53 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.456 0.646 . . . . 0.0 110.687 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.679 -179.275 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.833 0.349 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.16 124.13 4.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.59 88.0 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.25 33.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m 60.51 59.51 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.14 114.38 35.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.9 168.41 23.95 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.723 2.282 . . . . 0.0 112.416 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' B' ' 17' ' ' HIS . 1.4 t70 -113.79 -21.34 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.62 74.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' B' ' 15' ' ' ASP . 2.4 p80 -160.75 54.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.14 117.97 23.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.667 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -132.02 92.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' B' ' 21' ' ' PHE . 0.0 OUTLIER -119.23 -175.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.477 177.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' B' ' 97' ' ' LEU . 59.8 m-85 -153.58 117.63 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.665 ' HA ' HD13 ' B' ' 37' ' ' ILE . 31.6 ttmt -59.15 82.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.957 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.439 ' CG2' HD11 ' B' ' 47' ' ' LEU . 28.6 m -93.93 140.24 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 10.1 mt -89.09 128.32 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.563 ' O ' HD12 ' B' ' 33' ' ' LEU . 32.7 p-10 -80.09 105.47 11.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.826 HG11 ' HD2' ' B' ' 90' ' ' LYS . 23.7 m -102.48 156.36 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.556 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.795 ' HB3' HD21 ' B' ' 33' ' ' LEU . 46.8 p30 -96.0 -172.12 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASP . . . . . 0.582 ' HA ' HD13 ' A' ' 417' ' ' LEU . 18.4 t0 -45.58 -62.01 1.46 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.34 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -50.45 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.38 47.34 1.23 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -107.65 23.13 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 0.0 111.142 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.543 ' HA ' HG12 ' B' ' 26' ' ' VAL . 0.4 OUTLIER 60.75 141.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.373 179.641 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' B' ' 27' ' ' ASP . 1.3 mt -114.91 -57.22 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.228 0.537 . . . . 0.0 110.235 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.34 -107.88 0.65 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.048 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 167.68 122.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.86 165.68 21.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' B' ' 22' ' ' LYS . 25.2 mm -100.16 107.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 110.736 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' MET . . . . . 0.463 ' HA ' ' CD1' ' B' ' 47' ' ' LEU . 13.2 tpp -74.08 122.82 23.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.903 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -118.22 132.66 56.3 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.255 0.55 . . . . 0.0 111.619 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.836 HD21 ' HG ' ' B' ' 97' ' ' LEU . 0.4 OUTLIER -119.24 66.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.554 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -54.15 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.108 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . 0.611 ' O ' HG23 ' B' ' 43' ' ' THR . 1.3 m-20 -71.75 -16.16 62.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.255 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.611 HG23 ' O ' ' B' ' 42' ' ' ASP . 1.0 OUTLIER -163.83 54.06 0.16 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -179.535 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 178.49 139.61 0.09 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.687 HD13 ' CD1' ' B' ' 59' ' ' TYR . 1.3 tp -101.64 67.5 1.12 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.475 ' HA ' ' CB ' ' B' ' 56' ' ' LYS . 22.1 mt -75.62 106.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.547 . . . . 0.0 111.733 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.936 HD21 ' CZ ' ' B' ' 89' ' ' PHE . 13.5 tp -95.05 87.29 4.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.344 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' B' ' 37' ' ' ILE . 54.2 m-85 -55.16 146.99 17.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.757 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.774 ' CB ' ' HB2' ' A' ' 413' ' ' ALA . 0.0 OUTLIER -168.63 140.84 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 111.308 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.42 21.25 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.504 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.92 27.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.07 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -152.46 -52.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ASP . . . . . 0.548 ' O ' HG23 ' B' ' 49' ' ' THR . 1.8 m-20 -79.72 128.71 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.47 97.22 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.056 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.667 HG11 ' CG1' ' A' ' 414' ' ' VAL . 0.0 OUTLIER -77.68 79.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.475 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . 0.0 OUTLIER -106.35 120.11 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.041 -177.607 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' TRP . . . . . 0.49 ' CZ3' ' O ' ' B' ' 55' ' ' VAL . 12.1 m-90 -98.06 -174.76 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.923 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.427 ' HB3' ' HB2' ' B' ' 61' ' ' CYS . 5.7 t-160 -96.59 32.03 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.991 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.687 ' CD1' HD13 ' B' ' 45' ' ' LEU . 0.1 OUTLIER 70.02 -80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.367 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.845 ' HB3' HD13 ' B' ' 110' ' ' ILE . 0.8 OUTLIER -81.92 4.31 23.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.031 -177.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 61' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' B' ' 58' ' ' HIS . 49.5 t -67.3 -9.07 37.21 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.698 0.285 . . . . 0.0 110.875 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.463 ' HB2' HG22 ' A' ' 429' ' ' VAL . 1.7 mt -59.81 -152.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.149 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 429' ' ' VAL . 0.2 OUTLIER -151.73 -44.63 0.11 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ARG . . . . . 0.851 ' HG2' HG23 ' A' ' 428' ' ' THR . 0.0 OUTLIER -159.91 118.0 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.483 176.026 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 65' ' ' TYR . . . . . 0.614 ' CE2' HD23 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -117.65 135.63 53.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.162 0.505 . . . . 0.0 111.911 -175.656 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.22 -174.72 14.38 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.079 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' TYR . . . . . 0.467 ' N ' HD22 ' A' ' 423' ' ' LEU . 0.3 OUTLIER -166.3 147.2 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 111.127 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 70' ' ' ASN . 66.9 t0 -123.44 101.31 7.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.9 t 56.85 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 68' ' ' ASP . 12.5 m-20 -122.88 38.43 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.98 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.58 ' C ' HD23 ' B' ' 71' ' ' LEU . 6.7 tt -128.71 119.09 23.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.231 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 0.437 ' CZ ' ' CG ' ' B' ' 74' ' ' PHE . 7.9 t80 -86.65 110.23 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 421' ' ' ILE . 6.4 p -114.72 127.14 55.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' B' ' 87' ' ' PHE . 0.2 OUTLIER -151.04 133.21 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.405 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -123.71 127.76 48.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' B' ' 62' ' ' LEU . 63.6 p -120.37 139.04 53.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.79 175.6 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' B' ' 84' ' ' GLN . 0.2 OUTLIER -56.33 129.63 41.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 0.0 110.951 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -156.49 -74.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' B' ' 81' ' ' GLN . 0.1 OUTLIER 178.88 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.07 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' B' ' 80' ' ' CYS . 1.8 mp0 69.85 -85.89 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.169 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 1.112 HG21 HG13 ' A' ' 414' ' ' VAL . 24.2 p -106.51 -39.13 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.0 -164.54 25.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.804 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.468 ' HG2' ' N ' ' B' ' 78' ' ' ARG . 0.0 OUTLIER -95.39 140.81 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.024 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -176.43 21.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.969 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 54.4 mt -89.9 150.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.746 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.612 ' HB3' HG23 ' A' ' 414' ' ' VAL . 10.5 m-85 -119.54 140.1 51.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.315 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ALA . . . . . 0.763 ' O ' HG22 ' B' ' 26' ' ' VAL . . . -120.22 134.66 55.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.936 ' CZ ' HD21 ' B' ' 47' ' ' LEU . 14.0 m-85 -138.04 146.86 43.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.972 0.415 . . . . 0.0 111.168 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . 0.826 ' HD2' HG11 ' B' ' 26' ' ' VAL . 6.6 mtpt -117.86 111.66 19.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' B' ' 23' ' ' VAL . 26.7 p -145.7 168.37 20.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.54 -23.17 16.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.033 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.66 25.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.18 -37.89 37.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.54 -55.27 35.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 21' ' ' PHE . 2.5 mm-40 -45.12 -63.63 0.89 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.423 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' LEU . . . . . 0.836 ' HG ' HD21 ' B' ' 40' ' ' LEU . 7.5 tt -47.26 -62.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.713 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' PHE . . . . . 0.581 ' N ' HD23 ' B' ' 97' ' ' LEU . 0.7 OUTLIER -49.11 -70.83 0.08 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 111.449 178.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -38.81 -52.77 1.72 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 111.15 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' MET . . . . . 0.536 ' HG2' HD11 ' B' ' 104' ' ' ILE . 2.9 ttp -53.05 -64.47 0.81 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.89 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 101' ' ' LEU . . . . . 0.676 HD13 HD23 ' B' ' 40' ' ' LEU . 2.2 tp -41.79 -53.4 3.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.497 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 102' ' ' GLN . . . . . 0.42 ' HG3' ' OH ' ' B' ' 65' ' ' TYR . 82.2 mt-30 -49.6 -36.19 23.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.103 0.477 . . . . 0.0 110.438 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLU . . . . . 0.439 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 0.1 OUTLIER -78.29 -42.37 31.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.264 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ILE . . . . . 0.536 HD11 ' HG2' ' B' ' 100' ' ' MET . 1.7 mt -59.34 -23.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' MET . . . . . 0.482 ' HE1' HG21 ' A' ' 429' ' ' VAL . 3.2 mmt -79.69 -41.23 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLN . . . . . 0.439 ' HG3' ' HA ' ' B' ' 103' ' ' GLU . 2.7 mt-30 -64.76 -24.82 67.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -31.41 64.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.99 20.64 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.222 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.83 24.38 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.087 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ILE . . . . . 0.845 HD13 ' HB3' ' B' ' 60' ' ' LEU . 25.0 mt -56.45 161.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ASN . . . . . 0.549 ' N ' HG22 ' B' ' 110' ' ' ILE . 2.7 m120 -89.31 126.33 35.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' VAL . . . . . 0.64 HG12 ' HB ' ' A' ' 429' ' ' VAL . 6.1 m -143.95 54.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.92 176.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 428' ' ' THR . 28.0 m -44.22 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.445 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 427' ' ' VAL . 3.7 mt-10 -89.83 129.18 36.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.17 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 115' ' ' GLU . . . . . 0.548 ' O ' HG23 ' B' ' 117' ' ' VAL . 14.5 mt-10 -88.38 -65.53 0.18 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.219 -177.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' PRO . . . . . 0.495 ' CD ' ' HB2' ' B' ' 115' ' ' GLU . 44.0 Cg_endo -66.27 116.02 3.81 Favored 'Trans proline' 0 CA--C 1.514 -0.495 0 C-N-CA 122.351 2.034 . . . . 0.0 112.086 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 117' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 115' ' ' GLU . 1.1 t -146.65 34.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.309 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 41.1 96.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.722 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.23 -178.12 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' B' ' 122' ' ' ASN . 32.2 mtt180 -143.44 129.36 19.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.8 m120 61.7 -80.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 120' ' ' ARG . 13.8 t30 179.43 119.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -86.23 -49.98 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.42 165.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 33.4 p -128.21 140.17 52.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.1 160.69 15.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 115.14 13.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.21 -49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' VAL . . . . . 0.404 HG22 ' H ' ' B' ' 129' ' ' VAL . 5.9 m -84.39 154.88 63.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.77 153.39 99.13 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.496 -1.46 . . . . 0.0 112.499 0.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -176.88 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.7 t -158.54 142.63 11.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.76 132.75 19.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.367 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -83.17 -34.13 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' THR . . . . . . . . . . . . . 2.2 m 66.04 79.25 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.606 2.204 . . . . 0.0 112.334 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 409' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.792 0.33 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 410' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 53.38 38.94 29.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . 0.418 ' HG3' ' N ' ' A' ' 412' ' ' MET . 1.7 tp60 61.86 -86.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' MET . . . . . 0.519 ' CB ' HG22 ' B' ' 82' ' ' THR . 21.4 mmt 50.11 -178.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.575 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' ALA . . . . . 0.774 ' HB2' ' CB ' ' B' ' 49' ' ' THR . . . -115.85 -62.5 1.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.953 0.406 . . . . 0.0 111.01 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' VAL . . . . . 1.112 HG13 HG21 ' B' ' 82' ' ' THR . 6.6 p -42.03 95.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.687 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' HIS . . . . . 0.596 ' HB2' HD11 ' B' ' 33' ' ' LEU . 3.1 t60 -65.4 -173.67 0.15 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.549 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -113.6 141.96 46.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.921 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' LEU . . . . . 0.582 HD13 ' HA ' ' B' ' 28' ' ' ASP . 2.6 mm? -107.36 -44.63 4.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.095 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' ALA . . . . . . . . . . . . . . . 56.25 24.62 8.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.03 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.12 128.68 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -51.85 167.46 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' B' ' 73' ' ' SER . 1.4 pt -135.05 160.08 69.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.007 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -64.72 75.09 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.563 2.175 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' LEU . . . . . 0.467 HD22 ' N ' ' B' ' 67' ' ' TYR . 23.8 mt -82.77 158.6 22.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.086 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' ARG . . . . . . . . . . . . . 2.2 mmm-85 -93.8 -24.25 17.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.891 179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -173.54 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.382 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' GLN . . . . . 0.465 ' HB2' ' CD ' ' B' ' 116' ' ' PRO . 0.0 OUTLIER -161.08 73.55 0.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.046 0.451 . . . . 0.0 111.809 -179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' VAL . . . . . 0.594 HG23 ' HB ' ' B' ' 112' ' ' VAL . 0.1 OUTLIER -110.98 101.01 11.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 177.14 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' THR . . . . . 0.851 HG23 ' HG2' ' B' ' 64' ' ' ARG . 3.4 m -85.96 88.51 7.59 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.65 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' VAL . . . . . 0.64 ' HB ' HG12 ' B' ' 112' ' ' VAL . 1.4 m -80.35 104.53 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 CA-C-O 121.456 0.646 . . . . 0.0 110.687 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--O 1.249 1.077 0 CA-C-N 114.911 -1.04 . . . . 0.0 111.679 -179.275 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.833 0.349 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.16 124.13 4.52 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.507 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.59 88.0 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.25 33.08 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.965 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m 60.51 59.51 2.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -119.14 114.38 35.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.034 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -71.9 168.41 23.95 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.723 2.282 . . . . 0.0 112.416 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' B' ' 17' ' ' HIS . 1.4 t70 -113.79 -21.34 10.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -64.62 74.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.98 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' B' ' 15' ' ' ASP . 2.4 p80 -160.75 54.3 0.31 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.14 117.97 23.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.667 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -132.02 92.54 3.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.352 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.475 ' O ' ' CD1' ' B' ' 21' ' ' PHE . 0.0 OUTLIER -119.23 -175.86 3.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.477 177.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' PHE . . . . . 0.496 ' CD2' ' HB2' ' B' ' 97' ' ' LEU . 59.8 m-85 -153.58 117.63 4.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 111.267 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.665 ' HA ' HD13 ' B' ' 37' ' ' ILE . 31.6 ttmt -59.15 82.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.957 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.439 ' CG2' HD11 ' B' ' 47' ' ' LEU . 28.6 m -93.93 140.24 16.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.469 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 10.1 mt -89.09 128.32 41.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.463 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.563 ' O ' HD12 ' B' ' 33' ' ' LEU . 32.7 p-10 -80.09 105.47 11.39 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 178.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.826 HG11 ' HD2' ' B' ' 90' ' ' LYS . 23.7 m -102.48 156.36 4.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.556 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.795 ' HB3' HD21 ' B' ' 33' ' ' LEU . 46.8 p30 -96.0 -172.12 2.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASP . . . . . 0.582 ' HA ' HD13 ' A' ' 417' ' ' LEU . 18.4 t0 -45.58 -62.01 1.46 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.34 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.52 -50.45 71.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' GLY . . . . . . . . . . . . . . . 104.38 47.34 1.23 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -107.65 23.13 14.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.625 0.25 . . . . 0.0 111.142 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.543 ' HA ' HG12 ' B' ' 26' ' ' VAL . 0.4 OUTLIER 60.75 141.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.992 0.425 . . . . 0.0 111.373 179.641 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.795 HD21 ' HB3' ' B' ' 27' ' ' ASP . 1.3 mt -114.91 -57.22 2.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.228 0.537 . . . . 0.0 110.235 178.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.34 -107.88 0.65 Allowed Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.501 -0.772 . . . . 0.0 112.048 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 167.68 122.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 110.464 179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . -128.86 165.68 21.59 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.461 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.665 HD13 ' HA ' ' B' ' 22' ' ' LYS . 25.2 mm -100.16 107.54 21.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.019 0.437 . . . . 0.0 110.736 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' MET . . . . . 0.463 ' HA ' ' CD1' ' B' ' 47' ' ' LEU . 13.2 tpp -74.08 122.82 23.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.903 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -118.22 132.66 56.3 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.255 0.55 . . . . 0.0 111.619 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.836 HD21 ' HG ' ' B' ' 97' ' ' LEU . 0.4 OUTLIER -119.24 66.83 0.79 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.554 -179.515 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' THR . . . . . . . . . . . . . 9.6 p -54.15 -167.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.108 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . 0.611 ' O ' HG23 ' B' ' 43' ' ' THR . 1.3 m-20 -71.75 -16.16 62.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.255 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.611 HG23 ' O ' ' B' ' 42' ' ' ASP . 1.0 OUTLIER -163.83 54.06 0.16 Allowed 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 111.584 0.216 . . . . 0.0 111.584 -179.535 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 178.49 139.61 0.09 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.687 HD13 ' CD1' ' B' ' 59' ' ' TYR . 1.3 tp -101.64 67.5 1.12 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 175.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.475 ' HA ' ' CB ' ' B' ' 56' ' ' LYS . 22.1 mt -75.62 106.69 5.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.248 0.547 . . . . 0.0 111.733 -177.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.936 HD21 ' CZ ' ' B' ' 89' ' ' PHE . 13.5 tp -95.05 87.29 4.86 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.344 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.42 ' HB2' ' HB ' ' B' ' 37' ' ' ILE . 54.2 m-85 -55.16 146.99 17.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.757 179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.774 ' CB ' ' HB2' ' A' ' 413' ' ' ALA . 0.0 OUTLIER -168.63 140.84 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.912 0.387 . . . . 0.0 111.308 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.42 21.25 6.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.504 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 47.92 27.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.855 0.36 . . . . 0.0 111.07 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ARG . . . . . . . . . . . . . 11.2 mtp180 -152.46 -52.35 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ASP . . . . . 0.548 ' O ' HG23 ' B' ' 49' ' ' THR . 1.8 m-20 -79.72 128.71 33.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.47 97.22 5.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.056 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.667 HG11 ' CG1' ' A' ' 414' ' ' VAL . 0.0 OUTLIER -77.68 79.13 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 177.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.475 ' CB ' ' HA ' ' B' ' 46' ' ' ILE . 0.0 OUTLIER -106.35 120.11 41.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.28 -0.418 . . . . 0.0 112.041 -177.607 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' TRP . . . . . 0.49 ' CZ3' ' O ' ' B' ' 55' ' ' VAL . 12.1 m-90 -98.06 -174.76 2.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.923 177.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.427 ' HB3' ' HB2' ' B' ' 61' ' ' CYS . 5.7 t-160 -96.59 32.03 2.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.991 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.687 ' CD1' HD13 ' B' ' 45' ' ' LEU . 0.1 OUTLIER 70.02 -80.57 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.367 179.233 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.845 ' HB3' HD13 ' B' ' 110' ' ' ILE . 0.8 OUTLIER -81.92 4.31 23.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.031 -177.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' B' ' 58' ' ' HIS . 49.5 t -67.3 -9.07 37.21 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 120.698 0.285 . . . . 0.0 110.875 177.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.463 ' HB2' HG22 ' A' ' 429' ' ' VAL . 1.7 mt -59.81 -152.33 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.149 -179.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 429' ' ' VAL . 0.2 OUTLIER -151.73 -44.63 0.11 Allowed 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.254 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . 0.851 ' HG2' HG23 ' A' ' 428' ' ' THR . 0.0 OUTLIER -159.91 118.0 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.682 -0.69 . . . . 0.0 109.483 176.026 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' TYR . . . . . 0.614 ' CE2' HD23 ' B' ' 101' ' ' LEU . 0.0 OUTLIER -117.65 135.63 53.87 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-O 121.162 0.505 . . . . 0.0 111.911 -175.656 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -141.22 -174.72 14.38 Favored Glycine 0 N--CA 1.451 -0.307 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.079 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' TYR . . . . . 0.467 ' N ' HD22 ' A' ' 423' ' ' LEU . 0.3 OUTLIER -166.3 147.2 6.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.882 0.373 . . . . 0.0 111.127 178.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' B' ' 70' ' ' ASN . 66.9 t0 -123.44 101.31 7.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.949 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' SER . . . . . . . . . . . . . 11.9 t 56.85 -84.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.124 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASN . . . . . 0.425 ' N ' ' O ' ' B' ' 68' ' ' ASP . 12.5 m-20 -122.88 38.43 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.98 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.58 HD23 ' C ' ' B' ' 71' ' ' LEU . 6.7 tt -128.71 119.09 23.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.231 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.437 ' CZ ' ' CG ' ' B' ' 74' ' ' PHE . 7.9 t80 -86.65 110.23 19.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.566 179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 421' ' ' ILE . 6.4 p -114.72 127.14 55.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' B' ' 87' ' ' PHE . 0.2 OUTLIER -151.04 133.21 15.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.405 179.815 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -123.71 127.76 48.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.226 -178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . 0.436 ' HA ' ' HA ' ' B' ' 62' ' ' LEU . 63.6 p -120.37 139.04 53.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.939 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' GLY . . . . . . . . . . . . . . . -58.79 175.6 2.67 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.5 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' B' ' 84' ' ' GLN . 0.2 OUTLIER -56.33 129.63 41.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.767 0.317 . . . . 0.0 110.951 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -156.49 -74.75 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.151 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' CYS . . . . . 0.406 ' O ' ' HB2' ' B' ' 81' ' ' GLN . 0.1 OUTLIER 178.88 -155.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.07 -179.327 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLN . . . . . 0.406 ' HB2' ' O ' ' B' ' 80' ' ' CYS . 1.8 mp0 69.85 -85.89 0.03 OUTLIER 'General case' 0 C--O 1.231 0.108 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.169 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 1.112 HG21 HG13 ' A' ' 414' ' ' VAL . 24.2 p -106.51 -39.13 5.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.055 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLY . . . . . . . . . . . . . . . 137.0 -164.54 25.25 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.804 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.468 ' HG2' ' N ' ' B' ' 78' ' ' ARG . 0.0 OUTLIER -95.39 140.81 29.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.779 0.323 . . . . 0.0 111.024 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLY . . . . . . . . . . . . . . . 141.24 -176.43 21.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.527 -0.844 . . . . 0.0 112.969 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ILE . . . . . . . . . . . . . 54.4 mt -89.9 150.29 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.746 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.612 ' HB3' HG23 ' A' ' 414' ' ' VAL . 10.5 m-85 -119.54 140.1 51.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.315 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ALA . . . . . 0.763 ' O ' HG22 ' B' ' 26' ' ' VAL . . . -120.22 134.66 55.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.557 178.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.936 ' CZ ' HD21 ' B' ' 47' ' ' LEU . 14.0 m-85 -138.04 146.86 43.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.972 0.415 . . . . 0.0 111.168 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . 0.826 ' HD2' HG11 ' B' ' 26' ' ' VAL . 6.6 mtpt -117.86 111.66 19.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.951 -178.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' CYS . . . . . 0.416 ' HB3' ' HA ' ' B' ' 23' ' ' VAL . 26.7 p -145.7 168.37 20.87 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.019 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ALA . . . . . . . . . . . . . . . -97.54 -23.17 16.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.033 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.66 25.92 3.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.921 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ALA . . . . . . . . . . . . . . . -50.18 -37.89 37.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.886 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.54 -55.27 35.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.59 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLU . . . . . 0.482 ' HB3' ' CZ ' ' B' ' 21' ' ' PHE . 2.5 mm-40 -45.12 -63.63 0.89 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.423 177.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' LEU . . . . . 0.836 ' HG ' HD21 ' B' ' 40' ' ' LEU . 7.5 tt -47.26 -62.89 1.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.713 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' PHE . . . . . 0.581 ' N ' HD23 ' B' ' 97' ' ' LEU . 0.7 OUTLIER -49.11 -70.83 0.08 Allowed 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.75 0.31 . . . . 0.0 111.449 178.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -38.81 -52.77 1.72 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.208 0.528 . . . . 0.0 111.15 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' MET . . . . . 0.536 ' HG2' HD11 ' B' ' 104' ' ' ILE . 2.9 ttp -53.05 -64.47 0.81 Allowed 'General case' 0 N--CA 1.45 -0.464 0 CA-C-N 115.537 -0.756 . . . . 0.0 109.89 178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' LEU . . . . . 0.676 HD13 HD23 ' B' ' 40' ' ' LEU . 2.2 tp -41.79 -53.4 3.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.497 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' GLN . . . . . 0.42 ' HG3' ' OH ' ' B' ' 65' ' ' TYR . 82.2 mt-30 -49.6 -36.19 23.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.103 0.477 . . . . 0.0 110.438 179.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLU . . . . . 0.439 ' HA ' ' HG3' ' B' ' 106' ' ' GLN . 0.1 OUTLIER -78.29 -42.37 31.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.264 178.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ILE . . . . . 0.536 HD11 ' HG2' ' B' ' 100' ' ' MET . 1.7 mt -59.34 -23.88 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' MET . . . . . 0.482 ' HE1' HG21 ' A' ' 429' ' ' VAL . 3.2 mmt -79.69 -41.23 27.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.197 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLN . . . . . 0.439 ' HG3' ' HA ' ' B' ' 103' ' ' GLU . 2.7 mt-30 -64.76 -24.82 67.68 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -73.13 -31.41 64.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.105 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -116.99 20.64 13.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.222 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 50.83 24.38 1.75 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.087 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ILE . . . . . 0.845 HD13 ' HB3' ' B' ' 60' ' ' LEU . 25.0 mt -56.45 161.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ASN . . . . . 0.549 ' N ' HG22 ' B' ' 110' ' ' ILE . 2.7 m120 -89.31 126.33 35.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.892 0.377 . . . . 0.0 111.403 -179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' VAL . . . . . 0.64 HG12 ' HB ' ' A' ' 429' ' ' VAL . 6.1 m -143.95 54.28 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.92 176.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 428' ' ' THR . 28.0 m -44.22 99.72 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.725 -0.67 . . . . 0.0 111.445 -178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' GLU . . . . . 0.467 ' HA ' ' HA ' ' A' ' 427' ' ' VAL . 3.7 mt-10 -89.83 129.18 36.25 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.17 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' GLU . . . . . 0.548 ' O ' HG23 ' B' ' 117' ' ' VAL . 14.5 mt-10 -88.38 -65.53 0.18 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.219 -177.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' PRO . . . . . 0.495 ' CD ' ' HB2' ' B' ' 115' ' ' GLU . 44.0 Cg_endo -66.27 116.02 3.81 Favored 'Trans proline' 0 CA--C 1.514 -0.495 0 C-N-CA 122.351 2.034 . . . . 0.0 112.086 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 115' ' ' GLU . 1.1 t -146.65 34.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.309 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER 41.1 96.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 114.472 -1.24 . . . . 0.0 111.722 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -96.23 -178.12 4.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' B' ' 122' ' ' ASN . 32.2 mtt180 -143.44 129.36 19.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' ASN . . . . . . . . . . . . . 6.8 m120 61.7 -80.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . 0.406 ' N ' ' O ' ' B' ' 120' ' ' ARG . 13.8 t30 179.43 119.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' HIS . . . . . . . . . . . . . 38.6 t60 -86.23 -49.98 7.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -79.42 165.67 22.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' THR . . . . . . . . . . . . . 33.4 p -128.21 140.17 52.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.1 160.69 15.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.821 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.97 115.14 13.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.21 -49.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.043 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' VAL . . . . . 0.404 HG22 ' H ' ' B' ' 129' ' ' VAL . 5.9 m -84.39 154.88 63.05 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -73.77 153.39 99.13 Favored 'Cis proline' 0 C--N 1.35 0.619 0 C-N-CA 123.496 -1.46 . . . . 0.0 112.499 0.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -176.88 6.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.78 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' THR . . . . . . . . . . . . . 1.7 t -158.54 142.63 11.32 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.76 132.75 19.09 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.563 2.175 . . . . 0.0 112.367 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ARG . . . . . . . . . . . . . 42.5 mtt85 -83.17 -34.13 26.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' THR . . . . . . . . . . . . . 2.2 m 66.04 79.25 0.24 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo . . . . . 0 C--O 1.249 1.045 0 C-N-CA 122.606 2.204 . . . . 0.0 112.334 -179.913 . . . . . . . . 0 0 . 1 stop_ save_