data_1zgu_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 1zgu _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 core ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.273 0.558 . . . . 24.59 111.333 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.53 147.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.736 -0.666 . . . . 24.59 110.143 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.3 m -155.4 150.86 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.837 -0.431 . . . . 24.59 109.837 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.454 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 15.3 p90 -157.0 173.54 16.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.33 -0.248 . . . . 24.59 110.33 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 C-N-CA 120.687 -0.768 . . . . 24.59 111.798 -179.841 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.236 0.353 0 CA-C-O 121.241 0.543 . . . . 40.81 110.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.16 147.95 29.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.631 -0.713 . . . . 24.59 111.252 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.44 138.21 52.0 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.785 -0.82 . . . . 26.25 108.785 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.81 145.68 16.86 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.627 -0.797 . . . . 24.59 111.693 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 ttp -130.89 124.13 30.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 24.59 110.772 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.52 120.77 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 24.59 110.069 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -85.8 107.68 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.313 -0.625 . . . . 24.59 109.313 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.515 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.35 129.87 19.78 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.359 -0.837 . . . . 24.59 114.205 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.26 133.54 26.74 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.001 2.468 . . . . 24.59 112.442 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.44 161.57 23.49 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.68 2.253 . . . . 24.59 112.377 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 71.24 10.08 6.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.495 0.718 . . . . 32.61 112.461 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -124.31 -177.5 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 24.59 109.702 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -77.18 -6.27 52.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.283 0.563 . . . . 24.59 110.215 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.515 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 31.0 m-85 -107.49 13.62 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.704 -0.68 . . . . 24.59 109.541 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -57.45 123.81 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.65 . . . . 37.17 112.349 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 59.58 29.67 19.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.535 -0.757 . . . . 30.81 111.547 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -109.35 110.41 21.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.866 0.365 . . . . 25.62 110.303 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -84.98 100.74 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.172 0.51 . . . . 24.59 110.064 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.437 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 54.5 m-85 -90.72 138.97 31.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 24.59 111.02 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -111.89 139.22 47.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.812 -0.631 . . . . 24.59 110.321 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.75 162.25 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.115 -0.493 . . . . 24.59 110.974 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -122.58 125.19 45.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.533 -0.758 . . . . 33.44 109.081 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.94 130.29 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.094 0.473 . . . . 24.59 111.371 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -122.56 109.01 13.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 42.22 109.792 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 m -86.23 117.74 25.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.951 -0.568 . . . . 25.59 110.271 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.39 -178.9 40.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.156 -0.545 . . . . 26.42 113.013 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.29 -19.33 50.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.097 2.532 . . . . 31.44 112.391 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.96 -0.5 57.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.171 -0.468 . . . . 44.64 111.619 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.538 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 38.3 t80 -67.09 141.26 96.32 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.68 -0.489 . . . . 29.6 109.68 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.538 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 65.3 Cg_endo -96.19 15.51 37.31 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 124.369 -1.096 . . . . 27.94 113.729 0.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.89 -35.88 81.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.96 0.41 . . . . 36.76 110.55 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.67 151.98 42.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.747 -0.66 . . . . 30.58 110.577 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' TRP . 13.7 Cg_exo -66.98 133.41 31.02 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 28.58 112.125 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.58 171.08 18.12 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.582 2.188 . . . . 24.59 112.01 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -90.56 117.23 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.179 -0.304 . . . . 29.16 110.179 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.5 t -120.53 134.19 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.409 -0.36 . . . . 24.59 110.807 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -149.08 151.28 34.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.437 -0.347 . . . . 41.41 110.551 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -88.11 145.3 26.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 24.59 110.446 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.52 -43.12 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.202 -0.666 . . . . 24.59 109.202 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.04 143.88 29.46 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.348 -0.842 . . . . 24.59 109.915 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 70.0 mttt -62.76 125.01 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.004 0.43 . . . . 35.04 111.329 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.437 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 13.0 tt -144.71 138.16 22.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.684 -0.689 . . . . 24.59 110.751 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -102.11 94.96 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.849 -0.797 . . . . 24.59 108.849 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.6 ttt -140.75 140.33 34.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.344 -0.844 . . . . 24.59 109.351 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.23 124.74 20.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 27.45 110.906 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.77 -10.78 52.88 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.966 -0.635 . . . . 24.59 112.147 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.43 127.26 57.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.227 -0.286 . . . . 24.59 110.227 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -66.75 141.72 57.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 26.32 109.932 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -84.52 -12.61 53.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.274 0.842 . . . . 24.59 113.274 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -106.91 -44.13 4.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.106 0.41 . . . . 31.16 112.106 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -99.48 -26.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.84 0.353 . . . . 30.09 111.514 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.83 5.26 88.14 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.474 -0.87 . . . . 25.64 111.769 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -66.75 135.4 53.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.696 0.284 . . . . 38.85 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.64 139.16 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.99 -0.55 . . . . 25.28 109.944 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.496 ' OD2' ' HG2' ' A' ' 106' ' ' ARG . 24.9 t70 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 34.12 110.923 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.02 25.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.987 0.736 . . . . 29.16 112.987 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.496 ' HG2' ' OD2' ' A' ' 104' ' ' ASP . 26.9 ptt-85 -68.05 -9.04 42.85 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.504 0.557 . . . . 52.63 112.504 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.4 m -87.96 -32.76 18.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.757 0.313 . . . . 34.05 110.701 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.0 mm -99.59 121.63 54.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.285 -0.416 . . . . 26.63 110.267 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.49 -48.78 12.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.637 2.891 . . . . 26.05 114.297 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.68 -23.99 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 112.681 0.623 . . . . 25.84 112.681 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.1 mt -87.65 -38.01 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 24.59 110.363 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.83 -47.87 67.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 28.65 109.961 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -108.62 58.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 39.1 109.349 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' PRO . 68.6 t-105 -68.42 145.34 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 29.08 111.593 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -134.38 149.38 50.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.187 -0.915 . . . . 45.36 108.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -65.63 -11.99 49.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.779 0.288 . . . . 37.64 111.779 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -7.47 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 26.71 110.904 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -83.55 176.15 9.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.874 0.368 . . . . 24.59 110.906 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -155.36 176.19 12.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 24.59 109.807 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.38 -31.44 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.087 -0.708 . . . . 24.59 109.087 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.454 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.3 ttpt -56.17 -51.71 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 24.78 110.617 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.67 -38.07 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 24.59 111.273 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.14 -51.89 67.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 24.59 111.167 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.77 -41.83 98.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 24.59 110.867 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.45 -40.2 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 24.59 110.726 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -65.59 -43.79 88.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 30.3 110.218 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 131' ' ' MET . 68.2 mt -59.49 -46.08 89.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 24.59 110.121 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -64.96 -34.37 78.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 24.59 110.191 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 27.05 109.828 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.1 mt -70.82 -21.15 62.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.729 -0.669 . . . . 24.59 111.119 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 59.0 mtt -72.43 -26.11 61.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.293 0.568 . . . . 24.59 109.996 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.47 -8.12 59.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.743 -0.662 . . . . 24.59 110.568 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 m -69.71 146.3 51.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 25.92 110.424 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -55.3 -36.21 65.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 29.78 112.583 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.27 0.841 . . . . 28.22 113.27 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -118.84 -36.91 3.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.332 0.493 . . . . 24.59 112.332 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 14.1 ptm -57.82 -21.9 44.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.21 0.818 . . . . 24.59 113.21 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -111.19 25.74 11.42 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.967 -0.293 . . . . 35.29 111.689 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 33.6 mt -92.94 123.0 62.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.109 -0.33 . . . . 24.59 110.109 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.66 119.87 7.4 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.783 2.322 . . . . 24.59 111.732 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -95.83 140.58 22.37 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.139 -0.482 . . . . 24.59 111.405 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 168.55 23.17 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.803 2.336 . . . . 26.0 111.297 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.98 121.72 2.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 30.09 113.393 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.0 126.72 28.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 46.96 110.659 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.66 -21.13 9.21 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.763 -0.732 . . . . 36.35 112.051 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.29 133.95 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.025 0.44 . . . . 36.19 110.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.41 156.98 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.968 -0.56 . . . . 36.38 110.553 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 58.8 m-85 -75.52 -9.37 58.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 44.37 110.821 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.88 146.51 27.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.024 -0.732 . . . . 53.87 109.024 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.988 -1.006 . . . . 55.71 110.038 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.8 ptt? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.894 0.378 . . . . 17.17 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -96.08 124.52 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.879 -0.601 . . . . 21.89 110.316 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -118.97 155.79 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.585 -0.524 . . . . 13.17 109.585 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.658 0.266 . . . . 13.17 110.647 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.6 t -94.81 103.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.325 -0.62 . . . . 13.17 109.325 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -102.57 121.41 42.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.104 -0.498 . . . . 20.55 111.08 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.0 m -86.05 159.83 19.47 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.181 -0.674 . . . . 13.17 109.181 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.2 -18.63 49.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.865 0.364 . . . . 19.31 111.346 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -25.4 63.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 23.14 110.741 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.03 -36.87 3.06 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.948 -0.644 . . . . 19.74 112.798 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.207 0.527 . . . . 21.93 111.8 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -119.63 117.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 13.17 109.701 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.6 pt -105.91 150.11 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.823 0.344 . . . . 17.08 110.74 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 130.65 44.34 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.965 -0.562 . . . . 16.3 110.129 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.37 127.49 49.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.56 -0.291 . . . . 15.88 110.665 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -97.58 94.54 7.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.887 -0.597 . . . . 28.9 109.67 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.504 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.8 m -133.91 169.55 21.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.431 -0.35 . . . . 13.17 111.075 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -109.93 153.41 43.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.444 -0.576 . . . . 18.17 109.444 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.2 Cg_exo -53.99 -30.49 59.39 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.906 2.404 . . . . 13.17 113.572 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -6.36 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.499 0.555 . . . . 13.17 112.499 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.34 145.43 33.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 18.03 110.487 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.16 151.36 22.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 13.17 110.976 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -60.15 -32.8 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 13.17 110.378 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 36.51 110.155 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.45 -37.25 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 25.66 109.546 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.69 -44.43 85.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.545 -0.752 . . . . 13.17 109.703 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.8 mttt -59.57 -42.91 93.54 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.84 -0.618 . . . . 15.47 110.751 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -37.29 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.757 -0.656 . . . . 13.17 111.066 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HZ3' HG13 ' B' ' 17' ' ' VAL . 89.7 mttt -68.16 -37.41 80.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.127 -0.488 . . . . 24.98 109.822 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.9 mt -68.57 -36.2 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.105 -0.702 . . . . 13.17 109.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.65 -30.84 71.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.533 -0.758 . . . . 14.76 110.714 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -75.55 -45.12 39.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 26.29 112.152 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -87.92 -36.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.12 0.785 . . . . 30.06 113.12 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -96.41 -38.73 9.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.977 0.362 . . . . 25.19 111.977 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.32 17.74 33.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.479 -0.867 . . . . 13.17 112.378 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.31 117.16 67.67 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.353 -0.24 . . . . 13.17 110.353 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.1 124.56 16.6 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.951 2.434 . . . . 13.17 112.513 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.421 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.2 Cg_exo -54.04 -29.58 55.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.727 2.952 . . . . 13.17 113.275 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.19 -34.28 71.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.845 -0.616 . . . . 35.55 111.992 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -101.56 20.18 16.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.899 0.38 . . . . 20.52 111.387 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -101.66 126.51 48.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.988 0.423 . . . . 13.17 110.663 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -134.83 108.91 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 36.39 109.358 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -86.97 135.59 33.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.151 0.501 . . . . 13.17 111.953 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -120.56 130.85 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.157 -0.929 . . . . 13.9 109.331 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.417 ' HB3' HD23 ' B' ' 50' ' ' LEU . 75.5 t80 -152.64 143.69 23.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.677 -0.238 . . . . 13.17 110.746 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.13 26.01 11.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.842 -0.617 . . . . 13.17 112.271 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 25.3 65.04 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.956 -0.64 . . . . 13.93 113.039 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -146.01 166.0 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.809 0.338 . . . . 13.17 110.659 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.75 139.89 30.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.558 . . . . 23.23 110.368 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.417 HD23 ' HB3' ' B' ' 45' ' ' PHE . 23.0 mt -97.27 159.54 14.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.347 -0.388 . . . . 13.17 110.103 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -99.32 -175.96 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.796 0.332 . . . . 33.44 111.015 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -99.26 -53.29 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 28.37 111.826 -179.335 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.6 39.16 2.13 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.924 -0.58 . . . . 15.0 113.864 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.448 ' HB2' ' OH ' ' B' ' 59' ' ' TYR . 20.7 mmt180 -130.38 160.23 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.213 -0.662 . . . . 25.5 109.213 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 68.2 p -94.49 169.07 10.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.73 0.3 . . . . 13.17 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 22.9 mt -67.38 -28.7 68.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.603 -0.518 . . . . 13.17 109.603 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -21.6 62.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.725 -0.671 . . . . 13.59 110.749 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -64.38 -29.41 70.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.274 -0.421 . . . . 13.17 111.262 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' B' ' 54' ' ' ARG . 3.1 m-85 -109.39 7.92 25.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 13.17 110.293 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 60.21 45.92 10.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.837 -0.619 . . . . 25.45 110.822 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.407 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.9 mt -86.41 122.8 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.948 -0.39 . . . . 14.6 109.948 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -165.58 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.085 -0.507 . . . . 33.23 110.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -79.79 163.23 24.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.985 -0.552 . . . . 25.97 110.741 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 55.51 28.43 11.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 32.61 111.771 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -93.14 127.31 38.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.794 0.33 . . . . 13.17 110.356 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -87.21 91.35 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 13.17 110.924 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.66 153.81 34.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.709 -0.678 . . . . 13.17 109.278 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -110.07 119.49 39.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.01 0.433 . . . . 16.3 111.055 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -96.03 103.56 15.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.627 -0.715 . . . . 13.17 109.691 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.423 HG21 HD11 ' A' ' 56' ' ' ILE . 57.3 t . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.648 -0.706 . . . . 13.17 109.789 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.354 . . . . 24.59 111.608 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.42 143.44 14.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 24.59 112.243 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -149.18 147.15 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 24.59 109.486 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.42 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 41.9 p90 -153.52 171.23 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.661 0.267 . . . . 24.59 110.73 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.122 -0.791 . . . . 24.59 111.122 179.573 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.875 0.369 . . . . 40.81 111.656 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -116.83 145.05 43.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 24.59 111.144 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -108.95 120.5 42.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.569 -0.741 . . . . 26.25 110.224 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.4 15.06 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.777 -0.929 . . . . 24.59 110.777 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.9 ttp -128.84 128.48 43.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.334 0.567 . . . . 24.59 110.658 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.14 120.23 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.836 -0.62 . . . . 24.59 110.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.89 117.67 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.663 -0.866 . . . . 24.59 108.663 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.698 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.42 126.4 15.68 Favored Glycine 0 N--CA 1.449 -0.445 0 O-C-N 123.683 0.614 . . . . 24.59 113.394 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.99 136.0 74.13 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.141 2.561 . . . . 24.59 112.427 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 39.2 Cg_exo -58.19 159.58 18.47 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.757 2.304 . . . . 24.59 112.435 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 21.7 mmm180 73.88 -35.79 0.32 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.624 0.769 . . . . 32.61 112.466 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -74.04 177.15 5.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.163 -0.31 . . . . 24.59 110.163 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.71 -4.36 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.099 0.476 . . . . 24.59 110.491 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.698 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 54.3 m-85 -98.97 3.15 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 24.59 110.305 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -52.36 128.81 26.61 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.558 0.577 . . . . 37.17 112.558 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.5 t30 62.67 22.82 13.57 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.27 -0.877 . . . . 30.81 111.839 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 36.2 mtt180 -103.47 108.63 19.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.962 -0.461 . . . . 25.62 110.236 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.76 102.89 11.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.011 -0.541 . . . . 24.59 109.729 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 48.7 m-85 -95.58 139.38 31.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 24.59 111.778 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -107.16 137.96 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 24.59 109.79 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.15 154.82 47.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.407 -0.36 . . . . 24.59 111.122 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -115.56 125.78 53.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.21 -0.663 . . . . 33.44 109.21 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.26 124.21 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.353 -0.385 . . . . 24.59 110.512 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -115.42 103.84 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 42.22 110.3 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.6 m -83.98 110.68 18.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.765 -0.652 . . . . 25.59 110.331 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.53 -178.07 39.29 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.942 -0.647 . . . . 26.42 112.757 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.31 -14.59 28.33 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.915 2.41 . . . . 31.44 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -88.15 -1.27 57.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.462 . . . . 44.64 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.405 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 72.1 t80 -68.54 140.39 92.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 29.6 109.535 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 69.3 Cg_endo -97.69 21.47 26.16 Favored 'Cis proline' 0 N--CA 1.459 -0.532 0 C-N-CA 124.381 -1.091 . . . . 27.94 113.426 0.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -69.67 -37.27 76.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 36.76 109.906 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 144.59 31.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.464 -0.789 . . . . 30.58 110.246 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.22 132.51 34.24 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.762 2.308 . . . . 28.58 112.663 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.45 160.88 43.69 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.768 2.312 . . . . 24.59 112.143 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.78 116.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 29.16 110.288 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.84 130.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.394 -0.366 . . . . 24.59 110.801 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -143.85 149.79 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.541 -0.3 . . . . 41.41 110.721 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.66 143.78 27.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.122 -0.49 . . . . 24.59 110.629 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.23 -50.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.187 0.517 . . . . 24.59 110.076 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 150.24 31.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.574 -0.739 . . . . 24.59 110.057 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 77.1 mttt -67.03 123.32 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.964 0.411 . . . . 35.04 111.172 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.0 tt -145.02 135.4 19.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.474 -0.784 . . . . 24.59 110.496 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -101.57 97.13 7.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 24.59 109.358 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.8 ttt -139.14 139.63 37.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.528 -0.76 . . . . 24.59 109.767 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -56.93 110.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.297 0.373 . . . . 27.45 111.622 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.04 -11.21 20.37 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 24.59 112.652 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.45 126.32 57.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.228 -0.286 . . . . 24.59 110.228 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -63.46 138.16 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 26.32 110.379 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -86.77 -3.47 59.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.711 0.634 . . . . 24.59 112.711 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 m -112.65 -53.95 2.66 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.191 -0.318 . . . . 31.16 111.574 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 p -89.59 -29.98 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 30.09 110.838 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.11 74.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.877 -0.678 . . . . 25.64 111.803 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -67.01 145.44 55.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.76 0.314 . . . . 38.85 110.637 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -98.3 126.5 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 25.28 110.326 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.451 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 23.3 t0 -74.04 121.76 21.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 34.12 110.445 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.599 -0.728 . . . . 29.16 112.635 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 25.2 ptt-85 -81.89 -1.61 48.37 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.448 -0.501 . . . . 52.63 111.584 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.4 m -99.93 -15.29 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 34.05 109.966 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 mm -111.11 119.69 45.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.791 -0.641 . . . . 26.63 109.856 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.95 -49.8 14.27 Favored 'Trans proline' 0 CA--C 1.534 0.507 0 C-N-CA 123.398 2.732 . . . . 26.05 114.271 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.47 -16.21 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.619 0.599 . . . . 25.84 112.619 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 mt -96.02 -40.62 9.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.711 0.291 . . . . 24.59 110.309 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.95 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.299 0.571 . . . . 28.65 109.709 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -111.33 57.43 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 39.1 108.932 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -61.54 143.23 56.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 29.08 111.465 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -129.05 147.24 50.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.733 -0.84 . . . . 45.36 108.733 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -66.55 -9.03 30.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.441 . . . . 37.64 111.385 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -6.6 59.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 26.71 111.131 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -89.82 171.66 9.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 24.59 110.583 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.5 p -148.92 178.9 8.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 24.59 109.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 22.1 mt -59.52 -40.27 81.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.502 0.667 . . . . 24.59 109.948 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.42 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 25.8 ttpt -58.37 -42.45 87.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.886 -1.052 . . . . 24.78 110.953 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.08 -41.81 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 24.59 110.745 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 44.1 t -63.0 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 24.59 110.583 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.22 -43.13 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 24.59 110.739 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.55 -39.48 91.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 24.59 110.734 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 129' ' ' ARG . 10.0 tp10 -63.13 -44.61 95.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.041 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 95.7 mt -60.12 -44.2 95.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 24.59 110.406 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -66.12 -32.99 74.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.001 0.429 . . . . 24.59 110.276 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 126' ' ' GLU . 69.1 ttp85 -68.15 -39.11 82.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.482 -0.562 . . . . 27.05 109.482 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.23 -19.98 60.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.427 -0.806 . . . . 24.59 110.952 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.5 mtt -71.38 -24.28 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.41 0.624 . . . . 24.59 109.677 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.7 mtm -90.52 3.44 53.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.764 . . . . 24.59 110.507 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.94 144.2 52.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.738 -0.467 . . . . 25.92 109.738 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -53.81 -39.14 65.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.162 0.431 . . . . 29.78 112.162 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -84.31 14.08 4.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.355 0.502 . . . . 28.22 112.355 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -135.06 -45.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 24.59 111.594 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.9 ptm -54.56 -22.71 14.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.765 1.024 . . . . 24.59 113.765 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.02 13.58 19.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.008 0.373 . . . . 35.29 112.008 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.19 129.4 82.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.886 -0.325 . . . . 24.59 110.528 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.83 117.84 4.59 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 24.59 111.174 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -89.54 152.38 47.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.199 -0.455 . . . . 24.59 111.579 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.86 166.62 23.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.917 2.411 . . . . 26.0 110.559 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -49.44 119.88 5.11 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.429 2.086 . . . . 30.09 112.277 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.78 134.62 57.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.974 -0.557 . . . . 46.96 110.677 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.03 -26.9 12.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.316 -0.714 . . . . 36.35 111.316 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -69.58 140.8 53.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 36.19 110.62 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 162.69 18.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.201 -0.454 . . . . 36.38 109.907 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 43.6 m-85 -80.66 -13.46 59.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.371 0.605 . . . . 44.37 110.23 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.793 . . . . 53.87 109.754 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.194 -0.907 . . . . 55.71 110.716 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.18 -0.304 . . . . 17.17 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -98.69 128.63 45.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.294 0.569 . . . . 21.89 111.18 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -124.21 165.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.794 -0.639 . . . . 13.17 109.479 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.6 m-85 -117.38 118.07 31.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.779 0.323 . . . . 13.17 110.967 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.401 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 12.1 t -99.42 108.13 21.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.731 -0.84 . . . . 13.17 108.731 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -110.94 129.58 55.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 20.55 111.304 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -84.2 167.47 16.65 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.442 -0.577 . . . . 13.17 109.442 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.44 -26.84 67.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.101 0.477 . . . . 19.31 110.239 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -32.08 68.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.515 -0.766 . . . . 23.14 110.949 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.65 -21.67 4.72 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.416 -0.897 . . . . 19.74 113.309 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -60.03 122.26 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.006 0.431 . . . . 21.93 110.765 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -116.37 129.28 56.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.815 -0.629 . . . . 13.17 110.427 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.401 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 31.8 pt -124.04 142.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 17.08 110.603 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.38 140.78 29.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.267 -0.424 . . . . 16.3 110.344 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -136.41 137.56 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.37 . . . . 15.88 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.11 97.95 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.989 -0.55 . . . . 28.9 109.565 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.23 171.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.505 . . . . 13.17 111.079 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -106.03 151.51 40.1 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 18.17 109.685 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.96 -19.77 64.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.444 2.096 . . . . 13.17 112.274 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -93.16 5.51 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 13.17 111.391 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.2 148.21 30.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 18.03 110.108 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -84.72 153.89 22.79 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.877 -0.601 . . . . 13.17 110.775 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.68 -34.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 13.17 110.004 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -62.43 -40.25 95.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.549 . . . . 36.51 110.354 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -66.34 -42.48 88.04 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.554 -0.536 . . . . 25.66 109.554 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.98 -45.12 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 13.17 110.152 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.97 -40.9 97.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.633 -0.712 . . . . 15.47 110.703 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.89 86.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.053 -0.521 . . . . 13.17 110.791 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.74 -39.26 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.171 -0.468 . . . . 24.98 109.918 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.03 -38.37 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 13.17 109.845 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -68.62 -19.04 64.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 14.76 110.72 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -81.18 -41.62 22.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.471 -0.331 . . . . 26.29 111.53 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -95.06 -32.1 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.464 0.542 . . . . 30.06 112.464 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -100.76 -39.48 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.588 0.232 . . . . 25.19 111.572 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 18.98 44.05 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.631 -0.795 . . . . 13.17 112.754 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.53 117.99 68.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.68 -0.306 . . . . 13.17 110.335 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.78 124.17 15.56 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.763 2.309 . . . . 13.17 112.314 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -49.04 -30.9 19.3 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.812 3.008 . . . . 13.17 113.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.0 -40.93 77.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 35.55 112.244 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -92.59 2.62 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 20.52 111.608 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -83.61 97.69 9.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.818 0.342 . . . . 13.17 111.148 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.506 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 10.3 tpp180 -96.83 96.32 8.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.58 -0.896 . . . . 36.39 108.58 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.1 mt -89.07 127.5 35.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 13.17 112.205 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 mm -119.17 136.97 54.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 115.264 -0.88 . . . . 13.9 109.614 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.583 ' CE2' HG12 ' B' ' 61' ' ' ILE . 88.5 t80 -152.59 137.38 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.613 0.244 . . . . 13.17 110.892 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 30.26 13.88 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.907 -0.588 . . . . 13.17 112.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.74 22.62 78.05 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.95 -0.643 . . . . 13.93 112.799 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -136.61 151.77 49.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.585 0.231 . . . . 13.17 110.441 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.91 131.46 34.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.107 -0.497 . . . . 23.23 109.713 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.457 HD22 ' HB3' ' B' ' 45' ' ' PHE . 39.7 mt -84.35 122.45 28.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.718 0.294 . . . . 13.17 111.756 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.468 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 21.6 tt0 -78.33 138.41 38.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 33.44 109.724 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.3 -30.27 70.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.588 0.588 . . . . 28.37 112.588 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . 0.468 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -93.06 13.18 68.29 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 15.0 113.325 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.425 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.2 mmp_? -103.96 168.99 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.085 0.443 . . . . 25.5 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.9 p -110.68 165.73 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.619 . . . . 13.17 110.115 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 mt -63.85 -33.26 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 13.17 111.669 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -24.49 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.683 -0.235 . . . . 13.59 111.6 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.425 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 58.5 m-20 -63.49 -32.22 73.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.106 0.479 . . . . 13.17 111.014 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -105.74 9.12 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 13.17 111.333 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.09 48.3 10.82 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.37 0.605 . . . . 25.45 110.784 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' B' ' 45' ' ' PHE . 49.3 mt -85.82 119.4 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.016 -0.538 . . . . 14.6 110.113 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -97.82 -176.09 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 33.23 110.753 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -76.97 159.6 29.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.97 109.998 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.24 12.18 6.93 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.571 0.545 . . . . 32.61 111.974 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -76.77 150.18 36.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 13.17 109.676 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -113.83 103.85 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.328 0.585 . . . . 13.17 111.092 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.46 156.37 35.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.403 -0.817 . . . . 13.17 110.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -112.62 110.77 21.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.875 -0.417 . . . . 16.3 109.875 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -92.14 104.78 17.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 13.17 110.575 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.506 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 40.7 t . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.417 -0.811 . . . . 13.17 109.457 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.9 p . . . . . 0 C--O 1.234 0.281 0 CA-C-O 121.058 0.456 . . . . 24.59 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 m -61.54 131.37 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.601 . . . . 24.59 111.012 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -139.13 138.54 37.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.923 -0.581 . . . . 24.59 110.36 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -138.67 160.3 39.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.925 -0.58 . . . . 24.59 110.224 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 121.022 -0.609 . . . . 24.59 111.992 179.77 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 110.081 -0.34 . . . . 40.81 110.081 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -124.93 140.11 53.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 24.59 111.538 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.6 m -92.39 116.58 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.499 -0.773 . . . . 26.25 110.519 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.45 144.91 18.6 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.481 -0.866 . . . . 24.59 111.709 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ttp -138.06 128.1 25.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.11 -0.33 . . . . 24.59 110.11 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.62 130.33 69.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.11 0.481 . . . . 24.59 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -84.97 118.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.628 -0.714 . . . . 24.59 109.15 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.34 117.32 3.71 Favored Glycine 0 N--CA 1.452 -0.254 0 O-C-N 123.622 0.576 . . . . 24.59 113.226 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.92 126.77 22.7 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.195 2.597 . . . . 24.59 112.583 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -63.03 156.59 53.8 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.312 2.008 . . . . 24.59 112.203 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 68.19 21.31 8.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.772 -0.649 . . . . 32.61 111.918 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.2 p -133.59 178.9 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.758 -0.46 . . . . 24.59 109.758 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -79.12 -2.61 41.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 24.59 110.851 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.454 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 60.7 m-85 -105.96 6.24 31.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.36 0.6 . . . . 24.59 109.739 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.56 138.75 57.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.257 -0.883 . . . . 37.17 113.275 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 t30 62.66 19.59 11.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.809 -1.087 . . . . 30.81 112.754 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -105.87 144.36 32.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.991 0.424 . . . . 25.62 110.662 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.417 HG21 HD12 ' A' ' 67' ' ' ILE . 21.0 mt -107.72 106.28 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.521 -0.548 . . . . 24.59 109.521 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.492 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.0 m-85 -94.92 132.15 40.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 24.59 111.818 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.13 129.04 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.401 -0.818 . . . . 24.59 109.933 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -121.94 147.27 46.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.018 0.437 . . . . 24.59 111.364 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -124.62 105.87 9.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.886 -0.783 . . . . 33.44 108.886 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.96 130.89 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 24.59 111.046 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.02 117.62 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.135 -0.484 . . . . 42.22 110.287 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.0 m -104.5 99.75 9.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 25.59 109.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.33 -168.94 15.19 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.171 -0.538 . . . . 26.42 113.625 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.66 -12.27 30.93 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.418 2.746 . . . . 31.44 112.885 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -91.14 -8.56 48.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.62 0.248 . . . . 44.64 110.857 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 83.3 t80 -73.75 140.69 78.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 29.6 109.576 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 16.2 Cg_endo -96.86 18.33 31.91 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 124.7 -0.958 . . . . 27.94 113.202 -0.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.74 -35.1 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.154 0.502 . . . . 36.76 110.335 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.49 156.92 46.93 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.686 -0.688 . . . . 30.58 109.707 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -65.85 130.23 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.613 2.209 . . . . 28.58 112.537 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.07 169.52 21.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.59 2.193 . . . . 24.59 111.758 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -88.2 114.54 24.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.683 0.278 . . . . 29.16 110.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.17 132.39 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 24.59 110.947 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -150.77 150.87 31.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 41.41 110.356 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -96.29 146.01 25.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 24.59 110.505 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.0 t -95.79 -37.99 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.284 0.564 . . . . 24.59 109.522 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.88 144.07 26.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.52 -0.764 . . . . 24.59 109.843 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 80.1 mttt -65.04 119.69 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 35.04 110.943 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.492 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.8 tt -134.53 130.89 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.706 -0.679 . . . . 24.59 110.653 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -100.28 84.96 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.104 -0.702 . . . . 24.59 109.104 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.8 ttt -133.8 141.99 47.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.214 -0.903 . . . . 24.59 109.761 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.42 113.71 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 27.45 111.397 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.9 -25.6 6.75 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 24.59 112.199 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.74 129.33 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.437 . . . . 24.59 110.653 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -66.4 138.29 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.677 -0.692 . . . . 26.32 109.867 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -81.52 -14.26 57.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.879 0.696 . . . . 24.59 112.879 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 m -100.15 -55.83 2.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.814 -0.354 . . . . 31.16 111.952 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -86.93 -37.0 18.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.777 0.322 . . . . 30.09 111.576 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.13 10.42 57.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.596 -0.811 . . . . 25.64 112.088 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mtp -76.87 149.29 36.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.304 -0.258 . . . . 38.85 110.304 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.6 t -99.58 129.41 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.387 -0.369 . . . . 25.28 111.182 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.39 116.15 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 34.12 110.045 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.78 75.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 29.16 112.207 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -67.55 -26.7 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 52.63 111.705 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -82.75 -18.5 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.74 0.305 . . . . 34.05 111.401 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.401 ' HB ' ' HB2' ' A' ' 111' ' ' LEU . 33.6 mm -101.26 120.79 53.98 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.247 -0.279 . . . . 26.63 110.247 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -50.17 -51.58 10.66 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.377 2.718 . . . . 26.05 114.148 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.6 m -69.28 -16.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.768 0.655 . . . . 25.84 112.768 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.401 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 62.7 mt -93.87 -41.67 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.397 . . . . 24.59 110.145 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.66 80.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.306 0.574 . . . . 28.65 109.658 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -109.32 44.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.891 -0.781 . . . . 39.1 108.891 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -60.65 140.4 57.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.05 -0.977 . . . . 29.08 112.429 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -130.66 146.14 52.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.527 -1.215 . . . . 45.36 108.018 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 15.5 p-10 -68.83 -1.65 7.68 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.077 0.399 . . . . 37.64 112.077 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -4.93 57.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.142 0.496 . . . . 26.71 110.082 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -93.08 167.32 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 24.59 110.606 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p -150.41 -176.15 5.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.847 -0.615 . . . . 24.59 110.222 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 9.0 mt -57.75 -40.37 75.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.216 -0.447 . . . . 24.59 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 38.2 ttpt -55.75 -46.94 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.655 . . . . 24.78 110.946 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.64 -42.9 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 24.59 111.04 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.2 t -59.91 -48.57 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 24.59 110.961 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.38 -41.96 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 24.59 111.031 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 21.7 mt-30 -66.04 -42.81 89.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 24.59 111.137 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.27 -43.77 90.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 30.3 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.53 -43.69 89.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 24.59 110.772 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -66.3 -33.72 76.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.437 -0.347 . . . . 24.59 110.772 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.51 -41.15 96.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.67 -0.493 . . . . 27.05 109.67 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.79 -18.22 62.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.746 . . . . 24.59 110.923 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.5 mtt -75.89 -22.25 56.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.262 0.553 . . . . 24.59 109.605 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.9 mtm -95.74 6.29 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.68 -0.691 . . . . 24.59 110.054 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.5 m -74.73 142.93 44.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.853 -0.612 . . . . 25.92 109.448 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -49.66 -39.1 35.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.981 0.734 . . . . 29.78 112.981 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -73.16 -17.79 61.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.347 0.869 . . . . 28.22 113.347 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -112.97 -37.48 4.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.596 0.591 . . . . 24.59 112.596 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 24.8 ptm -54.76 -20.7 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.695 0.998 . . . . 24.59 113.695 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -117.3 18.93 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.127 0.417 . . . . 35.29 112.127 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 20.9 mt -79.53 136.02 56.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 120.994 -0.282 . . . . 24.59 110.379 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 24.3 Cg_exo -63.16 109.51 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.547 2.164 . . . . 24.59 111.667 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -85.53 147.98 48.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 24.59 111.0 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.07 167.41 27.04 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.587 2.191 . . . . 26.0 111.031 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -44.82 128.42 8.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.161 2.574 . . . . 30.09 112.879 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.05 130.42 46.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.537 -0.756 . . . . 46.96 111.276 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.46 11.77 46.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.511 -0.852 . . . . 36.35 113.35 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -93.48 132.87 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.277 0.539 . . . . 36.19 110.268 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.4 p -109.98 160.0 16.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.811 0.338 . . . . 36.38 111.221 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 25.9 m-85 -83.39 -5.97 59.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 44.37 110.591 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -147.99 151.08 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.042 -0.526 . . . . 53.87 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.257 -0.877 . . . . 55.71 110.863 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.215 -0.291 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -92.18 126.74 37.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 21.89 111.493 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -124.94 171.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.098 -0.704 . . . . 13.17 109.098 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.565 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.8 m-85 -127.58 137.17 52.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.036 0.446 . . . . 13.17 110.862 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.06 115.68 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.078 -0.712 . . . . 13.17 109.078 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -112.27 128.14 56.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.508 -0.314 . . . . 20.55 110.928 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -88.29 -177.68 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 13.17 110.654 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -79.28 -6.24 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 19.31 111.223 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -5.89 44.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 23.14 110.273 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.71 -14.09 62.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 19.74 112.239 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -60.4 120.68 10.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 21.93 110.146 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -117.25 120.21 37.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.483 . . . . 13.17 110.58 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 pt -112.95 145.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 17.08 110.721 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -91.15 135.41 33.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.031 -0.531 . . . . 16.3 109.997 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 tp -137.1 144.88 43.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.168 -0.308 . . . . 15.88 110.168 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -114.81 117.73 31.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.186 0.517 . . . . 28.9 110.49 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.466 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.0 m -143.21 171.13 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.574 -0.739 . . . . 13.17 109.948 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 54.7 mm-40 -106.77 153.47 40.73 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.068 -0.345 . . . . 18.17 110.068 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.51 76.18 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.715 2.276 . . . . 13.17 113.2 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -82.21 -2.36 52.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 13.17 111.845 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.3 m-20 -70.89 143.7 50.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 18.03 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.4 p -83.28 150.91 25.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.547 -0.751 . . . . 13.17 110.205 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.96 -32.21 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.431 0.634 . . . . 13.17 109.591 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.74 -43.36 96.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.504 -0.771 . . . . 36.51 110.401 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.09 -35.84 82.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.048 0.452 . . . . 25.66 110.008 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.24 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.848 -0.615 . . . . 13.17 109.631 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.54 -39.93 89.69 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.968 -0.56 . . . . 15.47 110.391 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.64 98.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.727 -0.669 . . . . 13.17 110.805 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.836 -0.431 . . . . 24.98 109.836 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.19 -41.96 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 13.17 110.054 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -70.44 -28.53 65.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 14.76 110.384 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.72 -46.92 62.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 26.29 111.724 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -88.79 -36.31 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.983 0.734 . . . . 30.06 112.983 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -94.25 -58.47 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.766 0.317 . . . . 25.19 110.945 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.08 13.38 6.5 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.457 -0.878 . . . . 13.17 113.077 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -88.2 117.15 68.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 122.685 -0.303 . . . . 13.17 110.463 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.56 132.96 51.39 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.648 2.232 . . . . 13.17 112.157 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.72 -26.02 54.18 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.295 2.663 . . . . 13.17 113.217 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.43 -39.1 72.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.474 . . . . 35.55 111.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -101.74 14.09 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.342 . . . . 20.52 111.077 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.59 96.58 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 13.17 111.101 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -100.69 94.76 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.82 -0.807 . . . . 36.39 108.82 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -77.86 121.94 24.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.204 0.526 . . . . 13.17 111.03 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.49 126.61 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.333 -0.848 . . . . 13.9 109.774 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.438 ' HB3' HD21 ' B' ' 50' ' ' LEU . 90.4 t80 -158.43 151.15 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.599 -0.273 . . . . 13.17 110.647 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 23.45 13.67 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.968 -0.56 . . . . 13.17 112.041 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.46 16.57 80.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.913 -0.66 . . . . 13.93 112.679 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -140.67 177.67 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.894 0.378 . . . . 13.17 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -96.87 135.06 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 23.23 110.198 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' B' ' 45' ' ' PHE . 20.7 mt -89.22 122.43 32.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 13.17 110.208 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.37 150.54 25.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.991 -0.549 . . . . 33.44 110.538 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.21 -43.8 90.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.213 0.82 . . . . 28.37 113.213 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 35.43 2.66 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.999 -0.619 . . . . 15.0 114.076 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -127.91 167.35 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.426 -0.455 . . . . 25.5 110.029 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 p -108.05 170.86 7.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.432 -0.349 . . . . 13.17 110.639 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.98 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.981 0.42 . . . . 13.17 110.927 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -13.26 61.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 13.59 111.405 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -78.35 -18.47 55.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.697 0.284 . . . . 13.17 110.958 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.24 16.2 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 13.17 111.173 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 58.88 34.94 23.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.397 0.618 . . . . 25.45 111.271 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.7 mt -83.11 107.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.408 -0.589 . . . . 14.6 109.408 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -109.8 -166.75 1.12 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.923 -0.58 . . . . 33.23 110.289 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -68.59 154.56 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.51 -0.314 . . . . 25.97 110.635 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 69.24 -2.3 1.88 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.862 -0.608 . . . . 32.61 112.629 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -72.63 139.02 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.949 -0.389 . . . . 13.17 109.949 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 25.7 m -113.54 109.34 18.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.254 0.549 . . . . 13.17 110.563 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.77 149.6 26.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 13.17 110.498 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -95.65 104.78 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.572 -0.529 . . . . 16.3 109.572 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.59 102.19 13.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 13.17 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.771 -0.65 . . . . 13.17 110.763 -179.474 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 56' ' ' ILE . 37.1 p . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.211 0.529 . . . . 24.59 111.481 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 m -120.85 129.04 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.813 -0.63 . . . . 24.59 110.128 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.9 m -142.36 140.43 32.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 24.59 110.408 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -144.62 179.27 7.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.431 -0.349 . . . . 24.59 110.7 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 111.624 -0.59 . . . . 24.59 111.624 179.524 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.763 0.316 . . . . 40.81 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -122.69 151.82 41.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.996 -0.547 . . . . 24.59 111.007 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -112.5 141.48 46.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.307 -0.627 . . . . 26.25 109.307 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.68 145.53 17.57 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.753 -0.736 . . . . 24.59 111.489 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' MET . . . . . 0.405 ' SD ' HG21 ' A' ' 67' ' ' ILE . 2.7 ttp -135.2 124.96 25.36 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.832 -0.433 . . . . 24.59 109.832 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.97 126.66 68.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.121 -0.49 . . . . 24.59 110.408 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -89.39 107.47 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.834 -0.802 . . . . 24.59 108.834 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.537 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -49.98 137.17 23.55 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.811 -0.631 . . . . 24.59 114.415 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.43 140.72 37.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.229 2.62 . . . . 24.59 112.543 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.74 166.79 23.06 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.536 2.157 . . . . 24.59 112.198 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 71.12 14.64 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.797 -0.638 . . . . 32.61 111.189 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -134.4 -178.65 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.127 -0.694 . . . . 24.59 109.127 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -77.61 -5.81 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.084 0.469 . . . . 24.59 110.32 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.537 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 11.8 m-85 -104.18 13.26 32.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 24.59 109.679 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.6 109.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.674 0.62 . . . . 37.17 112.674 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 57.2 29.32 16.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.482 -0.781 . . . . 30.81 111.176 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.4 123.85 35.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.648 -0.501 . . . . 25.62 109.648 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.405 HG21 ' SD ' ' A' ' 54' ' ' MET . 78.9 mt -84.97 112.68 22.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.379 -0.373 . . . . 24.59 111.039 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.405 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 42.4 m-85 -108.15 121.35 44.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.075 -0.343 . . . . 24.59 110.075 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -94.6 131.89 39.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 24.59 110.66 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -125.88 155.7 40.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 24.59 110.653 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.63 121.42 27.0 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.551 -0.907 . . . . 33.44 108.551 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.5 t -113.28 128.72 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.032 0.444 . . . . 24.59 111.353 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.55 105.28 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 42.22 109.457 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -88.56 100.93 13.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 25.59 110.291 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 -178.38 17.53 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.916 -0.583 . . . . 26.42 113.497 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.63 -6.64 18.3 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.214 2.61 . . . . 31.44 112.558 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -93.06 -6.69 47.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.613 -0.267 . . . . 44.64 110.87 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.4 t80 -67.29 139.78 94.99 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 109.566 -0.531 . . . . 29.6 109.566 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.504 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 65.3 Cg_endo -99.26 21.16 23.2 Favored 'Cis proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.192 0.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -70.88 -41.5 71.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.845 0.355 . . . . 36.76 111.128 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.75 154.42 43.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.016 -0.538 . . . . 30.58 110.255 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.98 129.21 18.0 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.572 2.182 . . . . 28.58 112.293 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.02 171.73 17.35 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.552 2.168 . . . . 24.59 111.732 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.17 114.87 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.706 0.289 . . . . 29.16 110.439 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.98 129.42 69.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 24.59 110.645 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -146.35 159.2 43.69 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.758 0.313 . . . . 41.41 110.732 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -102.16 143.46 31.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 24.59 110.857 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.79 -43.97 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.549 -0.537 . . . . 24.59 109.549 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.2 143.47 28.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.672 -0.694 . . . . 24.59 109.779 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 71.8 mttt -65.61 125.55 25.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 35.04 111.407 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.405 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.9 tt -141.37 130.53 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 24.59 110.339 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.98 84.82 3.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.985 0.421 . . . . 24.59 110.014 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.9 ttp -126.63 146.04 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 24.59 110.001 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.19 113.36 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 27.45 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.71 -9.41 14.52 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.716 -0.754 . . . . 24.59 112.673 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.8 mt -111.04 135.39 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.913 0.387 . . . . 24.59 111.131 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.29 132.96 41.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 26.32 109.327 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -83.55 -0.63 51.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.215 0.82 . . . . 24.59 113.215 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m -102.23 -59.27 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.972 -0.455 . . . . 31.16 111.53 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.91 -26.12 17.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.891 0.33 . . . . 30.09 111.891 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.99 21.53 35.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.494 -0.86 . . . . 25.64 112.009 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.5 mtp -82.3 139.38 34.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.787 0.327 . . . . 38.85 110.613 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.0 t -100.28 129.01 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 25.28 110.601 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.576 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 34.3 t0 -70.53 119.58 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 34.12 110.629 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.41 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 29.16 112.652 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.576 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 14.3 ptt-85 -74.18 -4.08 33.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 52.63 111.694 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 m -96.45 -12.46 24.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.183 0.516 . . . . 34.05 110.209 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.2 mm -111.39 118.92 46.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.586 -0.524 . . . . 26.63 109.586 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.76 -44.81 25.76 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.347 2.698 . . . . 26.05 114.438 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.26 -25.27 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.428 0.529 . . . . 25.84 112.428 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.84 -38.72 14.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.838 0.351 . . . . 24.59 110.642 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.09 89.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.111 0.482 . . . . 28.65 110.265 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 57.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.799 -0.815 . . . . 39.1 108.799 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -66.09 139.66 58.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.487 -0.779 . . . . 29.08 112.261 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -128.32 148.8 50.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.774 -1.103 . . . . 45.36 108.513 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 30.0 p30 -67.42 -13.16 61.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.102 0.477 . . . . 37.64 110.79 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 0.26 35.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.956 -0.565 . . . . 26.71 110.406 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -91.09 -177.34 4.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.084 -0.507 . . . . 24.59 110.074 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 p -166.8 -179.17 4.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.914 -0.584 . . . . 24.59 109.749 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.7 mt -64.89 -34.6 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 24.59 109.742 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -59.9 -42.17 93.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.357 -0.838 . . . . 24.78 109.445 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.63 -39.69 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 24.59 110.832 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.18 -49.55 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 24.59 111.027 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.95 -41.28 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 24.59 111.186 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.32 -40.7 96.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.913 0.387 . . . . 24.59 110.62 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 30.3 110.727 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.18 -44.73 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 24.59 111.326 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -63.71 -34.08 77.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.721 0.296 . . . . 24.59 110.835 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -68.49 -38.23 80.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 27.05 109.849 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.22 -23.02 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.467 -0.788 . . . . 24.59 110.871 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.6 mtt -75.4 -18.76 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.263 0.554 . . . . 24.59 109.779 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.78 -0.55 55.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 24.59 110.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -65.72 147.06 54.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 25.92 110.491 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -54.47 -37.34 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 29.78 111.55 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -87.26 14.39 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.762 0.652 . . . . 28.22 112.762 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -137.12 -37.34 0.65 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.396 0.517 . . . . 24.59 112.396 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.3 ptm -61.23 -21.34 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.656 0.984 . . . . 24.59 113.656 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -121.39 30.65 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.353 0.501 . . . . 35.29 112.353 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 39.8 mt -89.32 141.97 29.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.836 -0.431 . . . . 24.59 109.836 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.64 123.74 13.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.577 2.185 . . . . 24.59 111.103 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.9 143.87 27.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.808 0.337 . . . . 24.59 111.646 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.18 157.76 60.42 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 122.475 2.116 . . . . 26.0 111.601 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.55 130.16 21.4 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.132 2.555 . . . . 30.09 112.591 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.65 133.6 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 46.96 110.9 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.88 -12.11 32.16 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.598 -0.81 . . . . 36.35 112.229 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.34 123.79 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.989 0.424 . . . . 36.19 110.769 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.22 147.38 36.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.936 -0.575 . . . . 36.38 110.42 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 55.2 m-85 -66.27 -38.26 87.4 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.38 -0.6 . . . . 44.37 109.38 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -113.96 127.69 56.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.436 -0.802 . . . . 53.87 109.573 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.001 -0.999 . . . . 55.71 110.59 -179.283 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.069 -0.345 . . . . 17.17 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -97.13 119.92 36.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 21.89 111.036 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -110.6 168.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.519 -0.548 . . . . 13.17 109.519 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' B' ' 66' ' ' THR . 60.9 m-85 -118.19 138.54 52.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.726 0.298 . . . . 13.17 110.267 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.4 t -123.64 112.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.486 -0.561 . . . . 13.17 109.486 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -107.59 120.45 42.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.928 0.394 . . . . 20.55 111.227 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 0.7 OUTLIER -85.88 159.25 19.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.811 -0.631 . . . . 13.17 109.318 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.03 -19.68 46.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.949 0.404 . . . . 19.31 111.468 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -21.71 62.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.464 . . . . 23.14 111.039 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.84 -4.73 30.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 19.74 112.518 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -79.63 123.98 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.863 0.363 . . . . 21.93 110.697 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -113.99 107.93 16.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.166 -0.47 . . . . 13.17 109.923 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -101.41 166.19 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.997 -0.547 . . . . 17.08 111.213 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 148.41 32.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.979 -0.555 . . . . 16.3 109.825 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -142.13 128.85 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.834 0.349 . . . . 15.88 111.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -94.55 103.91 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 28.9 109.749 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.34 168.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 13.17 111.365 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 82.0 mm-40 -112.17 153.12 44.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 18.17 109.808 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.98 -18.83 52.45 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.92 2.413 . . . . 13.17 113.115 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -1.15 57.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.147 -0.479 . . . . 13.17 111.526 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -82.23 154.97 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 18.03 111.437 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 46.0 p -91.67 154.46 18.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.58 -0.736 . . . . 13.17 110.565 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.51 -30.08 48.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.213 0.53 . . . . 13.17 110.098 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.36 -47.38 86.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.527 -0.76 . . . . 36.51 110.527 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -66.36 -31.95 73.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 25.66 110.16 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.01 -46.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 13.17 109.744 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.24 -34.4 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.617 -0.72 . . . . 15.47 110.666 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.92 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 13.17 110.747 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.97 -40.27 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 24.98 110.057 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.64 -38.03 81.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.55 . . . . 13.17 109.791 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -66.52 -33.88 76.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 14.76 110.636 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.08 -41.2 74.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 26.29 112.281 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -92.55 -47.67 7.01 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.13 0.789 . . . . 30.06 113.13 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -86.57 -24.22 25.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.312 0.486 . . . . 25.19 112.312 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.88 11.35 79.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.523 -0.846 . . . . 13.17 112.403 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.2 mt -86.07 119.25 71.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.36 -0.237 . . . . 13.17 110.36 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -61.78 133.67 46.26 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.479 2.119 . . . . 13.17 112.205 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -57.63 -24.04 60.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.101 2.534 . . . . 13.17 112.597 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.92 -22.33 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.596 . . . . 35.55 110.866 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -109.61 15.43 22.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 20.52 110.501 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -104.93 120.2 40.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 13.17 111.796 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.404 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 1.4 tpp180 -118.72 106.35 12.48 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.417 -0.957 . . . . 36.39 108.417 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.5 mt -92.76 113.22 25.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 13.17 111.49 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.95 127.34 66.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.558 -0.747 . . . . 13.9 109.865 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -156.9 149.45 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.856 -0.156 . . . . 13.17 110.869 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.64 29.35 13.47 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.812 0.695 . . . . 13.17 111.884 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.91 32.91 78.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.035 -0.602 . . . . 13.93 112.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -150.21 177.6 9.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.951 0.405 . . . . 13.17 110.82 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.51 128.65 54.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.758 -0.656 . . . . 23.23 109.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -82.6 111.74 18.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.515 -0.311 . . . . 13.17 110.331 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.443 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 24.1 tt0 -73.41 134.05 43.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.478 -0.328 . . . . 33.44 110.35 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.48 -41.8 69.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 28.37 111.942 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 -7.09 82.28 Favored Glycine 0 CA--C 1.52 0.392 0 CA-C-N 116.012 -0.54 . . . . 15.0 114.228 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -93.87 173.28 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.611 0.706 . . . . 25.5 110.661 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.9 p -104.69 168.88 8.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 13.17 111.129 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.6 mt -66.3 -31.58 72.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 13.17 110.597 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -18.51 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.543 . . . . 13.59 111.431 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.7 m-20 -61.91 -35.82 79.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.95 0.405 . . . . 13.17 111.225 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -107.82 15.17 24.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 13.17 111.358 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 t30 56.86 43.16 25.38 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.774 -0.648 . . . . 25.45 111.41 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -79.28 116.34 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.697 -0.483 . . . . 14.6 109.697 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -92.95 -177.64 4.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 33.23 111.322 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -79.65 159.58 26.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.648 . . . . 25.97 109.936 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.5 8.06 2.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.84 0.456 . . . . 32.61 112.228 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.1 m -80.46 144.18 32.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.857 -0.423 . . . . 13.17 109.857 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -104.36 106.81 17.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.018 0.437 . . . . 13.17 111.724 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.92 142.45 40.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.795 -0.639 . . . . 13.17 109.521 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -91.12 106.8 18.77 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.556 -0.535 . . . . 16.3 109.556 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' B' ' 7' ' ' THR . 47.6 tp -92.27 106.63 18.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 13.17 111.085 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 56' ' ' ILE . 1.9 t . . . . . 0 C--N 1.318 -0.796 0 N-CA-C 108.454 -0.943 . . . . 13.17 108.454 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 56' ' ' ILE . 42.5 p . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.464 0.65 . . . . 24.59 110.349 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -141.76 144.95 24.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.027 -0.988 . . . . 24.59 109.242 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m -155.92 159.35 39.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.451 -0.203 . . . . 24.59 110.451 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -131.3 167.76 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 24.59 110.548 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 24.59 111.935 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.746 0.307 . . . . 40.81 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -109.39 143.87 38.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.261 0.553 . . . . 24.59 110.7 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -91.23 132.0 36.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.672 -0.695 . . . . 26.25 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.7 146.46 16.37 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.925 -0.87 . . . . 24.59 110.925 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 ttp -144.6 129.51 18.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.107 0.454 . . . . 24.59 110.583 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.13 124.9 73.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.83 -0.623 . . . . 24.59 110.262 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.442 HD11 HG21 ' A' ' 56' ' ' ILE . 1.9 mt -90.7 115.96 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.286 -0.635 . . . . 24.59 109.286 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.662 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -46.82 125.85 9.47 Favored Glycine 0 CA--C 1.522 0.494 0 O-C-N 123.867 0.729 . . . . 24.59 114.256 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 23.7 Cg_exo -65.55 138.66 55.44 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.989 2.46 . . . . 24.59 112.5 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 24.7 Cg_exo -63.82 160.6 36.26 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.551 2.168 . . . . 24.59 112.403 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 67.42 18.79 10.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.581 -0.736 . . . . 32.61 111.952 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 177.56 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 24.59 110.108 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -73.58 -13.65 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 24.59 110.323 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.662 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 55.6 m-85 -95.27 -2.49 49.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 24.59 110.707 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.17 132.2 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.644 0.609 . . . . 37.17 112.644 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 t30 63.99 22.29 12.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.08 -0.964 . . . . 30.81 112.152 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -111.44 125.21 53.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.921 0.391 . . . . 25.62 110.845 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -92.94 109.75 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.15 -0.477 . . . . 24.59 109.942 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.463 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 57.4 m-85 -101.0 121.51 41.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.223 -0.444 . . . . 24.59 111.056 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -90.8 134.6 34.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.679 -0.691 . . . . 24.59 109.901 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.417 HD22 ' CZ ' ' A' ' 87' ' ' PHE . 6.1 mp -126.9 160.18 31.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.121 0.486 . . . . 24.59 111.164 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.06 122.65 27.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.465 -0.789 . . . . 33.44 109.034 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.54 123.35 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.983 0.421 . . . . 24.59 110.81 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.19 122.4 46.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.092 -0.504 . . . . 42.22 109.967 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 50.5 m -89.34 138.54 31.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.924 -0.58 . . . . 25.59 110.582 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.13 178.52 46.48 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.808 -0.711 . . . . 26.42 112.266 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.19 -5.88 17.94 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.827 2.351 . . . . 31.44 113.264 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -109.87 14.99 22.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 44.64 110.66 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.7 t80 -72.93 141.87 82.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.394 -0.595 . . . . 29.6 109.394 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.464 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 83.6 Cg_endo -97.0 25.52 21.12 Favored 'Cis proline' 0 C--N 1.347 0.491 0 C-N-CA 124.45 -1.063 . . . . 27.94 113.554 0.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -75.58 -30.42 59.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.288 0.566 . . . . 36.76 109.83 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.91 149.25 40.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 30.58 110.372 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.72 134.34 37.48 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.7 2.267 . . . . 28.58 112.348 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 159.92 32.92 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.687 2.258 . . . . 24.59 112.249 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 115.88 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.119 -0.491 . . . . 29.16 110.453 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.0 t -115.17 138.58 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 24.59 110.984 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -151.12 154.83 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 41.41 110.271 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.417 ' CZ ' HD22 ' A' ' 70' ' ' LEU . 34.7 m-85 -99.73 143.28 30.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 24.59 110.279 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.4 t -93.23 -48.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.197 0.522 . . . . 24.59 109.788 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 145.53 36.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.712 -0.676 . . . . 24.59 110.184 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 83.3 mttt -66.43 118.53 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 35.04 110.749 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.463 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.5 tt -136.37 136.69 48.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.523 -0.762 . . . . 24.59 110.768 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -101.46 92.72 5.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.937 -0.764 . . . . 24.59 108.937 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.9 ttt -132.33 138.75 47.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.495 -0.775 . . . . 24.59 110.169 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.05 100.55 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 27.45 110.85 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.14 -7.52 6.03 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.12 -0.562 . . . . 24.59 112.205 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.39 132.53 63.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 24.59 110.384 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.83 139.92 57.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 26.32 110.717 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -84.77 -3.95 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.176 0.806 . . . . 24.59 113.176 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 -54.8 2.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.675 -0.41 . . . . 31.16 111.411 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 p -90.96 -30.21 16.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 30.09 111.537 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.43 13.57 65.31 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.609 -0.805 . . . . 25.64 111.661 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.2 mtp -74.91 144.81 43.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.229 -0.285 . . . . 38.85 110.229 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -96.57 133.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 25.28 110.79 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 14.4 t0 -77.49 124.07 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.624 -0.51 . . . . 34.12 109.624 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.22 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.732 0.641 . . . . 29.16 112.732 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.586 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 26.1 ptt-85 -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.84 -0.344 . . . . 52.63 111.733 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -90.01 -16.7 29.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 34.05 110.43 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.8 118.89 47.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 26.63 109.941 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.42 -45.27 27.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.535 2.823 . . . . 26.05 114.359 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.41 -17.13 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 112.695 0.628 . . . . 25.84 112.695 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.03 -44.85 6.81 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 24.59 109.822 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.26 96.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 28.65 109.763 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 50.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.371 -0.831 . . . . 39.1 108.974 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -58.88 135.25 57.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.297 -0.865 . . . . 29.08 111.997 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -115.85 143.14 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.101 -0.954 . . . . 45.36 108.889 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -72.99 -0.49 13.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 37.64 110.704 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.97 6.99 46.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 26.71 110.126 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -100.28 178.71 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 24.59 110.797 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.2 p -154.49 -179.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 24.59 110.413 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.69 -39.85 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 24.59 110.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.68 -41.61 86.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.755 -0.657 . . . . 24.78 110.694 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.87 -44.45 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.597 . . . . 24.59 110.705 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 22.0 t -63.73 -46.26 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.564 . . . . 24.59 110.492 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.77 -43.34 90.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.152 -0.476 . . . . 24.59 110.591 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -64.36 -41.28 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 24.59 110.787 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.94 -42.92 89.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 97.3 mt -59.86 -45.37 92.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 24.59 110.303 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -67.11 -30.71 70.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 24.59 110.6 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -66.83 -42.57 85.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.17 -11.38 60.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.668 -0.696 . . . . 24.59 111.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.6 mtt -79.49 -19.99 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.266 0.555 . . . . 24.59 109.603 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.2 mtm -95.68 1.46 53.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.825 -0.625 . . . . 24.59 109.89 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -70.58 147.34 49.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.784 -0.644 . . . . 25.92 110.314 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -54.2 -34.63 61.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 29.78 112.401 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -84.83 8.02 18.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.866 0.691 . . . . 28.22 112.866 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -136.22 -41.6 0.65 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.354 0.502 . . . . 24.59 112.354 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 22.1 ptm -52.85 -25.68 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.959 1.096 . . . . 24.59 113.959 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -114.86 17.41 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.03 0.377 . . . . 35.29 112.014 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.1 mt -77.69 128.83 78.49 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.87 -0.332 . . . . 24.59 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.87 124.79 16.75 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.638 2.225 . . . . 24.59 111.464 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -99.99 141.71 23.27 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.288 -0.415 . . . . 24.59 111.1 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.64 164.76 34.67 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.496 2.131 . . . . 26.0 110.987 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -43.91 118.41 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.171 2.581 . . . . 30.09 112.895 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -60.64 138.83 58.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.74 . . . . 46.96 111.1 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 105.21 -24.62 27.33 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.61 . . . . 36.35 112.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -74.66 134.43 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.341 . . . . 36.19 110.282 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.8 p -114.22 161.64 17.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.301 -0.409 . . . . 36.38 110.817 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 50.6 m-85 -78.62 -10.1 59.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.521 . . . . 44.37 110.261 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -146.94 140.2 25.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.649 -0.705 . . . . 53.87 109.788 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.052 -0.975 . . . . 55.71 110.61 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.459 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.1 ptt? . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.877 0.37 . . . . 17.17 110.219 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -86.05 121.32 28.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 21.89 111.835 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -121.25 171.62 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.978 -0.749 . . . . 13.17 108.978 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' B' ' 66' ' ' THR . 88.5 m-85 -129.75 132.82 46.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.975 -0.29 . . . . 13.17 110.618 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.423 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 24.2 t -112.01 115.57 50.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.623 -0.51 . . . . 13.17 109.623 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -107.19 115.91 31.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.154 -0.476 . . . . 20.55 110.543 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -80.91 173.96 12.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.244 -0.435 . . . . 13.17 110.331 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.18 -12.51 61.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 19.31 110.395 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.57 -7.42 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 23.14 110.619 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.34 81.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.957 -0.639 . . . . 19.74 111.573 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -86.32 110.44 19.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.774 0.321 . . . . 21.93 110.169 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 m -96.25 116.16 28.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.006 -0.543 . . . . 13.17 109.861 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 45.0 pt -105.39 151.31 7.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.611 -0.268 . . . . 17.08 110.629 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.24 140.15 30.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.961 -0.385 . . . . 16.3 109.961 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.42 143.62 31.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.311 . . . . 15.88 110.641 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -111.35 113.52 26.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.333 -0.394 . . . . 28.9 110.264 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -139.09 164.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.37 -0.377 . . . . 13.17 110.292 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 65.4 mm-40 -101.47 151.99 37.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.543 -0.54 . . . . 18.17 109.543 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.46 -26.75 55.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.696 2.264 . . . . 13.17 112.792 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -88.96 7.7 33.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 13.17 111.847 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -80.75 139.73 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 18.03 110.867 -179.671 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 147.96 31.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.081 -0.509 . . . . 13.17 110.46 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.28 -34.5 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.331 0.586 . . . . 13.17 110.331 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.96 -44.33 82.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.224 -0.898 . . . . 36.51 111.419 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.6 t30 -67.93 -36.17 79.68 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.784 0.326 . . . . 25.66 110.291 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.37 -43.47 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 13.17 109.727 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.0 -42.47 99.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.566 -0.743 . . . . 15.47 110.487 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 13.17 110.935 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 34.7 mtpt -66.46 -38.34 87.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 24.98 110.42 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.74 -39.32 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.457 . . . . 13.17 109.774 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.01 -32.65 74.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 14.76 110.872 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.03 -34.93 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.199 -0.455 . . . . 26.29 111.981 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -99.79 -48.94 4.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.912 0.708 . . . . 30.06 112.912 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -82.53 -39.06 22.89 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.058 -0.257 . . . . 25.19 111.598 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.81 38.56 5.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 13.17 112.744 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -111.84 122.33 37.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.118 -0.327 . . . . 13.17 110.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 49.2 Cg_exo -55.17 132.41 52.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.753 2.302 . . . . 13.17 112.149 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.13 -32.19 92.64 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.9 2.4 . . . . 13.17 112.166 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -32.07 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 35.55 110.9 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.75 13.68 25.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.131 -0.486 . . . . 20.52 110.358 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 61.1 mt-30 -104.8 113.74 27.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 13.17 111.024 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -119.5 97.13 5.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.612 -0.885 . . . . 36.39 108.612 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 mt -78.93 129.0 34.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.952 -0.567 . . . . 13.17 111.869 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -122.73 130.22 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 13.9 109.481 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -152.51 139.8 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 13.17 111.008 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 28.02 13.85 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.701 -0.681 . . . . 13.17 112.317 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.06 25.57 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.799 -0.715 . . . . 13.93 112.826 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -142.21 151.88 42.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.677 0.275 . . . . 13.17 110.265 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.46 132.52 35.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 23.23 110.39 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.2 mt -85.17 93.89 8.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.165 0.507 . . . . 13.17 110.119 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.97 142.94 52.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.263 -0.88 . . . . 33.44 111.713 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -47.85 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 28.37 111.906 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 42.86 2.94 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.174 -0.536 . . . . 15.0 113.797 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.471 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.9 mmp_? -136.54 162.23 33.67 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.81 -0.441 . . . . 25.5 109.81 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.9 p -105.77 174.99 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.583 0.23 . . . . 13.17 110.464 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.28 -30.68 69.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 13.17 110.919 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -25.09 66.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.042 -0.527 . . . . 13.59 111.639 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.471 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 5.6 m-20 -62.73 -29.33 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 13.17 111.826 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -117.55 14.35 14.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.386 -0.37 . . . . 13.17 111.064 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 55.34 46.15 24.05 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.557 0.694 . . . . 25.45 110.998 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.1 mt -84.61 106.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.795 -0.639 . . . . 14.6 109.972 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.54 -166.46 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.926 -0.579 . . . . 33.23 109.725 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -71.32 155.31 40.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.39 -0.226 . . . . 25.97 110.39 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 70.93 -8.65 0.93 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.382 0.673 . . . . 32.61 112.793 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.9 m -61.34 123.96 19.26 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.822 0.344 . . . . 13.17 110.672 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -88.86 93.3 9.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.939 -0.573 . . . . 13.17 111.404 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.63 139.66 45.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.23 -1.026 . . . . 13.17 108.23 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -102.08 116.09 31.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.291 -0.564 . . . . 16.3 110.809 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.9 tp -92.46 106.48 18.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.643 -0.708 . . . . 13.17 110.438 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.535 -0.757 . . . . 13.17 109.467 179.747 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 111.897 0.332 . . . . 24.59 111.897 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.48 137.82 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 24.59 111.594 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -141.15 138.92 33.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 24.59 110.297 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -152.2 170.72 19.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.558 -0.534 . . . . 24.59 109.558 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 119.93 -1.128 . . . . 24.59 112.911 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.111 0.481 . . . . 40.81 110.785 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -108.14 138.68 44.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.796 -0.638 . . . . 24.59 110.56 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -99.43 122.31 42.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 26.25 109.947 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.52 142.32 17.51 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.603 -0.808 . . . . 24.59 111.705 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.3 ttp -131.98 125.8 32.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.781 0.324 . . . . 24.59 110.258 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.95 122.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.099 0.476 . . . . 24.59 110.643 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 pt -87.53 128.12 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.791 -0.64 . . . . 24.59 109.443 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.614 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -56.65 129.91 49.49 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 116.114 -0.494 . . . . 24.59 113.343 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.11 144.28 92.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.743 2.295 . . . . 24.59 112.081 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.43 153.21 79.25 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.538 2.158 . . . . 24.59 112.31 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 69.0 24.24 6.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.52 -0.764 . . . . 32.61 112.251 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.744 -0.465 . . . . 24.59 109.744 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -77.76 -0.41 26.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 24.59 110.189 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.614 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 9.6 m-85 -113.14 16.48 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 24.59 110.883 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -57.9 119.98 7.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.891 0.377 . . . . 37.17 111.675 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 t30 69.98 15.11 7.81 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.104 -0.953 . . . . 30.81 111.851 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -91.59 145.83 24.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.968 -0.382 . . . . 25.62 109.968 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -118.91 110.51 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 24.59 109.828 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.419 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 51.2 m-85 -102.7 130.94 49.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.91 0.386 . . . . 24.59 111.011 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.47 136.15 38.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.663 -0.699 . . . . 24.59 110.45 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.08 149.8 50.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.519 . . . . 24.59 111.066 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -116.85 114.9 24.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 33.44 109.36 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.48 117.06 54.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.803 0.335 . . . . 24.59 110.266 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.44 114.27 27.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.038 -0.528 . . . . 42.22 110.276 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -80.85 106.53 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.862 -0.608 . . . . 25.59 110.946 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.87 170.11 33.49 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.812 -0.631 . . . . 26.42 112.812 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.42 -25.37 80.28 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.201 2.6 . . . . 31.44 113.163 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.61 7.6 38.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.612 -0.267 . . . . 44.64 111.468 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 85.0 t80 -71.73 140.79 84.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.287 -0.634 . . . . 29.6 109.287 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 87.0 Cg_endo -98.05 21.86 24.92 Favored 'Cis proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.549 -1.021 . . . . 27.94 113.116 0.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -71.13 -29.26 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.107 0.48 . . . . 36.76 110.094 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.7 154.8 57.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 30.58 109.985 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.91 132.39 28.16 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.692 2.261 . . . . 28.58 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.57 170.96 18.92 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.912 2.408 . . . . 24.59 112.428 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.41 114.52 21.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 29.16 110.395 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.5 t -119.05 133.31 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.398 -0.364 . . . . 24.59 110.567 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -152.59 154.37 35.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 41.41 110.536 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.46 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.124 -0.489 . . . . 24.59 110.431 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.19 -41.84 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.215 0.531 . . . . 24.59 109.695 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 143.51 29.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.621 -0.718 . . . . 24.59 110.167 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 94.1 mttt -67.81 117.52 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 35.04 110.773 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.419 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 6.8 tt -136.56 130.65 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.569 . . . . 24.59 111.057 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -88.88 91.86 8.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.133 -0.691 . . . . 24.59 109.133 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.7 ttt -129.8 147.2 51.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.894 -0.594 . . . . 24.59 110.391 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.23 105.07 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 27.45 111.039 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.21 -4.75 13.64 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.675 -0.774 . . . . 24.59 112.443 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.28 125.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.991 -0.374 . . . . 24.59 109.991 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.17 129.01 38.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 26.32 110.216 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -78.96 -5.94 55.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.997 0.74 . . . . 24.59 112.997 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -98.74 -57.81 2.1 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.9 -0.32 . . . . 31.16 111.677 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -93.86 -24.43 17.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.845 0.313 . . . . 30.09 111.845 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.34 63.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.668 -0.777 . . . . 25.64 112.04 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 82.3 mtp -75.92 140.85 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.863 0.363 . . . . 38.85 110.914 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.31 125.46 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 25.28 110.389 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.51 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 47.6 t0 -75.0 117.69 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 34.12 110.218 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.15 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 29.16 112.641 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 28.6 ptt-85 -78.07 -4.37 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.647 -0.421 . . . . 52.63 111.707 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -101.56 -4.02 27.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.518 . . . . 34.05 110.27 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.83 117.07 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.145 -0.687 . . . . 26.63 109.145 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.67 -49.42 13.52 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.316 2.678 . . . . 26.05 114.252 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.89 -18.15 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.673 0.62 . . . . 25.84 112.673 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -94.64 -36.27 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.945 0.402 . . . . 24.59 110.035 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.78 73.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 28.65 109.868 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -110.76 45.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.637 -0.711 . . . . 39.1 109.405 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.24 137.07 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.12 -0.946 . . . . 29.08 111.739 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -121.43 154.53 36.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.437 -0.801 . . . . 45.36 109.389 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -65.87 -15.03 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.166 0.508 . . . . 37.64 110.7 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 2.27 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.631 . . . . 26.71 111.056 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -91.04 169.15 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.897 0.38 . . . . 24.59 110.59 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 p -153.09 -176.62 5.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.942 -0.572 . . . . 24.59 110.436 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.09 -44.51 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.257 0.551 . . . . 24.59 110.532 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -60.43 -40.1 89.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.279 -0.873 . . . . 24.78 111.612 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.67 -43.16 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 24.59 110.861 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.29 -47.06 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 24.59 110.821 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.73 -44.31 90.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 24.59 111.407 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.6 -40.39 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 24.59 110.715 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 129' ' ' ARG . 7.1 tp10 -65.92 -45.08 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 30.3 110.709 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.38 -45.45 91.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 24.59 111.081 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.6 ttt180 -66.26 -30.09 70.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 24.59 110.443 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.45 HH21 ' CD ' ' A' ' 126' ' ' GLU . 68.5 ttp85 -68.92 -41.56 77.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.519 . . . . 27.05 109.6 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.3 -19.06 63.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 24.59 110.728 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 62.5 mtt -74.45 -25.14 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.658 -0.497 . . . . 24.59 109.658 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 51.2 mtm -85.95 -10.05 55.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 24.59 110.167 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.3 m -66.81 140.25 57.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.597 . . . . 25.92 110.022 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -54.3 -28.48 42.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.153 0.502 . . . . 29.78 111.858 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.71 -13.03 61.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 28.22 112.424 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -128.25 -36.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.116 0.413 . . . . 24.59 112.116 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.5 ptm -56.39 -26.65 53.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.834 0.679 . . . . 24.59 112.834 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -111.88 31.24 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 35.29 111.588 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.7 mt -99.06 126.15 39.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.492 -0.322 . . . . 24.59 110.351 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.5 129.16 33.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.67 2.247 . . . . 24.59 111.109 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -107.41 143.55 27.43 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.544 -0.298 . . . . 24.59 111.621 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.73 167.15 21.95 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.949 2.433 . . . . 26.0 111.312 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.97 127.38 3.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.34 2.694 . . . . 30.09 112.992 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -62.37 121.86 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.2 -0.909 . . . . 46.96 111.345 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.61 24.83 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.529 -0.843 . . . . 36.35 112.621 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.16 133.93 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.364 . . . . 36.19 110.865 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 p -118.02 154.96 31.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.259 -0.428 . . . . 36.38 110.61 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 61.6 m-85 -72.24 -16.54 61.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 44.37 110.532 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -140.55 162.24 35.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 53.87 109.52 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.214 -0.898 . . . . 55.71 110.532 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.772 0.32 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -96.18 129.8 43.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.129 0.49 . . . . 21.89 111.542 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -130.92 165.8 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.706 -0.679 . . . . 13.17 109.218 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' B' ' 66' ' ' THR . 93.2 m-85 -121.18 140.44 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.604 0.24 . . . . 13.17 110.615 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.423 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 38.3 t -116.99 118.51 59.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.65 -0.5 . . . . 13.17 109.65 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -111.29 123.58 50.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.423 -0.353 . . . . 20.55 110.705 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -80.39 -177.65 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.17 -0.468 . . . . 13.17 111.147 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.42 -20.46 47.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.354 0.597 . . . . 19.31 110.078 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -37.99 61.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.549 -0.75 . . . . 23.14 110.175 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.7 2.73 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.598 -0.728 . . . . 19.74 111.64 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -51.12 132.73 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.042 0.537 . . . . 21.93 111.79 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.8 m -123.49 123.36 40.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 13.17 109.969 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 30.7 pt -111.74 155.95 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 17.08 111.351 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 132.17 41.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.864 -0.607 . . . . 16.3 109.754 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -130.57 137.43 49.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.926 0.393 . . . . 15.88 110.628 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -113.06 106.54 14.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.9 -0.591 . . . . 28.9 109.761 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' B' ' 1' ' ' MET . 6.6 m -139.15 164.43 25.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.088 -0.506 . . . . 13.17 110.335 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 79.5 mm-40 -98.93 154.8 37.18 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.262 -0.644 . . . . 18.17 109.262 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -24.67 75.03 Favored 'Trans proline' 0 N--CA 1.473 0.286 0 C-N-CA 122.294 1.996 . . . . 13.17 112.169 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 1.96 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 13.17 111.37 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.582 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -75.2 150.44 38.65 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.963 0.411 . . . . 18.03 111.16 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.435 ' O ' HG21 ' B' ' 26' ' ' VAL . 1.2 p -92.36 149.6 21.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.794 -0.639 . . . . 13.17 110.195 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -57.97 -32.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 13.17 110.352 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.25 -43.18 99.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 36.51 110.337 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -72.42 -32.32 66.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 25.66 110.043 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.435 HG21 ' O ' ' B' ' 22' ' ' THR . 70.7 t -60.52 -45.28 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 13.17 109.662 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.18 -33.23 75.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.606 -0.725 . . . . 15.47 110.411 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.92 94.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.657 -0.702 . . . . 13.17 110.458 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 60.9 mttt -68.84 -35.5 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.03 -0.532 . . . . 24.98 110.18 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.1 -45.27 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.84 -0.43 . . . . 13.17 109.84 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.48 -33.01 74.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.253 0.549 . . . . 14.76 110.347 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.33 -22.97 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.356 -0.838 . . . . 26.29 112.489 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 14.0 ptpt -119.07 -39.47 2.92 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.962 0.727 . . . . 30.06 112.962 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -29.27 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.836 0.31 . . . . 25.19 111.836 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 12.04 69.84 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.462 -0.875 . . . . 13.17 112.942 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.75 121.37 64.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.268 -0.271 . . . . 13.17 110.268 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.17 133.35 49.35 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.8 2.334 . . . . 13.17 112.527 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.53 -19.14 35.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.065 2.51 . . . . 13.17 112.509 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.03 -43.3 73.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.729 -0.669 . . . . 35.55 111.98 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -104.02 14.68 30.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.346 -0.388 . . . . 20.52 111.501 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -91.01 127.66 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.534 -0.303 . . . . 13.17 110.696 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.7 ttp180 -137.79 111.03 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.973 -0.751 . . . . 36.39 108.973 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -94.03 131.65 39.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 13.17 111.481 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.18 131.07 70.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.514 -0.766 . . . . 13.9 109.416 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -139.55 126.36 20.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.722 -0.217 . . . . 13.17 111.162 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.66 29.92 14.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.807 -0.633 . . . . 13.17 112.545 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.97 8.77 85.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.756 -0.735 . . . . 13.93 112.735 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -119.58 144.06 47.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 13.17 110.179 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -86.74 134.96 33.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.172 -0.467 . . . . 23.23 110.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 59' ' ' TYR . 19.6 mt -91.2 115.52 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.459 -0.337 . . . . 13.17 110.92 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.82 140.94 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 33.44 110.383 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.54 -44.05 76.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.981 0.734 . . . . 28.37 112.981 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.61 -6.58 86.92 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.73 -0.748 . . . . 15.0 113.858 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -92.01 167.31 12.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.241 0.521 . . . . 25.5 110.902 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.1 p -104.14 174.38 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.868 -0.605 . . . . 13.17 110.992 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.69 -38.14 83.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 13.17 110.616 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -22.56 65.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.911 -0.586 . . . . 13.59 111.562 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.18 -25.62 68.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.942 0.401 . . . . 13.17 111.678 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.405 ' CD2' HD22 ' B' ' 50' ' ' LEU . 90.9 m-85 -116.38 15.75 15.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.339 -0.391 . . . . 13.17 111.079 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 60.16 39.22 19.65 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.677 0.611 . . . . 25.45 111.141 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.6 mt -78.89 121.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.914 -0.402 . . . . 14.6 109.914 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -105.4 174.24 5.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.579 . . . . 33.23 110.337 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 13.3 pttp -75.43 162.79 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.699 -0.482 . . . . 25.97 109.699 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.6 mp0 70.49 2.16 3.95 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.463 0.477 . . . . 32.61 111.593 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -81.75 158.53 24.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.662 0.268 . . . . 13.17 110.4 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.1 m -119.59 104.19 10.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.508 . . . . 13.17 110.749 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.77 141.03 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.767 -0.651 . . . . 13.17 109.375 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -96.64 121.97 39.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.84 0.352 . . . . 16.3 110.653 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.49 92.76 9.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.326 0.584 . . . . 13.17 110.269 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.397 -0.82 . . . . 13.17 109.438 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.127 0.489 . . . . 24.59 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -76.99 152.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.874 -0.603 . . . . 24.59 111.028 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -155.05 153.74 31.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 24.59 109.614 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.2 p90 -143.32 170.16 16.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 24.59 110.174 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 C-N-CA 120.731 -0.747 . . . . 24.59 112.195 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.071 0.463 . . . . 40.81 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -111.51 142.45 43.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 24.59 110.022 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.33 132.85 53.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 26.25 109.244 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.02 18.16 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.227 -0.749 . . . . 24.59 111.227 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.5 ttp -133.31 129.97 38.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.113 0.482 . . . . 24.59 111.053 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -125.56 118.49 52.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.531 -0.758 . . . . 24.59 110.116 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 129.71 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.009 -0.541 . . . . 24.59 109.632 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.696 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.82 125.31 34.85 Favored Glycine 0 N--CA 1.446 -0.683 0 O-C-N 123.649 0.593 . . . . 24.59 112.631 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.94 142.6 93.56 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.773 2.316 . . . . 24.59 112.289 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -61.77 150.66 84.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.326 2.017 . . . . 24.59 111.939 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 73.28 -4.73 2.12 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.765 0.654 . . . . 32.61 112.765 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -100.21 175.53 5.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.971 -0.381 . . . . 24.59 109.971 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.81 -4.14 38.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.853 0.358 . . . . 24.59 111.009 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.696 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -103.42 4.55 36.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 24.59 109.928 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 40.9 tt0 -49.32 124.46 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.734 0.642 . . . . 37.17 112.734 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 69.2 m-80 76.89 -5.83 2.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.917 -1.038 . . . . 30.81 113.315 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.33 136.15 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 25.62 111.287 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.2 mt -104.5 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.008 -0.738 . . . . 24.59 109.008 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.676 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 29.1 m-85 -96.54 136.35 37.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.992 -0.549 . . . . 24.59 111.746 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 147.47 38.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.472 -0.786 . . . . 24.59 110.08 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 151.1 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 24.59 110.954 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -104.06 115.53 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.648 -0.871 . . . . 33.44 108.648 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.24 125.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 24.59 110.742 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -120.27 111.1 17.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.001 -0.545 . . . . 42.22 110.54 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.21 117.07 21.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 25.59 110.054 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.1 173.86 52.34 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.118 -0.563 . . . . 26.42 112.979 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.51 -16.57 55.45 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.224 2.616 . . . . 31.44 112.972 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -100.06 13.73 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.627 -0.261 . . . . 44.64 111.436 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 36.5 t80 -72.31 140.5 82.48 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.876 -0.416 . . . . 29.6 109.876 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.554 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -98.23 19.61 27.02 Favored 'Cis proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.728 -0.947 . . . . 27.94 113.104 0.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -67.35 -37.92 84.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.161 0.505 . . . . 36.76 110.178 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.66 149.29 39.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.531 -0.759 . . . . 30.58 110.443 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.49 135.08 44.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.667 2.245 . . . . 28.58 112.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.94 158.89 27.45 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.972 2.448 . . . . 24.59 112.54 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.77 116.53 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 29.16 110.28 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -121.1 132.56 70.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 24.59 110.707 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -144.66 146.32 32.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 41.41 110.159 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.95 144.59 29.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 24.59 111.059 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.24 -47.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 24.59 109.789 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -84.24 149.63 25.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.867 -0.606 . . . . 24.59 110.723 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 96.4 mttt -66.69 119.92 12.59 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.822 0.344 . . . . 35.04 111.347 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.676 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 15.3 tt -141.23 131.46 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 24.59 110.987 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -97.36 85.23 3.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.133 -0.692 . . . . 24.59 109.133 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.9 ttt -124.77 137.98 54.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.349 -0.842 . . . . 24.59 109.757 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -60.53 113.22 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 27.45 111.08 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.95 -10.8 20.73 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.656 . . . . 24.59 112.046 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -108.02 128.4 63.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.799 0.333 . . . . 24.59 110.513 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -72.03 132.06 43.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 26.32 109.839 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -86.42 6.82 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.217 0.821 . . . . 24.59 113.217 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -98.24 -62.48 1.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.084 -0.385 . . . . 31.16 110.715 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 -16.23 16.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 30.09 111.108 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.15 12.44 60.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.615 -0.802 . . . . 25.64 112.363 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtp -65.82 131.04 45.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 38.85 111.237 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.9 t -89.26 125.48 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.686 -0.486 . . . . 25.28 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.65 110.79 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.777 -0.453 . . . . 34.12 109.777 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.01 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.696 0.628 . . . . 29.16 112.696 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.57 -11.99 61.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.715 0.293 . . . . 52.63 111.641 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.0 m -95.52 -4.35 44.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.765 0.317 . . . . 34.05 111.027 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.87 120.78 33.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.843 -0.429 . . . . 26.63 109.843 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.18 -47.79 20.75 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.459 2.773 . . . . 26.05 114.162 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.2 m -74.21 -14.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.907 0.706 . . . . 25.84 112.907 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.05 -38.19 9.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.731 -0.387 . . . . 24.59 110.486 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.55 -44.43 70.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.272 0.558 . . . . 28.65 109.945 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.35 40.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.455 -0.793 . . . . 39.1 109.384 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -55.44 128.26 33.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.097 -0.956 . . . . 29.08 111.986 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -110.5 152.7 26.05 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.96 -1.018 . . . . 45.36 108.845 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -68.16 -8.36 37.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.179 0.514 . . . . 37.64 110.514 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -2.39 58.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 26.71 110.677 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -93.47 170.9 9.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.579 . . . . 24.59 110.421 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -159.43 -179.91 8.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.946 -0.57 . . . . 24.59 109.996 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.92 -34.67 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.17 0.509 . . . . 24.59 110.652 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.89 -49.3 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.381 -0.827 . . . . 24.78 110.997 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.4 -41.18 91.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 24.59 111.401 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.75 -52.87 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 24.59 111.778 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.03 -41.07 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 24.59 111.502 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.23 -41.14 86.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.524 -0.307 . . . . 24.59 111.163 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -64.75 -44.09 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.437 -0.347 . . . . 30.3 110.533 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -44.34 91.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 24.59 110.487 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -67.16 -33.43 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 24.59 110.558 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -66.25 -41.45 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.619 -0.512 . . . . 27.05 109.619 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.18 -15.75 62.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.743 -0.662 . . . . 24.59 110.721 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 57.5 mtt -78.75 -24.47 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.28 0.562 . . . . 24.59 109.506 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.2 mtt -85.09 -7.79 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.789 . . . . 24.59 109.883 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.7 m -69.58 144.48 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.725 . . . . 25.92 110.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.78 -39.15 62.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.62 0.6 . . . . 29.78 112.62 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -72.38 -1.81 16.95 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.122 0.786 . . . . 28.22 113.122 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -131.37 -42.7 1.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.441 0.534 . . . . 24.59 112.441 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.2 ptm -52.84 -25.3 11.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.878 1.066 . . . . 24.59 113.878 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -121.14 40.48 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.485 -0.486 . . . . 35.29 112.222 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 19.7 mt -100.33 137.02 19.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.941 -0.392 . . . . 24.59 109.941 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.11 118.7 5.63 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.642 2.228 . . . . 24.59 111.402 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -100.22 143.02 25.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 24.59 111.637 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.34 168.64 20.43 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.002 2.468 . . . . 26.0 111.4 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -44.99 123.11 4.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.133 2.555 . . . . 30.09 113.029 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -64.35 127.55 31.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.638 -0.71 . . . . 46.96 110.575 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 114.1 -23.45 12.76 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.372 -0.918 . . . . 36.35 112.799 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.6 141.08 39.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 36.19 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.3 p -116.76 164.61 14.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 36.38 111.643 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 47.1 m-85 -82.55 -6.05 59.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.521 . . . . 44.37 110.279 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -137.19 131.54 32.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 53.87 110.412 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . 0.418 HD21 ' HA ' ' A' ' 150' ' ' ASN . 1.3 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.243 -0.884 . . . . 55.71 111.286 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.966 -0.383 . . . . 17.17 109.966 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -109.2 129.03 55.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.898 0.38 . . . . 21.89 110.768 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -114.83 158.33 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 13.17 109.861 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.09 107.96 17.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.489 -0.323 . . . . 13.17 110.455 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.481 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 39.1 t -93.98 107.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.288 -0.634 . . . . 13.17 109.288 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 66.1 tttt -103.96 127.67 51.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.649 -0.705 . . . . 20.55 110.978 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 175.02 9.38 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.911 -0.586 . . . . 13.17 109.511 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 mt -78.93 -1.93 37.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 19.31 110.087 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -5.03 45.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.63 -0.714 . . . . 23.14 110.562 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 -4.43 64.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.863 -0.684 . . . . 19.74 112.848 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -76.02 128.04 34.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.056 -0.35 . . . . 21.93 110.056 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -119.31 109.32 15.66 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.857 0.36 . . . . 13.17 110.985 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.481 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.7 pt -100.63 143.21 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.94 -0.573 . . . . 17.08 110.717 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.76 136.52 36.06 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.164 -0.471 . . . . 16.3 110.25 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tp -132.86 135.26 45.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.387 -0.369 . . . . 15.88 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.17 105.12 15.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.182 -0.463 . . . . 28.9 109.858 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -138.77 176.34 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.528 -0.306 . . . . 13.17 110.932 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 75.8 mm-40 -115.15 153.58 47.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.091 -0.707 . . . . 18.17 109.091 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.79 -25.87 54.08 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 122.609 2.206 . . . . 13.17 113.386 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -10.93 59.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 13.17 111.49 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.6 m-20 -68.55 136.48 53.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 18.03 110.575 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.411 ' O ' HG21 ' B' ' 26' ' ' VAL . 3.0 p -79.79 149.91 30.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.86 -0.609 . . . . 13.17 110.171 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -58.49 -35.22 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.229 0.537 . . . . 13.17 110.086 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.14 -37.68 88.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.755 . . . . 36.51 110.507 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -73.2 -35.81 66.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 25.66 109.719 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.411 HG21 ' O ' ' B' ' 22' ' ' THR . 79.8 t -61.08 -45.15 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 13.17 110.27 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.41 -36.0 79.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.47 110.951 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.22 90.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 13.17 110.324 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -71.48 -36.5 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.608 -0.723 . . . . 24.98 110.235 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.79 -41.35 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.06 -0.719 . . . . 13.17 109.06 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.51 -27.18 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 14.76 110.218 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.37 -39.66 89.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.987 -0.551 . . . . 26.29 111.84 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -101.35 -33.69 9.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.065 0.765 . . . . 30.06 113.065 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -98.02 -19.52 17.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.656 0.613 . . . . 25.19 112.656 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.71 19.33 79.94 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.524 -0.846 . . . . 13.17 113.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.27 118.04 68.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.752 -0.264 . . . . 13.17 110.719 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.17 125.17 17.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.621 2.214 . . . . 13.17 112.225 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.88 -25.12 26.39 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.52 2.814 . . . . 13.17 113.168 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.52 -37.05 67.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 35.55 111.361 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -110.09 45.61 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.444 0.64 . . . . 20.52 110.451 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -125.1 105.58 9.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 13.17 111.376 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.58 98.64 7.58 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.323 -0.621 . . . . 36.39 109.323 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 mt -80.24 118.83 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.818 -0.628 . . . . 13.17 111.364 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.66 128.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.433 -0.803 . . . . 13.9 110.322 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.477 ' CD2' HG12 ' B' ' 61' ' ' ILE . 73.6 t80 -145.92 132.44 19.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 13.17 110.312 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 25.78 12.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 13.17 111.538 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 13.65 80.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.836 -0.697 . . . . 13.93 112.811 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -125.17 150.31 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.872 0.368 . . . . 13.17 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.35 125.85 35.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.803 -0.635 . . . . 23.23 109.675 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' B' ' 45' ' ' PHE . 19.0 mt -79.15 114.8 18.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 13.17 111.413 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.402 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 33.5 tt0 -74.0 137.42 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.166 -0.47 . . . . 33.44 110.503 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -48.01 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 28.37 112.661 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.22 23.65 3.22 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.991 -0.623 . . . . 15.0 114.475 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.402 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 5.2 mmt180 -123.22 170.96 9.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.628 0.714 . . . . 25.5 109.999 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -106.71 172.92 6.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.729 0.299 . . . . 13.17 110.652 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.414 HD11 ' O ' ' B' ' 18' ' ' GLU . 55.2 mt -67.46 -28.25 67.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.265 0.555 . . . . 13.17 110.002 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -20.92 61.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 13.59 111.8 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.29 -19.25 63.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.121 0.486 . . . . 13.17 111.376 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -120.32 11.21 11.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.165 -0.47 . . . . 13.17 110.259 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 55.58 45.09 25.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.262 -0.881 . . . . 25.45 111.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.477 HG12 ' CD2' ' B' ' 45' ' ' PHE . 62.2 mt -79.45 109.31 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.12 0.486 . . . . 14.6 109.734 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -85.34 -174.14 5.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 33.23 111.001 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -81.45 154.64 26.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 25.97 109.626 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 66.85 8.19 5.84 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.438 0.461 . . . . 32.61 111.893 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.9 m -75.12 150.69 38.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.924 -0.399 . . . . 13.17 109.924 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -108.46 110.75 22.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 13.17 112.101 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.5 mt -86.95 145.3 26.59 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.524 -0.917 . . . . 13.17 108.524 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.404 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 27.9 m-70 -113.35 119.25 37.02 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.872 -0.331 . . . . 16.3 110.218 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 tp -90.21 115.49 27.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.988 0.423 . . . . 13.17 111.456 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.681 -0.69 . . . . 13.17 109.933 179.399 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.6 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.23 0.538 . . . . 24.59 110.256 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -80.92 142.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 24.59 110.37 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -138.24 153.83 49.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.302 -0.408 . . . . 24.59 110.311 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -147.22 164.28 33.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.136 -0.32 . . . . 24.59 110.136 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 111.411 -0.676 . . . . 24.59 111.411 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 121.223 0.535 . . . . 40.81 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -125.87 136.1 52.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 24.59 109.812 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -89.7 129.45 36.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.738 0.304 . . . . 26.25 110.577 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.25 154.66 16.81 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.789 -0.924 . . . . 24.59 110.789 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.2 ttp -147.2 129.78 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.172 0.486 . . . . 24.59 110.693 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.1 mt -127.29 123.74 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.957 -0.565 . . . . 24.59 110.571 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 pt -86.33 126.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.473 -0.566 . . . . 24.59 109.473 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.625 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -61.54 127.0 40.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 24.59 112.408 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.7 Cg_exo -59.98 144.4 99.47 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.793 2.329 . . . . 24.59 112.288 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 20.5 Cg_exo -64.99 156.93 59.8 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.532 2.155 . . . . 24.59 112.391 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 65.89 21.14 11.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.364 -0.834 . . . . 32.61 112.451 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -125.13 179.89 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.1 -0.704 . . . . 24.59 109.1 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.07 -11.97 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 24.59 110.337 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.625 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 33.6 m-85 -103.17 8.78 38.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 24.59 110.142 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.11 129.41 30.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.916 0.71 . . . . 37.17 112.916 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t30 59.32 31.71 21.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.022 -0.99 . . . . 30.81 112.279 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -115.7 120.4 39.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.926 0.393 . . . . 25.62 110.95 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.1 mt -89.68 106.26 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.841 -0.618 . . . . 24.59 109.517 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 45.4 m-85 -99.71 126.57 45.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 24.59 111.378 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.64 142.01 28.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 24.59 110.351 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.67 159.64 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.067 0.46 . . . . 24.59 111.091 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.59 117.65 24.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.637 -0.711 . . . . 33.44 109.171 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -114.26 125.67 71.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 24.59 110.496 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -114.19 110.06 19.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.932 0.396 . . . . 42.22 110.823 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.0 109.98 16.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.722 -0.672 . . . . 25.59 110.14 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.09 173.76 38.43 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 26.42 112.94 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.67 -13.58 37.59 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 123.182 2.588 . . . . 31.44 112.428 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.37 -4.76 53.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 44.64 111.487 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 34.5 t80 -58.18 137.66 84.48 Favored Pre-proline 0 N--CA 1.466 0.347 0 N-CA-C 110.198 -0.297 . . . . 29.6 110.198 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 96.1 Cg_endo -98.52 22.56 23.28 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 124.634 -0.986 . . . . 27.94 113.425 -0.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.66 -37.56 70.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.837 0.351 . . . . 36.76 110.842 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.73 146.36 34.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 30.58 110.822 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.75 130.8 30.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.876 2.384 . . . . 28.58 112.242 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.91 160.22 43.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 24.59 112.201 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.74 124.24 27.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.791 -0.448 . . . . 29.16 109.791 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.59 133.79 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 24.59 111.164 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -150.44 150.08 30.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.116 -0.493 . . . . 41.41 109.953 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -90.92 151.09 21.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 24.59 110.593 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.3 t -98.77 -49.88 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 24.59 109.468 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.71 142.34 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.829 -0.623 . . . . 24.59 109.596 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 87.2 mttt -66.0 115.65 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.162 0.506 . . . . 35.04 110.834 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.9 tt -133.62 138.83 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.497 -0.774 . . . . 24.59 110.466 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.12 98.63 9.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.026 -0.731 . . . . 24.59 109.026 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.9 ttt -139.49 135.03 33.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.595 -0.729 . . . . 24.59 109.86 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -57.78 110.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 27.45 111.474 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.58 -7.69 13.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.008 -0.615 . . . . 24.59 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -110.13 134.99 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.648 0.261 . . . . 24.59 110.472 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -73.26 144.58 46.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 26.32 110.621 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -87.21 -13.52 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.662 0.616 . . . . 24.59 112.662 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 m -101.08 -57.42 2.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.774 0.321 . . . . 31.16 111.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -84.41 -28.22 27.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.805 0.336 . . . . 30.09 111.149 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.95 7.66 88.34 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 25.64 111.584 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.9 mtp -71.26 146.17 49.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.703 0.287 . . . . 38.85 110.855 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.18 126.2 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.002 -0.544 . . . . 25.28 110.349 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.564 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 41.3 t0 -74.69 117.96 17.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 34.12 110.16 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.643 -0.708 . . . . 29.16 112.751 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.564 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 24.5 ptt-85 -76.51 -7.4 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.584 -0.446 . . . . 52.63 111.539 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 m -104.33 0.65 29.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.93 0.395 . . . . 34.05 110.402 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 34.7 mm -120.81 117.91 30.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 26.63 109.845 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 -46.12 28.25 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.423 2.749 . . . . 26.05 114.562 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.89 -18.53 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.584 0.587 . . . . 25.84 112.584 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.7 mt -95.28 -38.75 10.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.68 0.276 . . . . 24.59 110.493 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.94 79.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.46 0.647 . . . . 28.65 110.06 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -115.76 49.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.515 -0.766 . . . . 39.1 109.383 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -61.19 144.81 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.186 -0.915 . . . . 29.08 111.195 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.01 152.11 48.97 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.784 -0.821 . . . . 45.36 108.784 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -63.21 -18.5 63.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.653 0.263 . . . . 37.64 111.659 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.14 0.35 45.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.925 0.393 . . . . 26.71 111.563 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -90.11 161.93 15.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.406 -0.361 . . . . 24.59 110.279 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -150.82 179.34 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 24.59 110.002 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.98 -44.34 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.046 0.451 . . . . 24.59 110.71 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -56.35 -41.13 75.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.443 -0.798 . . . . 24.78 111.104 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.02 -42.52 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 24.59 110.844 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.94 -48.91 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 24.59 110.827 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.4 -41.28 93.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 24.59 111.156 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.08 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.349 . . . . 24.59 110.791 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.51 -46.43 69.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 30.3 110.634 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.83 -41.19 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 24.59 110.533 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -66.59 -37.21 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 24.59 110.159 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -63.91 -37.38 87.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.216 0.532 . . . . 27.05 109.762 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.75 -24.47 61.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 24.59 110.862 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.0 -27.42 65.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.289 0.566 . . . . 24.59 110.241 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 53.8 mtm -93.27 9.13 37.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 24.59 110.587 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t -80.78 151.27 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 25.92 109.75 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.467 ' HA ' ' SD ' ' A' ' 137' ' ' MET . 52.3 tptt -52.24 -39.38 60.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.052 0.76 . . . . 29.78 113.052 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -79.49 -1.61 38.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.376 0.88 . . . . 28.22 113.376 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -128.09 -36.17 1.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.487 0.551 . . . . 24.59 112.487 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 134' ' ' LYS . 15.6 ptm -52.32 -23.17 5.4 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.907 1.077 . . . . 24.59 113.907 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -122.63 24.33 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.757 -0.377 . . . . 35.29 111.884 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.2 mt -79.12 130.88 68.02 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.166 -0.309 . . . . 24.59 110.166 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.06 117.66 4.39 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.724 2.283 . . . . 24.59 111.553 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -92.61 136.46 25.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 24.59 111.286 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.27 169.74 19.99 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.599 2.199 . . . . 26.0 111.111 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -47.54 130.37 18.03 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.776 2.317 . . . . 30.09 112.285 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.67 136.01 54.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.263 -0.881 . . . . 46.96 111.316 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 106.65 -26.8 18.61 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.722 -0.751 . . . . 36.35 112.904 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.57 136.34 56.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 36.19 110.699 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 p -121.33 159.64 25.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.384 -0.371 . . . . 36.38 110.578 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 69.2 m-85 -72.28 -19.53 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 44.37 110.365 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -124.08 140.08 53.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.55 -0.75 . . . . 53.87 109.291 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 m120 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.323 -0.846 . . . . 55.71 111.349 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.158 -0.312 . . . . 17.17 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -88.89 118.65 28.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.163 -0.472 . . . . 21.89 110.894 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.3 pt -118.25 165.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.023 -0.732 . . . . 13.17 109.023 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.5 m-85 -124.77 131.43 53.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.746 0.307 . . . . 13.17 110.711 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.45 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 22.1 t -109.64 119.87 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.869 -0.789 . . . . 13.17 108.869 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 86.2 tttt -113.8 124.03 51.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.05 0.452 . . . . 20.55 111.09 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -83.49 169.01 15.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.649 -0.705 . . . . 13.17 110.262 179.101 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.15 -21.02 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.91 0.386 . . . . 19.31 111.074 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -17.15 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 23.14 110.774 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -8.46 47.47 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.883 -0.599 . . . . 19.74 111.718 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.432 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 59.4 tttm -63.14 129.33 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 21.93 110.212 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -117.15 116.52 27.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.325 -0.398 . . . . 13.17 111.067 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.45 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.3 pt -110.77 153.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.983 0.42 . . . . 17.08 110.829 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 138.29 36.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.879 -0.6 . . . . 16.3 110.074 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 tp -138.55 137.74 37.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.862 0.363 . . . . 15.88 110.831 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -110.15 107.98 17.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 28.9 110.469 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' B' ' 1' ' ' MET . 1.6 m -140.24 165.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.685 -0.689 . . . . 13.17 109.896 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.6 mm-40 -103.86 157.08 34.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 18.17 109.398 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.19 -25.63 72.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.281 1.988 . . . . 13.17 111.977 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.42 -2.35 45.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.577 -0.738 . . . . 13.17 111.479 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 5.1 m-20 -83.74 139.7 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.469 . . . . 18.03 109.735 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.8 p -87.1 158.77 19.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 13.17 110.863 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.84 -37.04 45.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.189 0.519 . . . . 13.17 110.452 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.5 -45.02 89.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.495 -0.775 . . . . 36.51 110.797 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -70.27 -34.08 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.011 -0.54 . . . . 25.66 110.574 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.39 -43.99 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 13.17 109.95 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.461 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 90.8 mttt -61.4 -33.72 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.74 . . . . 15.47 111.038 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.8 97.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 13.17 110.85 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.8 -35.49 77.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 24.98 110.278 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.01 -41.15 84.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 13.17 109.943 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.87 -27.39 68.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 14.76 111.147 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.48 -42.73 74.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.178 -0.465 . . . . 26.29 112.025 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -95.49 -38.51 10.42 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.147 0.795 . . . . 30.06 113.147 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.73 -28.22 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.093 0.405 . . . . 25.19 112.093 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.38 7.02 88.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.387 -0.911 . . . . 13.17 112.566 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.49 120.41 75.42 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 122.975 -0.132 . . . . 13.17 110.742 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -58.38 133.37 54.42 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.871 2.38 . . . . 13.17 112.088 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.71 -27.41 33.62 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.473 2.782 . . . . 13.17 113.608 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.91 -35.59 81.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 35.55 110.844 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -89.34 5.11 46.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 20.52 110.612 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -100.06 141.36 32.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 13.17 110.731 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.481 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.0 ttp180 -155.57 112.86 3.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.582 -0.896 . . . . 36.39 108.582 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.76 133.37 36.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.343 0.592 . . . . 13.17 112.011 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.3 mm -118.78 129.32 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.18 -0.918 . . . . 13.9 109.263 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -153.68 147.76 25.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.571 0.224 . . . . 13.17 110.886 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 14.87 5.68 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.767 -0.651 . . . . 13.17 112.202 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.56 18.72 59.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.906 -0.664 . . . . 13.93 112.361 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.73 160.96 38.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.78 0.324 . . . . 13.17 110.555 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.77 133.3 34.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 23.23 110.174 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.427 HD22 ' CG ' ' B' ' 59' ' ' TYR . 11.7 mt -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.438 -0.346 . . . . 13.17 110.474 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 0.5 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.3 tt0 -69.35 137.71 53.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.748 -0.464 . . . . 33.44 109.748 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.461 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 1.3 m-20 -58.37 -31.0 67.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.185 0.809 . . . . 28.37 113.185 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.21 24.7 20.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.355 -0.926 . . . . 15.0 113.334 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.5 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 7.8 mmt180 -115.94 162.56 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.864 0.364 . . . . 25.5 110.569 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.1 OUTLIER -93.58 163.35 13.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 13.17 110.086 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.03 -36.51 83.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.096 0.474 . . . . 13.17 110.63 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -19.06 63.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.05 -0.523 . . . . 13.59 111.656 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.7 m-20 -65.33 -18.67 65.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.834 0.35 . . . . 13.17 111.386 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.427 ' CG ' HD22 ' B' ' 50' ' ' LEU . 91.5 m-85 -122.18 16.23 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.384 -0.371 . . . . 13.17 110.775 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 60.25 32.31 20.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.744 -0.662 . . . . 25.45 111.561 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.3 124.55 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 14.6 109.941 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -124.22 -170.2 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.253 -0.431 . . . . 33.23 110.843 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 ptmt -68.03 152.91 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 25.97 111.367 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.78 3.5 3.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.531 -0.759 . . . . 32.61 112.295 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 27.3 m -79.19 126.98 31.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 13.17 110.087 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -92.23 105.7 17.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.868 -0.605 . . . . 13.17 111.139 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -80.65 141.63 34.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 13.17 109.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -92.67 114.82 27.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.548 -0.296 . . . . 16.3 110.41 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 tp -93.54 98.23 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.268 0.556 . . . . 13.17 110.198 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 43.7 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 13.17 110.222 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.757 0.313 . . . . 24.59 111.703 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.63 146.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.031 0.443 . . . . 24.59 111.855 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -146.22 140.68 26.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 24.59 109.882 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -135.15 169.81 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.543 -0.299 . . . . 24.59 110.817 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 110.948 -0.861 . . . . 24.59 110.948 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 . . . . . 0 C--O 1.237 0.409 0 CA-C-O 120.909 0.385 . . . . 40.81 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -120.18 153.87 35.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 24.59 110.428 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.6 m -100.83 130.44 46.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.062 -0.517 . . . . 26.25 110.523 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.55 124.38 6.1 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.124 -0.79 . . . . 24.59 111.124 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttp -112.89 128.17 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.194 0.497 . . . . 24.59 110.473 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.9 mt -125.63 124.56 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.104 -0.498 . . . . 24.59 110.599 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 pt -90.92 123.45 43.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.332 -0.618 . . . . 24.59 109.332 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.647 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.18 133.74 45.35 Favored Glycine 0 N--CA 1.449 -0.453 0 O-C-N 123.45 0.469 . . . . 24.59 112.984 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 42.6 Cg_endo -67.86 151.45 78.33 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.761 2.307 . . . . 24.59 112.268 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 21.4 Cg_exo -65.49 158.47 52.75 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.641 2.227 . . . . 24.59 113.134 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 60.55 27.8 17.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.258 -0.883 . . . . 32.61 112.514 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.1 p -130.61 -179.17 5.13 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 110.118 -0.327 . . . . 24.59 110.118 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -81.32 -3.23 51.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 24.59 109.883 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.647 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 25.3 m-85 -108.39 -0.75 20.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 24.59 109.643 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.06 129.87 35.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.482 -0.781 . . . . 37.17 112.029 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 67.1 15.1 10.02 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.203 -0.908 . . . . 30.81 112.184 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.76 129.51 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 25.62 110.58 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.8 mt -102.0 113.58 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.963 -0.562 . . . . 24.59 109.552 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.71 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.6 m-85 -105.36 142.18 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 24.59 111.831 -178.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.35 130.85 54.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.516 -0.765 . . . . 24.59 110.412 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.491 HD22 ' CZ ' ' A' ' 87' ' ' PHE . 6.0 mp -125.34 161.46 26.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 24.59 110.899 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.27 123.02 39.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 33.44 109.493 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.3 122.14 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.153 -0.476 . . . . 24.59 110.42 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.57 107.03 17.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.441 . . . . 42.22 111.117 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.0 m -83.47 103.22 12.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.748 -0.66 . . . . 25.59 109.577 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.54 174.61 17.96 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.9 -0.591 . . . . 26.42 113.087 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.42 -21.79 71.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.852 2.368 . . . . 31.44 112.291 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -91.53 2.81 56.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.568 -0.287 . . . . 44.64 111.551 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.74 136.44 86.72 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.891 -0.411 . . . . 29.6 109.891 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -99.3 21.27 23.02 Favored 'Cis proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.592 0.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.11 -33.3 71.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.147 0.499 . . . . 36.76 110.306 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.19 27.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 30.58 110.448 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.56 123.65 12.4 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.681 2.254 . . . . 28.58 112.385 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.33 152.2 71.51 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.899 2.399 . . . . 24.59 112.234 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 128.27 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 29.16 110.13 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.1 t -125.67 134.31 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 24.59 111.14 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -145.81 146.66 31.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 41.41 110.772 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CZ ' HD22 ' A' ' 70' ' ' LEU . 26.1 m-85 -88.92 138.97 30.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 24.59 110.111 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.9 t -93.64 -44.16 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.533 . . . . 24.59 109.654 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.521 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -81.46 148.24 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.492 -0.776 . . . . 24.59 110.249 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 84.4 mttt -66.46 121.71 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 35.04 111.517 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.71 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.2 tt -145.45 130.6 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 24.59 110.978 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.87 92.7 6.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.34 -0.615 . . . . 24.59 109.34 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.3 ttt -130.03 142.3 50.64 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.264 -0.88 . . . . 24.59 109.591 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.92 115.01 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 27.45 111.013 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.59 -10.68 30.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.982 -0.628 . . . . 24.59 111.985 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.51 126.51 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.286 -0.264 . . . . 24.59 110.286 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.35 133.52 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 26.32 110.31 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -82.75 -1.55 51.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.046 0.758 . . . . 24.59 113.046 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 m -113.13 -55.28 2.54 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.764 -0.374 . . . . 31.16 111.576 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 p -92.16 -25.27 18.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.414 -0.357 . . . . 30.09 111.38 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.83 8.81 75.62 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.554 -0.831 . . . . 25.64 111.788 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.6 mtp -68.9 133.78 48.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.825 0.345 . . . . 38.85 110.869 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.6 t -89.09 134.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.125 -0.488 . . . . 25.28 110.377 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.414 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 5.2 t0 -79.24 127.35 31.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 34.12 110.085 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.111 0.782 . . . . 29.16 113.111 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.414 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 32.8 ptt-85 -77.05 -9.62 58.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.383 -0.527 . . . . 52.63 111.663 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 m -85.7 -24.88 26.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 34.05 109.95 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.28 122.46 48.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 26.63 110.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 -48.55 20.91 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.971 2.447 . . . . 26.05 113.615 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.0 -18.44 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.381 0.511 . . . . 25.84 112.381 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.39 -42.81 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.922 -0.399 . . . . 24.59 109.922 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.81 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.454 -0.573 . . . . 28.65 109.454 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 62.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.94 -1.133 . . . . 39.1 107.94 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -74.71 133.69 42.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.132 -0.94 . . . . 29.08 111.814 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -118.54 149.0 42.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.916 -1.038 . . . . 45.36 108.204 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.82 -2.1 11.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 37.64 111.619 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.18 6.5 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 26.71 110.306 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -104.2 171.69 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 24.59 110.08 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 p -158.1 -173.24 4.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.463 -0.335 . . . . 24.59 110.459 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.5 mt -55.75 -41.33 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.319 0.581 . . . . 24.59 110.239 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 27.4 ttpt -57.33 -48.04 80.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.076 -0.965 . . . . 24.78 111.089 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.27 -41.99 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 24.59 110.976 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.18 -47.75 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 24.59 110.808 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 24.59 111.196 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 22.8 mt-30 -65.6 -38.23 88.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.365 . . . . 24.59 110.714 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 126' ' ' GLU . 5.2 tp10 -66.25 -46.4 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 30.3 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 131' ' ' MET . 66.5 mt -56.98 -43.2 81.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 24.59 110.843 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 128' ' ' ARG . 26.8 ttt180 -67.99 -34.8 77.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 24.59 110.936 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.34 -41.64 96.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.079 0.466 . . . . 27.05 109.926 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.2 -15.47 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 24.59 110.965 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 61.2 mtt -79.76 -22.91 42.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.058 0.456 . . . . 24.59 109.94 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 77.7 mtm -86.94 -6.48 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 24.59 110.086 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.1 m -72.21 142.43 49.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.617 -0.719 . . . . 25.92 110.283 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.08 -30.76 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.531 0.567 . . . . 29.78 112.531 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -75.18 -5.02 42.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.439 0.533 . . . . 28.22 112.439 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -130.13 -42.48 1.22 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.022 0.378 . . . . 24.59 112.022 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.9 ptm -54.66 -26.68 34.76 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.203 0.816 . . . . 24.59 113.203 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -112.1 28.91 8.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.136 0.421 . . . . 35.29 112.136 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 30.8 mt -91.99 133.82 29.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.02 -0.272 . . . . 24.59 110.324 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.51 124.73 16.96 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.701 2.267 . . . . 24.59 111.209 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -102.26 146.11 31.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.267 0.469 . . . . 24.59 112.267 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.55 170.7 19.42 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.188 2.592 . . . . 26.0 111.558 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.31 116.98 2.55 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.691 2.26 . . . . 30.09 112.763 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.39 135.34 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 46.96 110.832 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 107.35 -22.06 29.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.663 -0.78 . . . . 36.35 111.957 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -76.74 144.23 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.383 . . . . 36.19 110.605 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 161.67 19.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.006 -0.543 . . . . 36.38 110.105 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 48.5 m-85 -76.17 -23.07 54.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 44.37 110.028 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.29 134.51 34.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 53.87 109.538 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.249 -0.881 . . . . 55.71 110.536 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.742 0.306 . . . . 17.17 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.34 124.57 41.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.094 -0.503 . . . . 21.89 110.421 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -123.69 170.12 14.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.85 -0.426 . . . . 13.17 109.85 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.7 m-85 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.931 0.396 . . . . 13.17 110.945 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.42 109.5 28.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.13 -0.693 . . . . 13.17 109.13 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -105.53 126.41 52.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.082 0.468 . . . . 20.55 111.006 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -87.15 173.59 9.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.805 -0.634 . . . . 13.17 109.744 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 38.0 mt -75.83 -5.5 46.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.253 0.549 . . . . 19.31 110.244 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -17.65 24.54 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.244 -0.889 . . . . 23.14 110.545 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.25 -23.82 15.37 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.822 -0.704 . . . . 19.74 112.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.95 110.92 1.01 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.942 0.401 . . . . 21.93 110.762 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -109.56 111.31 22.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.951 -0.568 . . . . 13.17 110.045 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 pt -104.02 156.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.994 -0.548 . . . . 17.08 110.878 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 145.96 24.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.074 -0.512 . . . . 16.3 109.793 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -140.65 141.71 35.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.758 0.313 . . . . 15.88 110.295 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -111.63 108.37 17.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.051 -0.522 . . . . 28.9 110.771 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.66 166.2 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.652 -0.704 . . . . 13.17 109.648 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -104.18 154.64 38.08 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.254 -0.647 . . . . 18.17 109.254 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.22 -28.38 70.87 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.48 2.12 . . . . 13.17 112.589 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -6.93 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 13.17 111.99 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -75.21 142.74 43.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.027 0.442 . . . . 18.03 111.239 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.26 153.3 31.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 13.17 111.4 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.26 -37.15 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 13.17 110.308 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.05 -39.49 90.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 36.51 110.036 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -68.31 -38.33 81.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.978 -0.556 . . . . 25.66 109.935 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.407 ' O ' HG13 ' B' ' 30' ' ' ILE . 71.9 t -59.48 -44.92 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 13.17 109.66 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.45 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 98.6 mttt -61.54 -40.1 93.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.736 -0.665 . . . . 15.47 110.601 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.41 89.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.775 -0.648 . . . . 13.17 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -68.57 -31.8 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 24.98 110.425 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 26' ' ' VAL . 84.5 mt -71.12 -40.93 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 13.17 109.808 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.2 -29.07 70.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 14.76 110.806 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.16 -30.86 66.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 26.29 112.228 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -103.35 -41.96 5.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 30.06 112.575 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -87.86 -36.36 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.857 0.317 . . . . 25.19 111.857 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.42 35.49 10.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.366 -0.921 . . . . 13.17 112.142 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.54 121.32 42.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.014 -0.365 . . . . 13.17 110.014 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.27 132.22 50.93 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.808 2.339 . . . . 13.17 112.43 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.72 -28.48 57.16 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.128 2.552 . . . . 13.17 112.151 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.72 -35.76 75.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.587 . . . . 35.55 111.43 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -94.69 0.26 54.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 20.52 110.795 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -89.87 130.45 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.971 -0.558 . . . . 13.17 110.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 29.6 ttp180 -144.23 112.53 6.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.877 -0.786 . . . . 36.39 108.877 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.89 133.54 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 13.17 111.985 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -114.95 134.53 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.332 -0.849 . . . . 13.9 109.692 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' B' ' 50' ' ' LEU . 57.1 t80 -155.95 142.18 18.35 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.697 -0.229 . . . . 13.17 110.632 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.93 29.33 16.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.935 0.494 . . . . 13.17 112.107 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.7 37.22 67.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.842 -0.694 . . . . 13.93 112.393 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -157.77 165.88 34.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 13.17 110.236 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.85 135.33 34.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.23 -0.441 . . . . 23.23 110.512 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -80.64 129.35 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.375 -0.375 . . . . 13.17 110.76 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.25 133.97 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 33.44 110.144 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.45 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 3.9 m-20 -56.33 -36.28 68.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 28.37 112.363 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.2 -7.94 88.06 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.775 -0.726 . . . . 15.0 113.52 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.81 172.02 8.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.219 0.51 . . . . 25.5 111.14 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 27.7 p -111.75 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 13.17 110.489 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.77 -38.85 90.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 13.17 110.821 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.3 m -67.7 -16.21 64.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 13.59 111.561 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 55' ' ' THR . 16.3 m-20 -73.14 -16.87 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 13.17 111.114 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.31 17.35 9.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.521 -0.309 . . . . 13.17 110.912 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.16 35.99 21.07 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.903 -0.59 . . . . 25.45 110.861 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.4 mt -83.07 115.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.439 . . . . 14.6 110.364 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -99.12 -163.4 1.03 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.058 -0.519 . . . . 33.23 109.923 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.5 159.74 25.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.164 -0.31 . . . . 25.97 110.164 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.98 18.6 10.04 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.543 0.527 . . . . 32.61 111.703 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -77.51 147.65 35.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 13.17 109.329 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.7 m -112.75 99.88 8.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.239 0.543 . . . . 13.17 111.17 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 24.4 mt -78.4 141.61 38.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.47 -0.786 . . . . 13.17 109.295 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -103.68 118.65 37.22 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.984 -0.287 . . . . 16.3 110.284 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 tp -91.73 106.45 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.051 -0.522 . . . . 13.17 110.871 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 57.4 t . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.613 -0.721 . . . . 13.17 109.467 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.2 p . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.808 0.337 . . . . 24.59 111.357 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.88 126.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 24.59 112.173 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -137.7 132.26 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 24.59 109.264 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -152.38 170.81 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 24.59 110.719 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 CA-C-N 115.819 -0.628 . . . . 24.59 111.616 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.2 mtm-85 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.932 0.396 . . . . 40.81 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -121.82 155.13 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 24.59 111.856 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.7 m -116.66 108.57 16.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.362 -0.835 . . . . 26.25 109.391 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.41 131.1 10.49 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.703 -0.761 . . . . 24.59 111.391 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttp -118.19 123.04 44.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.197 0.499 . . . . 24.59 110.541 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.7 mt -112.87 118.15 57.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.064 -0.517 . . . . 24.59 110.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.08 123.54 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.103 -0.498 . . . . 24.59 109.694 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.571 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -64.51 130.97 37.78 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.991 -0.623 . . . . 24.59 112.388 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 53.4 Cg_endo -69.26 141.02 46.08 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.756 2.304 . . . . 24.59 112.151 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 25.8 Cg_exo -62.54 161.73 26.92 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.501 2.134 . . . . 24.59 112.256 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 69.17 22.51 6.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.62 -0.718 . . . . 32.61 111.972 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -137.05 179.59 6.29 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.89 -0.411 . . . . 24.59 109.89 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -74.44 -4.77 38.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 24.59 110.607 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.571 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 34.3 m-85 -113.69 9.92 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 24.59 110.663 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -51.84 121.79 7.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.883 0.697 . . . . 37.17 112.883 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 t30 72.53 -10.8 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.84 0.856 . . . . 30.81 113.048 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -66.43 143.71 56.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 25.62 112.014 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.7 mt -111.87 111.61 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 24.59 109.488 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 58.2 m-85 -105.05 123.41 47.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.069 0.461 . . . . 24.59 111.354 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.79 132.72 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 24.59 109.825 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.51 148.17 47.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.97 0.414 . . . . 24.59 111.202 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -114.52 112.86 23.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.754 -0.657 . . . . 33.44 109.408 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.31 127.07 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.396 -0.366 . . . . 24.59 110.743 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -119.68 117.69 28.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.042 -0.526 . . . . 42.22 110.619 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' CYS . . . . . 0.437 ' HG ' HD12 ' A' ' 120' ' ' ILE . 43.8 m -102.75 112.85 25.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.96 -0.564 . . . . 25.59 109.992 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.21 -168.77 33.42 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.863 -0.684 . . . . 26.42 113.454 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.42 -12.25 29.37 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.826 3.017 . . . . 31.44 113.397 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -88.63 -5.46 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.026 0.441 . . . . 44.64 110.861 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.454 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 23.7 t80 -70.35 144.27 91.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 29.6 109.278 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 69.0 Cg_endo -96.44 16.33 35.57 Favored 'Cis proline' 0 C--N 1.348 0.536 0 C-N-CA 124.547 -1.022 . . . . 27.94 113.264 -0.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -70.08 -38.42 75.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 36.76 110.524 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.77 155.11 39.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.908 -0.587 . . . . 30.58 110.357 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -68.12 143.29 58.98 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.665 2.244 . . . . 28.58 112.161 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.55 177.51 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.654 2.236 . . . . 24.59 112.26 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -98.88 125.0 44.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.601 -0.518 . . . . 29.16 109.601 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.19 128.81 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.802 0.334 . . . . 24.59 111.371 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -142.58 144.99 33.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 41.41 110.134 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -87.7 145.85 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 24.59 111.029 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.09 -50.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.994 -0.743 . . . . 24.59 108.994 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 139.59 37.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.821 . . . . 24.59 109.923 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -63.54 126.58 27.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 35.04 111.261 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . 0.483 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 11.2 tt -144.24 135.96 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 24.59 110.846 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.44 ' ND2' ' HD3' ' A' ' 142' ' ' PRO . 79.8 m-20 -99.92 84.36 2.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.187 -0.672 . . . . 24.59 109.187 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.1 ttt -127.18 142.69 51.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.692 -0.685 . . . . 24.59 110.699 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.02 113.24 2.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 27.45 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.59 -11.65 15.96 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.952 -0.642 . . . . 24.59 112.644 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.71 135.38 45.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 122.617 -0.343 . . . . 24.59 110.791 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.12 136.54 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 26.32 109.854 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.67 -12.15 60.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.047 0.758 . . . . 24.59 113.047 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -101.43 -60.83 1.46 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.806 -0.358 . . . . 31.16 111.608 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 p -80.44 -35.94 34.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.021 0.439 . . . . 30.09 111.387 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.63 6.97 67.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.682 -0.771 . . . . 25.64 111.906 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 ttp -74.83 146.53 41.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.582 0.23 . . . . 38.85 110.456 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.65 134.74 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.304 -0.407 . . . . 25.28 110.781 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.11 111.84 20.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.087 -0.506 . . . . 34.12 110.146 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.98 -35.37 71.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.916 -0.584 . . . . 29.16 112.297 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -23.27 67.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 52.63 111.666 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -99.36 3.76 46.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.644 -0.253 . . . . 34.05 111.674 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.4 mm -119.31 118.02 32.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.896 -0.409 . . . . 26.63 109.896 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.88 -51.27 8.56 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.678 2.918 . . . . 26.05 114.938 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.14 -18.81 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 113.052 0.76 . . . . 25.84 113.052 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.79 -37.35 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.664 -0.415 . . . . 24.59 110.544 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.8 60.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.653 -0.499 . . . . 28.65 109.653 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 59.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.501 -0.925 . . . . 39.1 108.501 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -70.15 136.13 49.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.238 -0.892 . . . . 29.08 111.91 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -123.82 151.83 42.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.51 -0.922 . . . . 45.36 108.51 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -65.96 -10.47 39.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 37.64 111.427 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.45 59.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.208 -0.451 . . . . 26.71 110.693 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.98 178.72 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 24.59 110.844 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 p -161.14 176.8 10.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 24.59 109.652 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.437 HD12 ' HG ' ' A' ' 74' ' ' CYS . 62.4 mt -63.78 -36.57 77.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 109.083 -0.71 . . . . 24.59 109.083 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -55.49 -42.57 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 24.78 110.543 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.64 -42.06 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 24.59 110.715 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.68 -49.03 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 24.59 111.33 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.91 -42.82 98.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 24.59 111.382 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -68.82 -36.85 78.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 24.59 110.915 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -65.85 -45.74 81.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 30.3 110.257 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 131' ' ' MET . 92.1 mt -60.94 -42.54 98.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 24.59 110.63 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.52 -37.51 87.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.37 -0.377 . . . . 24.59 110.409 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -65.67 -40.09 92.03 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.873 -0.417 . . . . 27.05 109.873 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.5 -28.19 67.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 24.59 110.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 63.4 mtt -67.35 -28.81 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.247 0.546 . . . . 24.59 109.978 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.8 mtm -91.73 4.63 52.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 24.59 110.863 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 t -74.36 152.2 39.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.621 -0.511 . . . . 25.92 109.621 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -53.79 -34.3 58.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.962 0.727 . . . . 29.78 112.962 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -86.65 7.42 26.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.722 0.638 . . . . 28.22 112.722 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -134.11 -35.11 0.95 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.259 0.466 . . . . 24.59 112.259 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 14.2 ptm -63.9 -18.26 64.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.883 0.698 . . . . 24.59 112.883 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -121.98 40.27 3.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 35.29 111.391 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.02 133.55 20.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 24.59 110.694 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.27 115.61 2.62 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.781 2.321 . . . . 24.59 111.497 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -96.42 141.1 22.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 24.59 111.637 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' PRO . . . . . 0.44 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 43.4 Cg_endo -67.76 165.7 26.83 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.942 2.428 . . . . 26.0 111.874 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -46.2 126.82 10.23 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.259 2.639 . . . . 30.09 112.787 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.61 130.03 42.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 46.96 111.03 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.6 -10.77 30.4 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.705 -0.759 . . . . 36.35 112.423 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -81.9 138.33 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.061 0.458 . . . . 36.19 111.189 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 p -114.15 158.38 21.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.718 -0.674 . . . . 36.38 110.259 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.81 -35.39 72.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 44.37 110.444 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -119.27 169.33 10.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.921 -0.77 . . . . 53.87 108.921 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 12.7 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.084 -0.96 . . . . 55.71 110.554 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.973 -0.38 . . . . 17.17 109.973 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -95.41 131.76 41.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.059 0.457 . . . . 21.89 111.571 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 pt -132.7 169.49 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.608 -0.724 . . . . 13.17 109.368 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.01 137.57 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.859 0.361 . . . . 13.17 110.554 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.402 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 40.4 t -113.01 114.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.505 . . . . 13.17 109.638 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -97.3 114.5 26.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.08 -0.509 . . . . 20.55 110.135 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.0 p -82.53 164.21 21.03 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.918 -0.583 . . . . 13.17 110.259 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 19.3 mt -69.46 -21.22 63.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.685 -0.487 . . . . 19.31 109.685 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -38.52 68.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.368 -0.833 . . . . 23.14 110.296 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.06 -18.92 5.83 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.661 -0.78 . . . . 19.74 112.888 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -68.87 110.5 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 21.93 110.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.25 105.95 17.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 13.17 109.525 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.402 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 22.9 pt -95.66 162.33 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.047 0.451 . . . . 17.08 111.446 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -105.37 146.27 29.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.797 -0.638 . . . . 16.3 109.523 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tp -145.13 148.92 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 15.88 110.928 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -114.62 109.8 18.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.878 -0.601 . . . . 28.9 109.89 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.8 m -133.89 162.27 39.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.15 -0.477 . . . . 13.17 110.845 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -104.87 155.0 38.22 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.102 -0.703 . . . . 18.17 109.102 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.78 -28.88 69.25 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.092 . . . . 13.17 112.926 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.97 3.34 51.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 13.17 111.825 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -75.26 142.71 43.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.975 0.417 . . . . 18.03 110.428 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.479 ' O ' HG21 ' B' ' 26' ' ' VAL . 17.4 p -89.26 153.61 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 13.17 110.371 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.92 -32.19 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 13.17 111.0 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.52 -43.87 97.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.886 0.374 . . . . 36.51 110.275 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -67.75 -34.86 77.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 25.66 109.696 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.479 HG21 ' O ' ' B' ' 22' ' ' THR . 89.2 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.835 -0.62 . . . . 13.17 109.513 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.75 -39.03 90.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 15.47 110.418 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 13.17 110.7 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.14 -39.12 93.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 24.98 110.209 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.25 -38.44 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.811 -0.632 . . . . 13.17 110.009 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -69.04 -23.64 64.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 14.76 110.939 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.298 -0.41 . . . . 26.29 111.556 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -96.63 -41.17 8.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.871 0.693 . . . . 30.06 112.871 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -89.63 -39.21 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.156 -0.34 . . . . 25.19 111.517 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.92 5.71 57.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.522 -0.847 . . . . 13.17 112.545 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.02 119.27 76.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.522 -0.177 . . . . 13.17 110.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -62.66 131.45 33.51 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.442 2.094 . . . . 13.17 111.683 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -52.77 -28.05 36.65 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.079 2.519 . . . . 13.17 113.256 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.8 -35.85 79.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.066 0.46 . . . . 35.55 110.777 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -95.03 8.05 44.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 20.52 110.471 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -101.25 112.05 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.699 -0.682 . . . . 13.17 111.052 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.403 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.2 ttp180 -123.75 96.73 5.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.733 -0.84 . . . . 36.39 108.733 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -82.85 126.75 32.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 13.17 112.145 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.25 128.53 75.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.471 -0.786 . . . . 13.9 109.391 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.462 ' CD2' HG12 ' B' ' 61' ' ' ILE . 52.9 t80 -146.82 140.86 26.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.192 -0.299 . . . . 13.17 110.192 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 24.41 11.41 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.018 -0.537 . . . . 13.17 111.527 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.63 26.64 66.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.896 -0.669 . . . . 13.93 112.671 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -138.92 152.75 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.706 0.288 . . . . 13.17 110.617 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 123.47 29.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 23.23 109.636 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' B' ' 45' ' ' PHE . 26.8 mt -78.77 105.82 10.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.226 -0.443 . . . . 13.17 110.559 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -70.63 135.34 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.587 -0.279 . . . . 33.44 110.316 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.11 -46.94 62.02 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.658 0.614 . . . . 28.37 112.658 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.3 -9.83 81.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.002 -0.618 . . . . 15.0 113.971 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -87.03 161.59 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.374 0.587 . . . . 25.5 110.901 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.5 p -100.5 164.35 11.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 13.17 110.841 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.102 0.477 . . . . 13.17 110.641 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.9 m -78.8 -5.11 52.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.885 -0.598 . . . . 13.59 111.258 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -88.24 -13.71 40.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.733 0.301 . . . . 13.17 111.195 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.21 18.88 9.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 13.17 111.194 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.36 44.52 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.825 -0.625 . . . . 25.45 110.606 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' B' ' 45' ' ' PHE . 52.5 mt -92.2 126.0 44.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 14.6 109.629 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -117.32 -169.6 1.69 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.177 -0.465 . . . . 33.23 110.677 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -73.33 157.92 36.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.286 -0.415 . . . . 25.97 110.188 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 65.8 8.59 5.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.97 -0.559 . . . . 32.61 112.369 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -75.62 145.53 41.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.288 -0.264 . . . . 13.17 110.288 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -106.98 97.79 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.164 0.507 . . . . 13.17 110.734 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.5 138.49 41.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.826 -0.625 . . . . 13.17 109.617 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -95.72 115.15 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.262 -0.273 . . . . 16.3 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 tp -94.44 105.64 17.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.101 0.477 . . . . 13.17 110.792 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 11.3 t . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.708 -0.678 . . . . 13.17 109.775 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.201 -0.296 . . . . 51.18 110.201 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -71.32 100.07 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 52.33 110.125 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.54 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 41.9 t -55.44 -51.98 75.46 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.777 -0.647 . . . . 45.08 112.607 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.54 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 24.1 Cg_exo -64.55 -41.3 20.17 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.869 1.713 . . . . 40.03 112.167 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 53.2 ttt-85 -60.07 -51.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 35.39 110.665 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.9 -46.69 88.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 39.28 111.218 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -61.64 -47.47 85.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.381 -0.372 . . . . 39.58 111.161 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.502 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 3.9 tpp85 -61.32 -47.85 84.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 38.87 111.332 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.85 -36.03 80.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.295 -0.411 . . . . 24.59 111.301 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.7 mt -65.85 -34.89 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.017 0.437 . . . . 25.03 110.113 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.22 -41.92 63.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 36.37 110.61 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.502 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 28.3 mt-10 -66.58 -24.68 66.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 25.08 110.708 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.24 -41.48 96.97 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.431 -0.581 . . . . 28.37 109.431 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -65.17 -48.28 74.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.538 -0.755 . . . . 45.48 110.513 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.12 -31.33 71.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.82 -0.627 . . . . 35.52 110.835 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.45 34.96 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.047 -0.597 . . . . 31.25 112.17 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -41.99 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 42.74 110.697 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -82.27 -14.11 55.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 47.38 110.973 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.17 45.85 95.19 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.175 -0.466 . . . . 34.95 112.54 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.57 146.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.77 0.319 . . . . 28.2 110.947 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 -122.63 4.33 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.093 -0.575 . . . . 24.59 111.701 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.23 -43.08 92.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.139 0.495 . . . . 24.59 110.351 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.63 -37.44 3.45 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.677 -0.773 . . . . 24.59 112.353 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.52 31.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.273 0.558 . . . . 24.59 111.333 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.53 147.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.736 -0.666 . . . . 24.59 110.143 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.3 m -155.4 150.86 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.837 -0.431 . . . . 24.59 109.837 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.454 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 15.3 p90 -157.0 173.54 16.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.33 -0.248 . . . . 24.59 110.33 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.16 -178.34 42.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.687 -0.768 . . . . 24.59 111.798 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -64.38 129.01 38.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 25.73 109.776 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.34 -50.8 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 44.86 111.26 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 t70 -79.08 -31.89 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.01 -0.541 . . . . 55.38 110.75 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.474 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 10.8 t70 74.94 -48.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.587 0.755 . . . . 59.05 111.455 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -68.86 -29.28 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.101 0.476 . . . . 62.12 110.338 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -75.16 96.65 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 57.57 109.768 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -86.55 12.73 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.798 0.666 . . . . 49.86 112.798 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.1 p -77.76 -14.82 59.48 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.395 -0.595 . . . . 34.17 109.395 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 mt 61.28 36.45 17.74 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 114.699 -1.137 . . . . 26.52 111.618 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 m -110.88 1.91 17.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 24.59 111.039 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -130.78 91.81 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.241 0.543 . . . . 40.81 110.219 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.16 147.95 29.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.631 -0.713 . . . . 24.59 111.252 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.44 138.21 52.0 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.785 -0.82 . . . . 26.25 108.785 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.81 145.68 16.86 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.627 -0.797 . . . . 24.59 111.693 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 ttp -130.89 124.13 30.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 24.59 110.772 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.52 120.77 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 24.59 110.069 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -85.8 107.68 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.313 -0.625 . . . . 24.59 109.313 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.515 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.35 129.87 19.78 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.359 -0.837 . . . . 24.59 114.205 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.422 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.26 133.54 26.74 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.001 2.468 . . . . 24.59 112.442 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -61.44 161.57 23.49 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.68 2.253 . . . . 24.59 112.377 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 71.24 10.08 6.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.495 0.718 . . . . 32.61 112.461 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -124.31 -177.5 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 24.59 109.702 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -77.18 -6.27 52.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.283 0.563 . . . . 24.59 110.215 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.515 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 31.0 m-85 -107.49 13.62 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.704 -0.68 . . . . 24.59 109.541 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -57.45 123.81 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.65 . . . . 37.17 112.349 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 59.58 29.67 19.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.535 -0.757 . . . . 30.81 111.547 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -109.35 110.41 21.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.866 0.365 . . . . 25.62 110.303 179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -84.98 100.74 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.172 0.51 . . . . 24.59 110.064 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.437 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 54.5 m-85 -90.72 138.97 31.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 24.59 111.02 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -111.89 139.22 47.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.812 -0.631 . . . . 24.59 110.321 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.75 162.25 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.115 -0.493 . . . . 24.59 110.974 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -122.58 125.19 45.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.533 -0.758 . . . . 33.44 109.081 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.94 130.29 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.094 0.473 . . . . 24.59 111.371 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -122.56 109.01 13.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 42.22 109.792 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 m -86.23 117.74 25.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.951 -0.568 . . . . 25.59 110.271 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.39 -178.9 40.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.156 -0.545 . . . . 26.42 113.013 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.29 -19.33 50.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.097 2.532 . . . . 31.44 112.391 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.96 -0.5 57.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.171 -0.468 . . . . 44.64 111.619 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.538 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 38.3 t80 -67.09 141.26 96.32 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.68 -0.489 . . . . 29.6 109.68 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.538 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 65.3 Cg_endo -96.19 15.51 37.31 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 124.369 -1.096 . . . . 27.94 113.729 0.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.89 -35.88 81.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.96 0.41 . . . . 36.76 110.55 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.67 151.98 42.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.747 -0.66 . . . . 30.58 110.577 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' TRP . 13.7 Cg_exo -66.98 133.41 31.02 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 28.58 112.125 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.58 171.08 18.12 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.582 2.188 . . . . 24.59 112.01 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -90.56 117.23 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.179 -0.304 . . . . 29.16 110.179 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 23.5 t -120.53 134.19 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.409 -0.36 . . . . 24.59 110.807 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -149.08 151.28 34.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.437 -0.347 . . . . 41.41 110.551 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -88.11 145.3 26.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 24.59 110.446 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.52 -43.12 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.202 -0.666 . . . . 24.59 109.202 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.04 143.88 29.46 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.348 -0.842 . . . . 24.59 109.915 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 70.0 mttt -62.76 125.01 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.004 0.43 . . . . 35.04 111.329 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.437 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 13.0 tt -144.71 138.16 22.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.684 -0.689 . . . . 24.59 110.751 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -102.11 94.96 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.849 -0.797 . . . . 24.59 108.849 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.6 ttt -140.75 140.33 34.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.344 -0.844 . . . . 24.59 109.351 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.23 124.74 20.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 27.45 110.906 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.77 -10.78 52.88 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.966 -0.635 . . . . 24.59 112.147 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.43 127.26 57.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.227 -0.286 . . . . 24.59 110.227 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -66.75 141.72 57.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 26.32 109.932 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -84.52 -12.61 53.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.274 0.842 . . . . 24.59 113.274 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -106.91 -44.13 4.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.106 0.41 . . . . 31.16 112.106 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -99.48 -26.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.84 0.353 . . . . 30.09 111.514 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.83 5.26 88.14 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.474 -0.87 . . . . 25.64 111.769 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -66.75 135.4 53.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.696 0.284 . . . . 38.85 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.64 139.16 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.99 -0.55 . . . . 25.28 109.944 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.496 ' OD2' ' HG2' ' A' ' 106' ' ' ARG . 24.9 t70 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 34.12 110.923 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.02 25.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.987 0.736 . . . . 29.16 112.987 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.496 ' HG2' ' OD2' ' A' ' 104' ' ' ASP . 26.9 ptt-85 -68.05 -9.04 42.85 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.504 0.557 . . . . 52.63 112.504 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.4 m -87.96 -32.76 18.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.757 0.313 . . . . 34.05 110.701 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.0 mm -99.59 121.63 54.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.285 -0.416 . . . . 26.63 110.267 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.49 -48.78 12.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.637 2.891 . . . . 26.05 114.297 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.68 -23.99 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 112.681 0.623 . . . . 25.84 112.681 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.1 mt -87.65 -38.01 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 24.59 110.363 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.83 -47.87 67.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 28.65 109.961 178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -108.62 58.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 39.1 109.349 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' PRO . 68.6 t-105 -68.42 145.34 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 29.08 111.593 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -134.38 149.38 50.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.187 -0.915 . . . . 45.36 108.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -65.63 -11.99 49.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.779 0.288 . . . . 37.64 111.779 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -7.47 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 26.71 110.904 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -83.55 176.15 9.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.874 0.368 . . . . 24.59 110.906 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -155.36 176.19 12.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 24.59 109.807 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.38 -31.44 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.087 -0.708 . . . . 24.59 109.087 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.454 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.3 ttpt -56.17 -51.71 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 24.78 110.617 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.67 -38.07 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 24.59 111.273 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 94.6 t -61.14 -51.89 67.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 24.59 111.167 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.77 -41.83 98.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 24.59 110.867 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.45 -40.2 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 24.59 110.726 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -65.59 -43.79 88.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 30.3 110.218 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 131' ' ' MET . 68.2 mt -59.49 -46.08 89.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 24.59 110.121 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -64.96 -34.37 78.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 24.59 110.191 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 27.05 109.828 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.1 mt -70.82 -21.15 62.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.729 -0.669 . . . . 24.59 111.119 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.427 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 59.0 mtt -72.43 -26.11 61.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.293 0.568 . . . . 24.59 109.996 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.47 -8.12 59.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.743 -0.662 . . . . 24.59 110.568 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 m -69.71 146.3 51.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 25.92 110.424 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -55.3 -36.21 65.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 29.78 112.583 -178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.27 0.841 . . . . 28.22 113.27 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -118.84 -36.91 3.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.332 0.493 . . . . 24.59 112.332 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 14.1 ptm -57.82 -21.9 44.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.21 0.818 . . . . 24.59 113.21 -178.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -111.19 25.74 11.42 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.967 -0.293 . . . . 35.29 111.689 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 33.6 mt -92.94 123.0 62.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.109 -0.33 . . . . 24.59 110.109 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.66 119.87 7.4 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.783 2.322 . . . . 24.59 111.732 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -95.83 140.58 22.37 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.139 -0.482 . . . . 24.59 111.405 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 168.55 23.17 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.803 2.336 . . . . 26.0 111.297 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.98 121.72 2.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 30.09 113.393 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.0 126.72 28.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 46.96 110.659 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.66 -21.13 9.21 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.763 -0.732 . . . . 36.35 112.051 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.29 133.95 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.025 0.44 . . . . 36.19 110.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.41 156.98 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.968 -0.56 . . . . 36.38 110.553 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 58.8 m-85 -75.52 -9.37 58.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 44.37 110.821 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.88 146.51 27.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.024 -0.732 . . . . 53.87 109.024 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.988 -1.006 . . . . 55.71 110.038 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.504 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.8 ptt? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.894 0.378 . . . . 17.17 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -96.08 124.52 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.879 -0.601 . . . . 21.89 110.316 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -118.97 155.79 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.585 -0.524 . . . . 13.17 109.585 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.658 0.266 . . . . 13.17 110.647 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 16.6 t -94.81 103.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.325 -0.62 . . . . 13.17 109.325 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -102.57 121.41 42.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.104 -0.498 . . . . 20.55 111.08 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.0 m -86.05 159.83 19.47 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.181 -0.674 . . . . 13.17 109.181 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.6 mt -60.2 -18.63 49.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.865 0.364 . . . . 19.31 111.346 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -25.4 63.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 23.14 110.741 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.03 -36.87 3.06 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.948 -0.644 . . . . 19.74 112.798 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.207 0.527 . . . . 21.93 111.8 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -119.63 117.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 13.17 109.701 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 43.6 pt -105.91 150.11 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.823 0.344 . . . . 17.08 110.74 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 130.65 44.34 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.965 -0.562 . . . . 16.3 110.129 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.37 127.49 49.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.56 -0.291 . . . . 15.88 110.665 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -97.58 94.54 7.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.887 -0.597 . . . . 28.9 109.67 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.504 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.8 m -133.91 169.55 21.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.431 -0.35 . . . . 13.17 111.075 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -109.93 153.41 43.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.444 -0.576 . . . . 18.17 109.444 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.432 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.2 Cg_exo -53.99 -30.49 59.39 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.906 2.404 . . . . 13.17 113.572 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -6.36 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.499 0.555 . . . . 13.17 112.499 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.34 145.43 33.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 18.03 110.487 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.16 151.36 22.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 13.17 110.976 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -60.15 -32.8 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 13.17 110.378 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 36.51 110.155 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.45 -37.25 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 25.66 109.546 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.69 -44.43 85.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.545 -0.752 . . . . 13.17 109.703 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.8 mttt -59.57 -42.91 93.54 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.84 -0.618 . . . . 15.47 110.751 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -37.29 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.757 -0.656 . . . . 13.17 111.066 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.419 ' HZ3' HG13 ' B' ' 17' ' ' VAL . 89.7 mttt -68.16 -37.41 80.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.127 -0.488 . . . . 24.98 109.822 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.9 mt -68.57 -36.2 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.105 -0.702 . . . . 13.17 109.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.65 -30.84 71.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.533 -0.758 . . . . 14.76 110.714 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -75.55 -45.12 39.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 26.29 112.152 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -87.92 -36.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.12 0.785 . . . . 30.06 113.12 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -96.41 -38.73 9.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.977 0.362 . . . . 25.19 111.977 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.32 17.74 33.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.479 -0.867 . . . . 13.17 112.378 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.31 117.16 67.67 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.353 -0.24 . . . . 13.17 110.353 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.1 124.56 16.6 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.951 2.434 . . . . 13.17 112.513 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.421 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.2 Cg_exo -54.04 -29.58 55.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.727 2.952 . . . . 13.17 113.275 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.484 ' OD2' ' HD3' ' B' ' 74' ' ' ARG . 21.8 t70 -59.19 -34.28 71.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.845 -0.616 . . . . 35.55 111.992 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -101.56 20.18 16.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.899 0.38 . . . . 20.52 111.387 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -101.66 126.51 48.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.988 0.423 . . . . 13.17 110.663 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -134.83 108.91 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 36.39 109.358 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -86.97 135.59 33.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.151 0.501 . . . . 13.17 111.953 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -120.56 130.85 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.157 -0.929 . . . . 13.9 109.331 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.417 ' HB3' HD23 ' B' ' 50' ' ' LEU . 75.5 t80 -152.64 143.69 23.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.677 -0.238 . . . . 13.17 110.746 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.13 26.01 11.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.842 -0.617 . . . . 13.17 112.271 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 25.3 65.04 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.956 -0.64 . . . . 13.93 113.039 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -146.01 166.0 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.809 0.338 . . . . 13.17 110.659 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.75 139.89 30.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.558 . . . . 23.23 110.368 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.417 HD23 ' HB3' ' B' ' 45' ' ' PHE . 23.0 mt -97.27 159.54 14.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.347 -0.388 . . . . 13.17 110.103 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -99.32 -175.96 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.796 0.332 . . . . 33.44 111.015 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.416 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 0.9 OUTLIER -99.26 -53.29 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 28.37 111.826 -179.335 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.6 39.16 2.13 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.924 -0.58 . . . . 15.0 113.864 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.448 ' HB2' ' OH ' ' B' ' 59' ' ' TYR . 20.7 mmt180 -130.38 160.23 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.213 -0.662 . . . . 25.5 109.213 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.45 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 68.2 p -94.49 169.07 10.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.73 0.3 . . . . 13.17 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 22.9 mt -67.38 -28.7 68.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.603 -0.518 . . . . 13.17 109.603 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -21.6 62.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.725 -0.671 . . . . 13.59 110.749 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.45 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -64.38 -29.41 70.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.274 -0.421 . . . . 13.17 111.262 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.448 ' OH ' ' HB2' ' B' ' 54' ' ' ARG . 3.1 m-85 -109.39 7.92 25.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 13.17 110.293 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 60.21 45.92 10.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.837 -0.619 . . . . 25.45 110.822 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.407 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.9 mt -86.41 122.8 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.948 -0.39 . . . . 14.6 109.948 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -165.58 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.085 -0.507 . . . . 33.23 110.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -79.79 163.23 24.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.985 -0.552 . . . . 25.97 110.741 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 55.51 28.43 11.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 32.61 111.771 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -93.14 127.31 38.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.794 0.33 . . . . 13.17 110.356 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -87.21 91.35 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 13.17 110.924 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.66 153.81 34.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.709 -0.678 . . . . 13.17 109.278 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -110.07 119.49 39.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.01 0.433 . . . . 16.3 111.055 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -96.03 103.56 15.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.627 -0.715 . . . . 13.17 109.691 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.423 HG21 HD11 ' A' ' 56' ' ' ILE . 57.3 t -97.18 117.35 41.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.648 -0.706 . . . . 13.17 109.789 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.75 121.05 13.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.783 -0.644 . . . . 19.57 111.135 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -93.2 90.9 7.02 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.009 -0.737 . . . . 35.08 109.009 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.11 116.25 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.643 . . . . 32.31 110.933 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.484 ' HD3' ' OD2' ' B' ' 39' ' ' ASP . 10.3 ttp180 -120.19 103.44 9.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 42.75 109.907 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.62 95.11 1.32 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.827 -0.702 . . . . 36.31 111.793 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.914 0 CA-C-O 119.002 -0.888 . . . . 36.27 111.783 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.195 -0.298 . . . . 51.18 110.195 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -72.47 104.84 3.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.538 -0.301 . . . . 52.33 110.199 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 53.1 t -59.91 -51.45 80.62 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.246 0.462 . . . . 45.08 112.246 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.529 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 35.3 Cg_exo -59.56 -43.12 41.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.603 1.536 . . . . 40.03 112.087 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.474 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.7 ttt-85 -62.62 -47.26 84.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.324 -0.398 . . . . 35.39 110.299 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.95 -49.06 78.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.217 -0.447 . . . . 39.28 111.043 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 18.3 t80 -60.4 -46.37 90.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.47 . . . . 39.58 110.556 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 1.5 tpp180 -58.93 -46.61 87.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 38.87 110.769 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 93.2 mt -61.6 -39.96 93.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 24.59 110.544 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.35 -33.33 75.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.984 0.421 . . . . 25.03 109.984 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.583 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 29.9 mt-10 -70.17 -48.43 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.764 -0.653 . . . . 36.37 109.849 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 78.3 mm-40 -59.29 -28.55 66.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.927 -0.579 . . . . 25.08 110.426 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 37.3 tp -62.03 -46.87 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.43 -0.582 . . . . 28.37 109.43 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.13 -40.42 90.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.606 -0.724 . . . . 45.48 109.613 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 7.6 mm-40 -60.5 -38.83 85.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.801 -0.636 . . . . 35.52 109.872 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.26 -35.83 88.71 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.939 -0.573 . . . . 31.25 112.128 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.7 mt-30 -75.0 -9.0 58.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.992 0.425 . . . . 42.74 110.63 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' O ' ' HB ' ' B' ' 66' ' ' THR . 47.0 mtmt -111.37 -9.38 14.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 47.38 110.399 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.83 44.03 98.42 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.899 -0.591 . . . . 34.95 112.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.8 137.94 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.776 0.322 . . . . 28.2 111.039 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.02 -143.8 15.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.525 -0.845 . . . . 24.59 112.577 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -33.43 74.04 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.27 0.228 . . . . 24.59 111.312 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.19 -14.17 6.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.746 -0.74 . . . . 24.59 112.982 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p -106.7 -41.45 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.995 0.397 . . . . 24.59 111.608 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.42 143.44 14.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 24.59 112.243 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -149.18 147.15 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 24.59 109.486 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.42 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 41.9 p90 -153.52 171.23 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.661 0.267 . . . . 24.59 110.73 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.46 -172.43 40.32 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.122 -0.791 . . . . 24.59 111.122 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.73 144.56 32.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.148 0.474 . . . . 25.73 110.297 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -77.42 -78.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.532 -0.304 . . . . 44.86 111.116 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.14 -36.66 55.16 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.514 -0.312 . . . . 55.38 110.899 -179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.5 t70 66.98 7.58 5.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.746 0.784 . . . . 59.05 111.293 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.65 -40.51 8.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 62.12 110.976 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.415 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 16.1 t0 -75.66 119.9 20.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 57.57 109.991 179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.9 mtt -72.56 -0.13 12.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.914 0.709 . . . . 49.86 112.914 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.415 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 18.4 p -78.43 -17.35 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.441 -0.504 . . . . 34.17 110.339 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.2 mt 53.12 45.37 28.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.33 -0.85 . . . . 26.52 111.58 179.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -96.14 -28.33 14.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.164 -0.471 . . . . 24.59 111.566 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.7 109.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 40.81 111.656 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -116.83 145.05 43.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 24.59 111.144 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -108.95 120.5 42.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.569 -0.741 . . . . 26.25 110.224 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.4 15.06 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.777 -0.929 . . . . 24.59 110.777 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.9 ttp -128.84 128.48 43.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.334 0.567 . . . . 24.59 110.658 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.14 120.23 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.836 -0.62 . . . . 24.59 110.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.89 117.67 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.663 -0.866 . . . . 24.59 108.663 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.698 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.42 126.4 15.68 Favored Glycine 0 N--CA 1.449 -0.445 0 O-C-N 123.683 0.614 . . . . 24.59 113.394 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -56.99 136.0 74.13 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.141 2.561 . . . . 24.59 112.427 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 39.2 Cg_exo -58.19 159.58 18.47 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.757 2.304 . . . . 24.59 112.435 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 21.7 mmm180 73.88 -35.79 0.32 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.624 0.769 . . . . 32.61 112.466 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -74.04 177.15 5.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.163 -0.31 . . . . 24.59 110.163 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.71 -4.36 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.099 0.476 . . . . 24.59 110.491 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.698 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 54.3 m-85 -98.97 3.15 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 24.59 110.305 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -52.36 128.81 26.61 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.558 0.577 . . . . 37.17 112.558 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.5 t30 62.67 22.82 13.57 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.27 -0.877 . . . . 30.81 111.839 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 36.2 mtt180 -103.47 108.63 19.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.962 -0.461 . . . . 25.62 110.236 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.76 102.89 11.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.011 -0.541 . . . . 24.59 109.729 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 48.7 m-85 -95.58 139.38 31.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 24.59 111.778 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -107.16 137.96 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 24.59 109.79 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.15 154.82 47.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.407 -0.36 . . . . 24.59 111.122 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -115.56 125.78 53.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.21 -0.663 . . . . 33.44 109.21 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.26 124.21 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.353 -0.385 . . . . 24.59 110.512 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -115.42 103.84 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 42.22 110.3 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.6 m -83.98 110.68 18.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.765 -0.652 . . . . 25.59 110.331 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.53 -178.07 39.29 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.942 -0.647 . . . . 26.42 112.757 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.31 -14.59 28.33 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.915 2.41 . . . . 31.44 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -88.15 -1.27 57.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.462 . . . . 44.64 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.405 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 72.1 t80 -68.54 140.39 92.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 29.6 109.535 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.405 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 69.3 Cg_endo -97.69 21.47 26.16 Favored 'Cis proline' 0 N--CA 1.459 -0.532 0 C-N-CA 124.381 -1.091 . . . . 27.94 113.426 0.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -69.67 -37.27 76.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 36.76 109.906 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 144.59 31.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.464 -0.789 . . . . 30.58 110.246 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.22 132.51 34.24 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.762 2.308 . . . . 28.58 112.663 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.45 160.88 43.69 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.768 2.312 . . . . 24.59 112.143 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.78 116.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 29.16 110.288 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.84 130.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.394 -0.366 . . . . 24.59 110.801 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -143.85 149.79 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.541 -0.3 . . . . 41.41 110.721 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.66 143.78 27.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.122 -0.49 . . . . 24.59 110.629 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.23 -50.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.187 0.517 . . . . 24.59 110.076 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 150.24 31.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.574 -0.739 . . . . 24.59 110.057 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 77.1 mttt -67.03 123.32 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.964 0.411 . . . . 35.04 111.172 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.0 tt -145.02 135.4 19.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.474 -0.784 . . . . 24.59 110.496 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -101.57 97.13 7.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 24.59 109.358 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.8 ttt -139.14 139.63 37.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.528 -0.76 . . . . 24.59 109.767 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -56.93 110.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.297 0.373 . . . . 27.45 111.622 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.04 -11.21 20.37 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 24.59 112.652 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.45 126.32 57.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.228 -0.286 . . . . 24.59 110.228 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -63.46 138.16 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 26.32 110.379 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -86.77 -3.47 59.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.711 0.634 . . . . 24.59 112.711 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 m -112.65 -53.95 2.66 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.191 -0.318 . . . . 31.16 111.574 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 p -89.59 -29.98 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 30.09 110.838 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.11 74.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.877 -0.678 . . . . 25.64 111.803 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -67.01 145.44 55.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.76 0.314 . . . . 38.85 110.637 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -98.3 126.5 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 25.28 110.326 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.451 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 23.3 t0 -74.04 121.76 21.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 34.12 110.445 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.599 -0.728 . . . . 29.16 112.635 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.451 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 25.2 ptt-85 -81.89 -1.61 48.37 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.448 -0.501 . . . . 52.63 111.584 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.4 m -99.93 -15.29 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 34.05 109.966 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 mm -111.11 119.69 45.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.791 -0.641 . . . . 26.63 109.856 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.95 -49.8 14.27 Favored 'Trans proline' 0 CA--C 1.534 0.507 0 C-N-CA 123.398 2.732 . . . . 26.05 114.271 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.47 -16.21 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.619 0.599 . . . . 25.84 112.619 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 mt -96.02 -40.62 9.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.711 0.291 . . . . 24.59 110.309 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.95 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.299 0.571 . . . . 28.65 109.709 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -111.33 57.43 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 39.1 108.932 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -61.54 143.23 56.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 29.08 111.465 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -129.05 147.24 50.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.733 -0.84 . . . . 45.36 108.733 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -66.55 -9.03 30.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.441 . . . . 37.64 111.385 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -6.6 59.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 26.71 111.131 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -89.82 171.66 9.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 24.59 110.583 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.5 p -148.92 178.9 8.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 24.59 109.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 22.1 mt -59.52 -40.27 81.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.502 0.667 . . . . 24.59 109.948 179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 25.8 ttpt -58.37 -42.45 87.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.886 -1.052 . . . . 24.78 110.953 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.08 -41.81 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 24.59 110.745 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 44.1 t -63.0 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 24.59 110.583 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.22 -43.13 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 24.59 110.739 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.55 -39.48 91.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 24.59 110.734 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.405 ' CD ' HH21 ' A' ' 129' ' ' ARG . 10.0 tp10 -63.13 -44.61 95.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.041 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 95.7 mt -60.12 -44.2 95.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 24.59 110.406 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -66.12 -32.99 74.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.001 0.429 . . . . 24.59 110.276 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.405 HH21 ' CD ' ' A' ' 126' ' ' GLU . 69.1 ttp85 -68.15 -39.11 82.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.482 -0.562 . . . . 27.05 109.482 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.23 -19.98 60.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.427 -0.806 . . . . 24.59 110.952 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.5 mtt -71.38 -24.28 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.41 0.624 . . . . 24.59 109.677 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.7 mtm -90.52 3.44 53.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.764 . . . . 24.59 110.507 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.94 144.2 52.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.738 -0.467 . . . . 25.92 109.738 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -53.81 -39.14 65.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.162 0.431 . . . . 29.78 112.162 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -84.31 14.08 4.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.355 0.502 . . . . 28.22 112.355 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -135.06 -45.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 24.59 111.594 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.9 ptm -54.56 -22.71 14.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.765 1.024 . . . . 24.59 113.765 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.02 13.58 19.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.008 0.373 . . . . 35.29 112.008 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.19 129.4 82.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.886 -0.325 . . . . 24.59 110.528 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.83 117.84 4.59 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 24.59 111.174 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -89.54 152.38 47.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.199 -0.455 . . . . 24.59 111.579 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.86 166.62 23.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.917 2.411 . . . . 26.0 110.559 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -49.44 119.88 5.11 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.429 2.086 . . . . 30.09 112.277 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.78 134.62 57.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.974 -0.557 . . . . 46.96 110.677 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.03 -26.9 12.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.316 -0.714 . . . . 36.35 111.316 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -69.58 140.8 53.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 36.19 110.62 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 162.69 18.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.201 -0.454 . . . . 36.38 109.907 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 43.6 m-85 -80.66 -13.46 59.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.371 0.605 . . . . 44.37 110.23 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.793 . . . . 53.87 109.754 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.194 -0.907 . . . . 55.71 110.716 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.18 -0.304 . . . . 17.17 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -98.69 128.63 45.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.294 0.569 . . . . 21.89 111.18 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -124.21 165.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.794 -0.639 . . . . 13.17 109.479 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.483 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.6 m-85 -117.38 118.07 31.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.779 0.323 . . . . 13.17 110.967 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.401 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 12.1 t -99.42 108.13 21.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.731 -0.84 . . . . 13.17 108.731 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -110.94 129.58 55.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 20.55 111.304 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -84.2 167.47 16.65 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.442 -0.577 . . . . 13.17 109.442 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 20.5 mt -66.44 -26.84 67.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.101 0.477 . . . . 19.31 110.239 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -32.08 68.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.515 -0.766 . . . . 23.14 110.949 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.65 -21.67 4.72 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.416 -0.897 . . . . 19.74 113.309 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -60.03 122.26 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.006 0.431 . . . . 21.93 110.765 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -116.37 129.28 56.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.815 -0.629 . . . . 13.17 110.427 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.401 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 31.8 pt -124.04 142.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 17.08 110.603 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.38 140.78 29.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.267 -0.424 . . . . 16.3 110.344 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -136.41 137.56 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.37 . . . . 15.88 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.11 97.95 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.989 -0.55 . . . . 28.9 109.565 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.23 171.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.505 . . . . 13.17 111.079 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -106.03 151.51 40.1 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 18.17 109.685 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.96 -19.77 64.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.444 2.096 . . . . 13.17 112.274 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -93.16 5.51 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 13.17 111.391 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.2 148.21 30.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 18.03 110.108 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -84.72 153.89 22.79 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.877 -0.601 . . . . 13.17 110.775 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.68 -34.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 13.17 110.004 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -62.43 -40.25 95.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.549 . . . . 36.51 110.354 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -66.34 -42.48 88.04 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.554 -0.536 . . . . 25.66 109.554 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.98 -45.12 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 13.17 110.152 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.97 -40.9 97.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.633 -0.712 . . . . 15.47 110.703 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.89 86.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.053 -0.521 . . . . 13.17 110.791 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.74 -39.26 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.171 -0.468 . . . . 24.98 109.918 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.03 -38.37 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 13.17 109.845 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -68.62 -19.04 64.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 14.76 110.72 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -81.18 -41.62 22.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.471 -0.331 . . . . 26.29 111.53 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -95.06 -32.1 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.464 0.542 . . . . 30.06 112.464 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -100.76 -39.48 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.588 0.232 . . . . 25.19 111.572 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 18.98 44.05 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.631 -0.795 . . . . 13.17 112.754 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.53 117.99 68.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.68 -0.306 . . . . 13.17 110.335 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.78 124.17 15.56 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.763 2.309 . . . . 13.17 112.314 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -49.04 -30.9 19.3 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.812 3.008 . . . . 13.17 113.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.0 -40.93 77.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 35.55 112.244 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -92.59 2.62 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 20.52 111.608 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -83.61 97.69 9.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.818 0.342 . . . . 13.17 111.148 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.506 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 10.3 tpp180 -96.83 96.32 8.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.58 -0.896 . . . . 36.39 108.58 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.1 mt -89.07 127.5 35.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 13.17 112.205 -178.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 mm -119.17 136.97 54.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 115.264 -0.88 . . . . 13.9 109.614 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.583 ' CE2' HG12 ' B' ' 61' ' ' ILE . 88.5 t80 -152.59 137.38 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.613 0.244 . . . . 13.17 110.892 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 30.26 13.88 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.907 -0.588 . . . . 13.17 112.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.74 22.62 78.05 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.95 -0.643 . . . . 13.93 112.799 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -136.61 151.77 49.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.585 0.231 . . . . 13.17 110.441 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.91 131.46 34.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.107 -0.497 . . . . 23.23 109.713 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.457 HD22 ' HB3' ' B' ' 45' ' ' PHE . 39.7 mt -84.35 122.45 28.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.718 0.294 . . . . 13.17 111.756 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.468 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 21.6 tt0 -78.33 138.41 38.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 33.44 109.724 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.3 -30.27 70.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.588 0.588 . . . . 28.37 112.588 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . 0.468 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -93.06 13.18 68.29 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 15.0 113.325 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.425 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.2 mmp_? -103.96 168.99 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.085 0.443 . . . . 25.5 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.9 p -110.68 165.73 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.619 . . . . 13.17 110.115 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 mt -63.85 -33.26 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 13.17 111.669 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -24.49 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.683 -0.235 . . . . 13.59 111.6 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.425 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 58.5 m-20 -63.49 -32.22 73.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.106 0.479 . . . . 13.17 111.014 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -105.74 9.12 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 13.17 111.333 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.09 48.3 10.82 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.37 0.605 . . . . 25.45 110.784 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' B' ' 45' ' ' PHE . 49.3 mt -85.82 119.4 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.016 -0.538 . . . . 14.6 110.113 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -97.82 -176.09 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 33.23 110.753 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -76.97 159.6 29.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.97 109.998 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.24 12.18 6.93 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.571 0.545 . . . . 32.61 111.974 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -76.77 150.18 36.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 13.17 109.676 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.483 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -113.83 103.85 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.328 0.585 . . . . 13.17 111.092 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.46 156.37 35.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.403 -0.817 . . . . 13.17 110.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -112.62 110.77 21.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.875 -0.417 . . . . 16.3 109.875 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -92.14 104.78 17.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 13.17 110.575 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.506 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 40.7 t -86.82 120.53 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.417 -0.811 . . . . 13.17 109.457 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.4 102.66 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.969 -0.56 . . . . 19.57 110.698 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.453 HH21 ' HB2' ' B' ' 74' ' ' ARG . 13.3 ttp180 -91.34 136.29 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.132 -0.485 . . . . 35.08 109.984 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.79 167.84 19.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 32.31 110.913 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.453 ' HB2' HH21 ' B' ' 72' ' ' ARG . 58.8 ttp180 -164.2 98.76 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 42.75 110.348 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.04 114.79 0.86 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.833 -0.699 . . . . 36.31 112.438 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 119.089 -0.839 . . . . 36.27 111.296 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.088 -0.338 . . . . 51.18 110.088 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.79 97.81 2.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.905 -0.405 . . . . 52.33 109.905 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 98.9 t -56.62 -51.29 82.38 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 115.97 -0.559 . . . . 45.08 112.274 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 31.3 Cg_exo -59.68 -32.38 95.71 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.853 1.702 . . . . 40.03 112.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.481 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.8 ttt-85 -76.21 -49.15 17.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 35.39 110.602 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.55 -42.12 95.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 39.28 111.44 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.13 -41.64 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.76 -0.459 . . . . 39.58 109.76 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.602 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 16.6 tpp85 -59.44 -46.05 89.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 38.87 109.75 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 68.7 mt -61.49 -39.11 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.76 -0.655 . . . . 24.59 110.67 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.05 -31.97 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 25.03 109.985 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.2 mt-10 -76.27 -40.2 52.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 36.37 110.007 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 9.2 mm-40 -57.52 -39.55 76.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.947 0.403 . . . . 25.08 110.051 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.99 -43.1 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.629 . . . . 28.37 109.692 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.56 -36.49 84.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.721 -0.672 . . . . 45.48 110.117 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 19.0 mm-40 -59.35 -42.28 91.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.959 0.409 . . . . 35.52 109.949 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.05 -36.11 80.06 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.793 -0.718 . . . . 31.25 111.484 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.474 ' HA ' ' CE1' ' B' ' 45' ' ' PHE . 47.9 mt-30 -69.7 -32.81 71.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.125 0.488 . . . . 42.74 110.725 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -88.4 1.69 54.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.243 -0.435 . . . . 47.38 110.704 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.04 49.62 76.57 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.159 -0.544 . . . . 34.95 112.885 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.7 t -101.5 109.34 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.631 0.253 . . . . 28.2 110.584 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.4 -162.36 35.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.542 -0.837 . . . . 24.59 112.161 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -47.07 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 24.59 111.092 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.76 -42.46 1.26 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.638 -0.792 . . . . 24.59 112.289 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.9 p -89.91 -42.88 10.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 24.59 110.7 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 m -61.54 131.37 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.601 . . . . 24.59 111.012 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -139.13 138.54 37.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.923 -0.581 . . . . 24.59 110.36 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -138.67 160.3 39.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.925 -0.58 . . . . 24.59 110.224 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.82 -155.53 17.55 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.022 -0.609 . . . . 24.59 111.992 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -113.58 157.66 21.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.771 0.32 . . . . 25.73 110.713 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -110.46 -64.32 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 44.86 111.185 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.55 -29.93 59.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.499 -0.319 . . . . 55.38 111.467 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.5 10.39 0.22 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.225 1.01 . . . . 59.05 113.467 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.35 -31.36 13.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.128 0.489 . . . . 62.12 110.9 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -76.99 148.31 36.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.836 -0.62 . . . . 57.57 110.494 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.8 mtp -116.5 -2.75 11.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 49.86 111.994 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.5 p -75.47 -27.05 58.71 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.308 -0.627 . . . . 34.17 109.308 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.3 mt 57.14 40.21 28.42 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 114.725 -1.125 . . . . 26.52 111.661 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -83.52 -29.15 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 24.59 110.459 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 -103.83 131.67 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 40.81 110.081 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -124.93 140.11 53.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 24.59 111.538 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.6 m -92.39 116.58 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.499 -0.773 . . . . 26.25 110.519 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.45 144.91 18.6 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.481 -0.866 . . . . 24.59 111.709 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ttp -138.06 128.1 25.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.11 -0.33 . . . . 24.59 110.11 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.62 130.33 69.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.11 0.481 . . . . 24.59 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -84.97 118.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.628 -0.714 . . . . 24.59 109.15 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.34 117.32 3.71 Favored Glycine 0 N--CA 1.452 -0.254 0 O-C-N 123.622 0.576 . . . . 24.59 113.226 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -57.92 126.77 22.7 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.195 2.597 . . . . 24.59 112.583 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -63.03 156.59 53.8 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.312 2.008 . . . . 24.59 112.203 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 68.19 21.31 8.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.772 -0.649 . . . . 32.61 111.918 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.2 p -133.59 178.9 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.758 -0.46 . . . . 24.59 109.758 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -79.12 -2.61 41.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 24.59 110.851 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.454 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 60.7 m-85 -105.96 6.24 31.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.36 0.6 . . . . 24.59 109.739 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.56 138.75 57.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.257 -0.883 . . . . 37.17 113.275 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 t30 62.66 19.59 11.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.809 -1.087 . . . . 30.81 112.754 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -105.87 144.36 32.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.991 0.424 . . . . 25.62 110.662 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.417 HG21 HD12 ' A' ' 67' ' ' ILE . 21.0 mt -107.72 106.28 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.521 -0.548 . . . . 24.59 109.521 179.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.492 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.0 m-85 -94.92 132.15 40.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 24.59 111.818 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.13 129.04 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.401 -0.818 . . . . 24.59 109.933 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -121.94 147.27 46.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.018 0.437 . . . . 24.59 111.364 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -124.62 105.87 9.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.886 -0.783 . . . . 33.44 108.886 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.96 130.89 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 24.59 111.046 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.02 117.62 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.135 -0.484 . . . . 42.22 110.287 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.0 m -104.5 99.75 9.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 25.59 109.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.33 -168.94 15.19 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.171 -0.538 . . . . 26.42 113.625 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.66 -12.27 30.93 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.418 2.746 . . . . 31.44 112.885 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -91.14 -8.56 48.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.62 0.248 . . . . 44.64 110.857 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 83.3 t80 -73.75 140.69 78.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 29.6 109.576 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.46 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 16.2 Cg_endo -96.86 18.33 31.91 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 124.7 -0.958 . . . . 27.94 113.202 -0.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.74 -35.1 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.154 0.502 . . . . 36.76 110.335 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.49 156.92 46.93 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.686 -0.688 . . . . 30.58 109.707 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -65.85 130.23 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.613 2.209 . . . . 28.58 112.537 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.07 169.52 21.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.59 2.193 . . . . 24.59 111.758 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -88.2 114.54 24.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.683 0.278 . . . . 29.16 110.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.17 132.39 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 24.59 110.947 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -150.77 150.87 31.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 41.41 110.356 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -96.29 146.01 25.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 24.59 110.505 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.0 t -95.79 -37.99 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.284 0.564 . . . . 24.59 109.522 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.88 144.07 26.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.52 -0.764 . . . . 24.59 109.843 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.455 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 80.1 mttt -65.04 119.69 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 35.04 110.943 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.492 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.8 tt -134.53 130.89 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.706 -0.679 . . . . 24.59 110.653 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -100.28 84.96 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.104 -0.702 . . . . 24.59 109.104 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.8 ttt -133.8 141.99 47.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.214 -0.903 . . . . 24.59 109.761 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.42 113.71 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 27.45 111.397 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.9 -25.6 6.75 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 24.59 112.199 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.6 mp -96.74 129.33 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.437 . . . . 24.59 110.653 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -66.4 138.29 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.677 -0.692 . . . . 26.32 109.867 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -81.52 -14.26 57.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.879 0.696 . . . . 24.59 112.879 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 m -100.15 -55.83 2.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.814 -0.354 . . . . 31.16 111.952 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -86.93 -37.0 18.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.777 0.322 . . . . 30.09 111.576 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.13 10.42 57.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.596 -0.811 . . . . 25.64 112.088 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mtp -76.87 149.29 36.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.304 -0.258 . . . . 38.85 110.304 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.6 t -99.58 129.41 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.387 -0.369 . . . . 25.28 111.182 -179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.39 116.15 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 34.12 110.045 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.78 75.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 29.16 112.207 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.4 mtm180 -67.55 -26.7 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 52.63 111.705 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -82.75 -18.5 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.74 0.305 . . . . 34.05 111.401 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.401 ' HB ' ' HB2' ' A' ' 111' ' ' LEU . 33.6 mm -101.26 120.79 53.98 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.247 -0.279 . . . . 26.63 110.247 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -50.17 -51.58 10.66 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.377 2.718 . . . . 26.05 114.148 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.6 m -69.28 -16.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.768 0.655 . . . . 25.84 112.768 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.401 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 62.7 mt -93.87 -41.67 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.397 . . . . 24.59 110.145 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.66 80.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.306 0.574 . . . . 28.65 109.658 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -109.32 44.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.891 -0.781 . . . . 39.1 108.891 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -60.65 140.4 57.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.05 -0.977 . . . . 29.08 112.429 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -130.66 146.14 52.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.527 -1.215 . . . . 45.36 108.018 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 15.5 p-10 -68.83 -1.65 7.68 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.077 0.399 . . . . 37.64 112.077 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -4.93 57.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.142 0.496 . . . . 26.71 110.082 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -93.08 167.32 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 24.59 110.606 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p -150.41 -176.15 5.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.847 -0.615 . . . . 24.59 110.222 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 9.0 mt -57.75 -40.37 75.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.216 -0.447 . . . . 24.59 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 38.2 ttpt -55.75 -46.94 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.655 . . . . 24.78 110.946 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.64 -42.9 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 24.59 111.04 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.2 t -59.91 -48.57 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 24.59 110.961 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.38 -41.96 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 24.59 111.031 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 21.7 mt-30 -66.04 -42.81 89.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 24.59 111.137 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.27 -43.77 90.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 30.3 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.53 -43.69 89.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 24.59 110.772 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -66.3 -33.72 76.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.437 -0.347 . . . . 24.59 110.772 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.51 -41.15 96.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.67 -0.493 . . . . 27.05 109.67 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.79 -18.22 62.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.746 . . . . 24.59 110.923 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.5 mtt -75.89 -22.25 56.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.262 0.553 . . . . 24.59 109.605 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.9 mtm -95.74 6.29 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.68 -0.691 . . . . 24.59 110.054 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.5 m -74.73 142.93 44.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.853 -0.612 . . . . 25.92 109.448 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -49.66 -39.1 35.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.981 0.734 . . . . 29.78 112.981 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -73.16 -17.79 61.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.347 0.869 . . . . 28.22 113.347 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -112.97 -37.48 4.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.596 0.591 . . . . 24.59 112.596 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 24.8 ptm -54.76 -20.7 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.695 0.998 . . . . 24.59 113.695 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -117.3 18.93 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.127 0.417 . . . . 35.29 112.127 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.437 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 20.9 mt -79.53 136.02 56.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 120.994 -0.282 . . . . 24.59 110.379 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 24.3 Cg_exo -63.16 109.51 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.547 2.164 . . . . 24.59 111.667 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -85.53 147.98 48.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 24.59 111.0 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.07 167.41 27.04 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.587 2.191 . . . . 26.0 111.031 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -44.82 128.42 8.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.161 2.574 . . . . 30.09 112.879 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.05 130.42 46.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.537 -0.756 . . . . 46.96 111.276 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.46 11.77 46.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.511 -0.852 . . . . 36.35 113.35 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -93.48 132.87 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.277 0.539 . . . . 36.19 110.268 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.4 p -109.98 160.0 16.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.811 0.338 . . . . 36.38 111.221 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.455 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 25.9 m-85 -83.39 -5.97 59.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 44.37 110.591 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -147.99 151.08 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.042 -0.526 . . . . 53.87 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.257 -0.877 . . . . 55.71 110.863 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.466 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.215 -0.291 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -92.18 126.74 37.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 21.89 111.493 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -124.94 171.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.098 -0.704 . . . . 13.17 109.098 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.565 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.8 m-85 -127.58 137.17 52.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.036 0.446 . . . . 13.17 110.862 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.06 115.68 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.078 -0.712 . . . . 13.17 109.078 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -112.27 128.14 56.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.508 -0.314 . . . . 20.55 110.928 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -88.29 -177.68 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 13.17 110.654 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 mt -79.28 -6.24 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 19.31 111.223 -179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -5.89 44.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 23.14 110.273 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.71 -14.09 62.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 19.74 112.239 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -60.4 120.68 10.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 21.93 110.146 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -117.25 120.21 37.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.483 . . . . 13.17 110.58 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 pt -112.95 145.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 17.08 110.721 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -91.15 135.41 33.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.031 -0.531 . . . . 16.3 109.997 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 tp -137.1 144.88 43.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.168 -0.308 . . . . 15.88 110.168 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -114.81 117.73 31.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.186 0.517 . . . . 28.9 110.49 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.466 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.0 m -143.21 171.13 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.574 -0.739 . . . . 13.17 109.948 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 54.7 mm-40 -106.77 153.47 40.73 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.068 -0.345 . . . . 18.17 110.068 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.51 76.18 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.715 2.276 . . . . 13.17 113.2 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -82.21 -2.36 52.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 13.17 111.845 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.54 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.3 m-20 -70.89 143.7 50.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 18.03 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.4 p -83.28 150.91 25.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.547 -0.751 . . . . 13.17 110.205 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.96 -32.21 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.431 0.634 . . . . 13.17 109.591 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.74 -43.36 96.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.504 -0.771 . . . . 36.51 110.401 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.09 -35.84 82.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.048 0.452 . . . . 25.66 110.008 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.24 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.848 -0.615 . . . . 13.17 109.631 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.54 -39.93 89.69 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.968 -0.56 . . . . 15.47 110.391 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.64 98.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.727 -0.669 . . . . 13.17 110.805 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.836 -0.431 . . . . 24.98 109.836 179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.19 -41.96 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 13.17 110.054 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -70.44 -28.53 65.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 14.76 110.384 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.72 -46.92 62.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 26.29 111.724 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -88.79 -36.31 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.983 0.734 . . . . 30.06 112.983 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -94.25 -58.47 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.766 0.317 . . . . 25.19 110.945 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.08 13.38 6.5 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.457 -0.878 . . . . 13.17 113.077 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -88.2 117.15 68.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 122.685 -0.303 . . . . 13.17 110.463 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -58.56 132.96 51.39 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.648 2.232 . . . . 13.17 112.157 179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.72 -26.02 54.18 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.295 2.663 . . . . 13.17 113.217 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.43 -39.1 72.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.474 . . . . 35.55 111.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -101.74 14.09 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.342 . . . . 20.52 111.077 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.59 96.58 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 13.17 111.101 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 ttt180 -100.69 94.76 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.82 -0.807 . . . . 36.39 108.82 178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -77.86 121.94 24.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.204 0.526 . . . . 13.17 111.03 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 26.6 mm -117.49 126.61 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.333 -0.848 . . . . 13.9 109.774 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.474 ' CE1' ' HA ' ' A' ' 28' ' ' GLN . 90.4 t80 -158.43 151.15 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.599 -0.273 . . . . 13.17 110.647 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 23.45 13.67 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.968 -0.56 . . . . 13.17 112.041 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.46 16.57 80.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.913 -0.66 . . . . 13.93 112.679 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -140.67 177.67 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.894 0.378 . . . . 13.17 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -96.87 135.06 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 23.23 110.198 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' B' ' 45' ' ' PHE . 20.7 mt -89.22 122.43 32.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 13.17 110.208 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -84.37 150.54 25.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.991 -0.549 . . . . 33.44 110.538 -179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.21 -43.8 90.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.213 0.82 . . . . 28.37 113.213 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 35.43 2.66 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.999 -0.619 . . . . 15.0 114.076 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -127.91 167.35 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.426 -0.455 . . . . 25.5 110.029 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 p -108.05 170.86 7.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.432 -0.349 . . . . 13.17 110.639 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -64.98 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.981 0.42 . . . . 13.17 110.927 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -13.26 61.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 13.59 111.405 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -78.35 -18.47 55.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.697 0.284 . . . . 13.17 110.958 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.24 16.2 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 13.17 111.173 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 58.88 34.94 23.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.397 0.618 . . . . 25.45 111.271 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.7 mt -83.11 107.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.408 -0.589 . . . . 14.6 109.408 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -109.8 -166.75 1.12 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.923 -0.58 . . . . 33.23 110.289 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -68.59 154.56 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.51 -0.314 . . . . 25.97 110.635 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 69.24 -2.3 1.88 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.862 -0.608 . . . . 32.61 112.629 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -72.63 139.02 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.949 -0.389 . . . . 13.17 109.949 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.565 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 25.7 m -113.54 109.34 18.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.254 0.549 . . . . 13.17 110.563 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.77 149.6 26.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 13.17 110.498 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -95.65 104.78 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.572 -0.529 . . . . 16.3 109.572 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.59 102.19 13.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 13.17 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.37 122.81 43.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.771 -0.65 . . . . 13.17 110.763 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 tp -78.54 107.53 11.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.651 -0.5 . . . . 19.57 109.651 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -71.75 118.12 14.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.275 -0.421 . . . . 35.08 109.907 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.8 120.86 10.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 32.31 111.128 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -136.89 106.33 6.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.973 -0.558 . . . . 42.75 110.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.66 69.69 0.88 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.529 -0.843 . . . . 36.31 111.986 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 N-CA-C 110.973 -0.851 . . . . 36.27 110.973 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.8 0.333 . . . . 51.18 110.181 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -75.29 100.06 4.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.42 -0.355 . . . . 52.33 110.33 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.505 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 21.7 t -61.26 -51.11 80.51 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.072 -0.513 . . . . 45.08 111.958 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.505 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 50.4 Cg_exo -55.81 -45.62 37.57 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.753 1.635 . . . . 40.03 112.196 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -64.88 -47.15 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.089 -0.505 . . . . 35.39 110.289 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 28.0 t-20 -61.51 -45.6 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 39.28 110.786 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -59.93 -45.75 91.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 39.58 110.59 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 1.9 tpp85 -59.46 -44.46 92.99 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.7 -0.481 . . . . 38.87 109.7 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.1 mt -66.01 -37.62 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.621 -0.718 . . . . 24.59 111.141 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 55.0 mt -61.33 -46.36 90.6 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.149 0.499 . . . . 25.03 109.825 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 41.9 mt-10 -63.82 -42.0 97.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.686 -0.688 . . . . 36.37 110.512 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.496 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 29.6 mt-10 -66.33 -32.82 74.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.964 0.411 . . . . 25.08 110.35 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.96 -44.95 75.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 28.37 109.847 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.24 -32.75 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.522 -0.763 . . . . 45.48 110.193 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 36.0 mt-10 -61.13 -39.59 90.61 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.366 -0.379 . . . . 35.52 110.552 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.81 -32.6 81.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.921 -0.657 . . . . 31.25 112.056 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -80.06 -31.56 39.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.21 0.528 . . . . 42.74 110.327 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.48 0.56 41.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 47.38 110.648 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.63 39.19 96.2 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.91 -0.586 . . . . 34.95 113.045 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.9 137.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 28.2 111.487 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.99 -177.17 17.63 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.004 -0.617 . . . . 24.59 112.269 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -69.41 -37.37 77.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 24.59 109.988 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.95 -15.6 4.55 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.691 -0.766 . . . . 24.59 112.997 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 56' ' ' ILE . 37.1 p -83.98 -7.77 59.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 24.59 111.481 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 m -120.85 129.04 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.813 -0.63 . . . . 24.59 110.128 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.9 m -142.36 140.43 32.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 24.59 110.408 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -144.62 179.27 7.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.431 -0.349 . . . . 24.59 110.7 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -179.65 44.03 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.624 -0.59 . . . . 24.59 111.624 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 134.53 41.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.081 0.441 . . . . 25.73 110.119 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.72 -60.78 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.374 -0.376 . . . . 44.86 110.765 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 12.0 t70 -74.76 -40.12 61.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 55.38 111.431 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 9.0 t70 75.54 -44.59 0.52 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.346 0.659 . . . . 59.05 111.187 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -75.02 -45.45 41.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.063 0.459 . . . . 62.12 110.138 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.38 108.66 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.715 -0.675 . . . . 57.57 109.499 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.4 mtt -81.87 23.02 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.291 0.849 . . . . 49.86 113.291 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.1 p -80.46 -23.52 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.424 -0.584 . . . . 34.17 109.424 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.8 mt 57.81 37.18 26.99 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 114.681 -1.145 . . . . 26.52 111.247 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 74' ' ' CYS . 36.2 m -93.13 -39.1 11.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 24.59 110.553 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -100.67 122.13 42.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 40.81 110.624 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -122.69 151.82 41.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.996 -0.547 . . . . 24.59 111.007 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -112.5 141.48 46.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.307 -0.627 . . . . 26.25 109.307 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.68 145.53 17.57 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.753 -0.736 . . . . 24.59 111.489 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' MET . . . . . 0.405 ' SD ' HG21 ' A' ' 67' ' ' ILE . 2.7 ttp -135.2 124.96 25.36 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.832 -0.433 . . . . 24.59 109.832 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.97 126.66 68.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.121 -0.49 . . . . 24.59 110.408 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -89.39 107.47 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.834 -0.802 . . . . 24.59 108.834 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.537 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -49.98 137.17 23.55 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.811 -0.631 . . . . 24.59 114.415 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.43 140.72 37.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.229 2.62 . . . . 24.59 112.543 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.74 166.79 23.06 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.536 2.157 . . . . 24.59 112.198 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 71.12 14.64 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.797 -0.638 . . . . 32.61 111.189 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -134.4 -178.65 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.127 -0.694 . . . . 24.59 109.127 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -77.61 -5.81 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.084 0.469 . . . . 24.59 110.32 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.537 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 11.8 m-85 -104.18 13.26 32.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 24.59 109.679 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.6 109.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.674 0.62 . . . . 37.17 112.674 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 57.2 29.32 16.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.482 -0.781 . . . . 30.81 111.176 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.4 123.85 35.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.648 -0.501 . . . . 25.62 109.648 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.405 HG21 ' SD ' ' A' ' 54' ' ' MET . 78.9 mt -84.97 112.68 22.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.379 -0.373 . . . . 24.59 111.039 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.405 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 42.4 m-85 -108.15 121.35 44.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.075 -0.343 . . . . 24.59 110.075 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -94.6 131.89 39.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 24.59 110.66 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -125.88 155.7 40.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 24.59 110.653 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.63 121.42 27.0 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.551 -0.907 . . . . 33.44 108.551 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.5 t -113.28 128.72 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.032 0.444 . . . . 24.59 111.353 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.55 105.28 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 42.22 109.457 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.448 ' O ' HG22 ' A' ' 49' ' ' THR . 55.7 m -88.56 100.93 13.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 25.59 110.291 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 -178.38 17.53 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.916 -0.583 . . . . 26.42 113.497 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.63 -6.64 18.3 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.214 2.61 . . . . 31.44 112.558 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -93.06 -6.69 47.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.613 -0.267 . . . . 44.64 110.87 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.458 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.4 t80 -67.29 139.78 94.99 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 109.566 -0.531 . . . . 29.6 109.566 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.504 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 65.3 Cg_endo -99.26 21.16 23.2 Favored 'Cis proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.192 0.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -70.88 -41.5 71.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.845 0.355 . . . . 36.76 111.128 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.75 154.42 43.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.016 -0.538 . . . . 30.58 110.255 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.98 129.21 18.0 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.572 2.182 . . . . 28.58 112.293 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.02 171.73 17.35 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.552 2.168 . . . . 24.59 111.732 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.17 114.87 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.706 0.289 . . . . 29.16 110.439 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.98 129.42 69.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 24.59 110.645 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -146.35 159.2 43.69 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.758 0.313 . . . . 41.41 110.732 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -102.16 143.46 31.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 24.59 110.857 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.79 -43.97 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.549 -0.537 . . . . 24.59 109.549 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.2 143.47 28.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.672 -0.694 . . . . 24.59 109.779 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 71.8 mttt -65.61 125.55 25.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 35.04 111.407 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.405 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.9 tt -141.37 130.53 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 24.59 110.339 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.98 84.82 3.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.985 0.421 . . . . 24.59 110.014 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.9 ttp -126.63 146.04 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 24.59 110.001 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.19 113.36 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 27.45 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.71 -9.41 14.52 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.716 -0.754 . . . . 24.59 112.673 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.8 mt -111.04 135.39 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.913 0.387 . . . . 24.59 111.131 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.29 132.96 41.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 26.32 109.327 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -83.55 -0.63 51.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.215 0.82 . . . . 24.59 113.215 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m -102.23 -59.27 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.972 -0.455 . . . . 31.16 111.53 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.91 -26.12 17.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.891 0.33 . . . . 30.09 111.891 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.99 21.53 35.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.494 -0.86 . . . . 25.64 112.009 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.5 mtp -82.3 139.38 34.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.787 0.327 . . . . 38.85 110.613 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.0 t -100.28 129.01 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 25.28 110.601 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.576 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 34.3 t0 -70.53 119.58 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 34.12 110.629 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.41 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 29.16 112.652 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.576 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 14.3 ptt-85 -74.18 -4.08 33.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 52.63 111.694 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 m -96.45 -12.46 24.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.183 0.516 . . . . 34.05 110.209 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.2 mm -111.39 118.92 46.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.586 -0.524 . . . . 26.63 109.586 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.76 -44.81 25.76 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.347 2.698 . . . . 26.05 114.438 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.0 m -71.26 -25.27 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.428 0.529 . . . . 25.84 112.428 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.84 -38.72 14.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.838 0.351 . . . . 24.59 110.642 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.09 89.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.111 0.482 . . . . 28.65 110.265 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 57.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.799 -0.815 . . . . 39.1 108.799 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -66.09 139.66 58.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.487 -0.779 . . . . 29.08 112.261 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -128.32 148.8 50.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.774 -1.103 . . . . 45.36 108.513 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 30.0 p30 -67.42 -13.16 61.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.102 0.477 . . . . 37.64 110.79 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 0.26 35.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.956 -0.565 . . . . 26.71 110.406 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -91.09 -177.34 4.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.084 -0.507 . . . . 24.59 110.074 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 p -166.8 -179.17 4.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.914 -0.584 . . . . 24.59 109.749 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.7 mt -64.89 -34.6 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 24.59 109.742 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -59.9 -42.17 93.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.357 -0.838 . . . . 24.78 109.445 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.63 -39.69 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 24.59 110.832 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.18 -49.55 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 24.59 111.027 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.95 -41.28 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 24.59 111.186 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.32 -40.7 96.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.913 0.387 . . . . 24.59 110.62 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 30.3 110.727 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.18 -44.73 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 24.59 111.326 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -63.71 -34.08 77.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.721 0.296 . . . . 24.59 110.835 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -68.49 -38.23 80.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 27.05 109.849 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.22 -23.02 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.467 -0.788 . . . . 24.59 110.871 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.6 mtt -75.4 -18.76 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.263 0.554 . . . . 24.59 109.779 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.78 -0.55 55.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 24.59 110.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -65.72 147.06 54.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 25.92 110.491 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -54.47 -37.34 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 29.78 111.55 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -87.26 14.39 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.762 0.652 . . . . 28.22 112.762 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -137.12 -37.34 0.65 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.396 0.517 . . . . 24.59 112.396 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.3 ptm -61.23 -21.34 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.656 0.984 . . . . 24.59 113.656 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -121.39 30.65 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.353 0.501 . . . . 35.29 112.353 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 39.8 mt -89.32 141.97 29.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.836 -0.431 . . . . 24.59 109.836 178.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -60.64 123.74 13.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.577 2.185 . . . . 24.59 111.103 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.9 143.87 27.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.808 0.337 . . . . 24.59 111.646 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.18 157.76 60.42 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 122.475 2.116 . . . . 26.0 111.601 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.55 130.16 21.4 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.132 2.555 . . . . 30.09 112.591 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.65 133.6 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 46.96 110.9 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.88 -12.11 32.16 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.598 -0.81 . . . . 36.35 112.229 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.34 123.79 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.989 0.424 . . . . 36.19 110.769 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.22 147.38 36.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.936 -0.575 . . . . 36.38 110.42 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 55.2 m-85 -66.27 -38.26 87.4 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.38 -0.6 . . . . 44.37 109.38 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -113.96 127.69 56.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.436 -0.802 . . . . 53.87 109.573 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.001 -0.999 . . . . 55.71 110.59 -179.283 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.069 -0.345 . . . . 17.17 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -97.13 119.92 36.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 21.89 111.036 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -110.6 168.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.519 -0.548 . . . . 13.17 109.519 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.452 ' O ' ' HA ' ' B' ' 66' ' ' THR . 60.9 m-85 -118.19 138.54 52.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.726 0.298 . . . . 13.17 110.267 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.4 t -123.64 112.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.486 -0.561 . . . . 13.17 109.486 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -107.59 120.45 42.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.928 0.394 . . . . 20.55 111.227 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 0.7 OUTLIER -85.88 159.25 19.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.811 -0.631 . . . . 13.17 109.318 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -59.03 -19.68 46.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.949 0.404 . . . . 19.31 111.468 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -21.71 62.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.464 . . . . 23.14 111.039 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.84 -4.73 30.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 19.74 112.518 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -79.63 123.98 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.863 0.363 . . . . 21.93 110.697 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -113.99 107.93 16.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.166 -0.47 . . . . 13.17 109.923 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -101.41 166.19 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.997 -0.547 . . . . 17.08 111.213 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 148.41 32.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.979 -0.555 . . . . 16.3 109.825 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -142.13 128.85 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.834 0.349 . . . . 15.88 111.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -94.55 103.91 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 28.9 109.749 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.34 168.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 13.17 111.365 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 82.0 mm-40 -112.17 153.12 44.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 18.17 109.808 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.98 -18.83 52.45 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.92 2.413 . . . . 13.17 113.115 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -1.15 57.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.147 -0.479 . . . . 13.17 111.526 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -82.23 154.97 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 18.03 111.437 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 46.0 p -91.67 154.46 18.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.58 -0.736 . . . . 13.17 110.565 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.51 -30.08 48.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.213 0.53 . . . . 13.17 110.098 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.36 -47.38 86.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.527 -0.76 . . . . 36.51 110.527 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -66.36 -31.95 73.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 25.66 110.16 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.01 -46.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 13.17 109.744 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.24 -34.4 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.617 -0.72 . . . . 15.47 110.666 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.92 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 13.17 110.747 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.97 -40.27 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 24.98 110.057 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.64 -38.03 81.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.55 . . . . 13.17 109.791 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -66.52 -33.88 76.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 14.76 110.636 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.08 -41.2 74.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 26.29 112.281 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -92.55 -47.67 7.01 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.13 0.789 . . . . 30.06 113.13 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -86.57 -24.22 25.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.312 0.486 . . . . 25.19 112.312 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.88 11.35 79.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.523 -0.846 . . . . 13.17 112.403 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.2 mt -86.07 119.25 71.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.36 -0.237 . . . . 13.17 110.36 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_exo -61.78 133.67 46.26 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.479 2.119 . . . . 13.17 112.205 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -57.63 -24.04 60.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.101 2.534 . . . . 13.17 112.597 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.92 -22.33 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.596 . . . . 35.55 110.866 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.473 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 12.6 mt-30 -109.61 15.43 22.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 20.52 110.501 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -104.93 120.2 40.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 13.17 111.796 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.404 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 1.4 tpp180 -118.72 106.35 12.48 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.417 -0.957 . . . . 36.39 108.417 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.5 mt -92.76 113.22 25.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 13.17 111.49 -178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.95 127.34 66.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.558 -0.747 . . . . 13.9 109.865 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -156.9 149.45 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.856 -0.156 . . . . 13.17 110.869 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.64 29.35 13.47 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.812 0.695 . . . . 13.17 111.884 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.91 32.91 78.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.035 -0.602 . . . . 13.93 112.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -150.21 177.6 9.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.951 0.405 . . . . 13.17 110.82 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.51 128.65 54.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.758 -0.656 . . . . 23.23 109.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 21.1 mt -82.6 111.74 18.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.515 -0.311 . . . . 13.17 110.331 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.443 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 24.1 tt0 -73.41 134.05 43.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.478 -0.328 . . . . 33.44 110.35 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.48 -41.8 69.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 28.37 111.942 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 -7.09 82.28 Favored Glycine 0 CA--C 1.52 0.392 0 CA-C-N 116.012 -0.54 . . . . 15.0 114.228 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.443 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -93.87 173.28 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.611 0.706 . . . . 25.5 110.661 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.9 p -104.69 168.88 8.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 13.17 111.129 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.6 mt -66.3 -31.58 72.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 13.17 110.597 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -18.51 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.543 . . . . 13.59 111.431 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.488 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.7 m-20 -61.91 -35.82 79.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.95 0.405 . . . . 13.17 111.225 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -107.82 15.17 24.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 13.17 111.358 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 t30 56.86 43.16 25.38 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.774 -0.648 . . . . 25.45 111.41 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -79.28 116.34 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.697 -0.483 . . . . 14.6 109.697 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -92.95 -177.64 4.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 33.23 111.322 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -79.65 159.58 26.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.648 . . . . 25.97 109.936 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.5 8.06 2.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.84 0.456 . . . . 32.61 112.228 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.1 m -80.46 144.18 32.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.857 -0.423 . . . . 13.17 109.857 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -104.36 106.81 17.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.018 0.437 . . . . 13.17 111.724 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.92 142.45 40.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.795 -0.639 . . . . 13.17 109.521 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -91.12 106.8 18.77 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.556 -0.535 . . . . 16.3 109.556 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' B' ' 7' ' ' THR . 47.6 tp -92.27 106.63 18.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 13.17 111.085 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 56' ' ' ILE . 1.9 t -96.79 130.12 45.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.454 -0.943 . . . . 13.17 108.454 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 tp -86.95 123.45 32.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 19.57 111.602 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.473 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 63.4 ttp85 -86.8 123.03 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.163 -0.68 . . . . 35.08 109.163 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.78 113.37 20.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.115 0.483 . . . . 32.31 110.738 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -111.45 112.69 24.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.738 -0.665 . . . . 42.75 110.05 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.67 54.97 2.52 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.638 -0.791 . . . . 36.31 111.572 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 CA-C-O 119.025 -0.875 . . . . 36.27 111.653 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.052 -0.351 . . . . 51.18 110.052 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.34 94.88 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.504 -0.316 . . . . 52.33 110.171 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 6.2 t -57.37 -51.02 84.79 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.5 0.556 . . . . 45.08 112.5 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.49 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 32.5 Cg_exo -58.29 -38.81 89.15 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.871 1.714 . . . . 40.03 112.06 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -70.88 -45.89 63.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 35.39 110.404 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -55.65 -53.06 61.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 39.28 111.146 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 30.7 t80 -65.77 -36.23 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.371 . . . . 39.58 110.731 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 tpp85 -59.97 -44.49 94.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 38.87 109.919 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.7 mt -63.95 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.649 . . . . 24.59 110.229 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.14 -36.88 85.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.148 -0.478 . . . . 25.03 110.74 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 18' ' ' PHE . 38.3 mt-10 -64.96 -54.65 27.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 36.37 110.158 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.83 -37.28 76.07 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.897 -0.592 . . . . 25.08 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.05 -50.34 64.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.518 -0.764 . . . . 28.37 110.86 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.22 -40.6 96.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 45.48 111.062 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.51 -51.15 70.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.838 0.351 . . . . 35.52 110.263 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.67 -39.09 95.17 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.831 -0.622 . . . . 31.25 112.361 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -20.87 64.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 42.74 110.921 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -93.46 -2.32 54.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.419 -0.355 . . . . 47.38 110.359 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.74 10.15 81.77 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.066 -0.588 . . . . 34.95 114.157 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.07 119.74 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.052 0.426 . . . . 28.2 110.462 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.42 176.34 37.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.487 -0.863 . . . . 24.59 112.494 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.1 -55.16 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.156 0.503 . . . . 24.59 111.106 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.22 -36.28 2.16 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.798 -0.715 . . . . 24.59 111.667 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.41 ' O ' HG13 ' A' ' 56' ' ' ILE . 42.5 p -78.19 -14.16 59.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.464 0.65 . . . . 24.59 110.349 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -141.76 144.95 24.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.027 -0.988 . . . . 24.59 109.242 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m -155.92 159.35 39.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.451 -0.203 . . . . 24.59 110.451 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -131.3 167.76 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 24.59 110.548 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.05 -171.89 34.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 24.59 111.935 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.809 0.338 . . . . 25.73 111.192 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -122.27 34.66 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.515 . . . . 44.86 110.313 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.521 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 8.9 t70 -163.71 -51.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 55.38 111.638 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.521 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 3.8 t70 76.98 -46.8 0.51 Allowed 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.834 0.709 . . . . 59.05 111.538 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -72.14 -46.51 56.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 62.12 110.71 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.403 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 61.7 t0 -59.4 120.06 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.748 -0.66 . . . . 57.57 110.97 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 mtt -93.17 -1.64 56.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 49.86 111.803 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.403 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 73.0 p -79.75 -23.67 42.1 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.446 -0.502 . . . . 34.17 109.978 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 52.43 66.86 1.09 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.21 -0.905 . . . . 26.52 111.32 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -101.88 -40.34 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 24.59 111.652 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -98.72 113.67 25.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.746 0.307 . . . . 40.81 110.55 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -109.39 143.87 38.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.261 0.553 . . . . 24.59 110.7 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -91.23 132.0 36.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.672 -0.695 . . . . 26.25 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.7 146.46 16.37 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.925 -0.87 . . . . 24.59 110.925 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 ttp -144.6 129.51 18.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.107 0.454 . . . . 24.59 110.583 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.13 124.9 73.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.83 -0.623 . . . . 24.59 110.262 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.442 HD11 HG21 ' A' ' 56' ' ' ILE . 1.9 mt -90.7 115.96 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.286 -0.635 . . . . 24.59 109.286 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.662 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -46.82 125.85 9.47 Favored Glycine 0 CA--C 1.522 0.494 0 O-C-N 123.867 0.729 . . . . 24.59 114.256 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.427 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 23.7 Cg_exo -65.55 138.66 55.44 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.989 2.46 . . . . 24.59 112.5 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 24.7 Cg_exo -63.82 160.6 36.26 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.551 2.168 . . . . 24.59 112.403 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 67.42 18.79 10.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.581 -0.736 . . . . 32.61 111.952 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 177.56 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 24.59 110.108 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -73.58 -13.65 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 24.59 110.323 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.662 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 55.6 m-85 -95.27 -2.49 49.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 24.59 110.707 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.17 132.2 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.644 0.609 . . . . 37.17 112.644 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 t30 63.99 22.29 12.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.08 -0.964 . . . . 30.81 112.152 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -111.44 125.21 53.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.921 0.391 . . . . 25.62 110.845 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -92.94 109.75 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.15 -0.477 . . . . 24.59 109.942 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.463 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 57.4 m-85 -101.0 121.51 41.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.223 -0.444 . . . . 24.59 111.056 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -90.8 134.6 34.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.679 -0.691 . . . . 24.59 109.901 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.417 HD22 ' CZ ' ' A' ' 87' ' ' PHE . 6.1 mp -126.9 160.18 31.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.121 0.486 . . . . 24.59 111.164 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.06 122.65 27.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.465 -0.789 . . . . 33.44 109.034 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.54 123.35 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.983 0.421 . . . . 24.59 110.81 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.19 122.4 46.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.092 -0.504 . . . . 42.22 109.967 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 50.5 m -89.34 138.54 31.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.924 -0.58 . . . . 25.59 110.582 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.13 178.52 46.48 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.808 -0.711 . . . . 26.42 112.266 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.19 -5.88 17.94 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.827 2.351 . . . . 31.44 113.264 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -109.87 14.99 22.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 44.64 110.66 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.7 t80 -72.93 141.87 82.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.394 -0.595 . . . . 29.6 109.394 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.464 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 83.6 Cg_endo -97.0 25.52 21.12 Favored 'Cis proline' 0 C--N 1.347 0.491 0 C-N-CA 124.45 -1.063 . . . . 27.94 113.554 0.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -75.58 -30.42 59.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.288 0.566 . . . . 36.76 109.83 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.91 149.25 40.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 30.58 110.372 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.72 134.34 37.48 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.7 2.267 . . . . 28.58 112.348 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 159.92 32.92 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.687 2.258 . . . . 24.59 112.249 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 115.88 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.119 -0.491 . . . . 29.16 110.453 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 39.0 t -115.17 138.58 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 24.59 110.984 -179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -151.12 154.83 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 41.41 110.271 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.417 ' CZ ' HD22 ' A' ' 70' ' ' LEU . 34.7 m-85 -99.73 143.28 30.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 24.59 110.279 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.4 t -93.23 -48.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.197 0.522 . . . . 24.59 109.788 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 145.53 36.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.712 -0.676 . . . . 24.59 110.184 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 83.3 mttt -66.43 118.53 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 35.04 110.749 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.463 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.5 tt -136.37 136.69 48.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.523 -0.762 . . . . 24.59 110.768 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -101.46 92.72 5.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.937 -0.764 . . . . 24.59 108.937 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.9 ttt -132.33 138.75 47.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.495 -0.775 . . . . 24.59 110.169 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.05 100.55 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 27.45 110.85 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.14 -7.52 6.03 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.12 -0.562 . . . . 24.59 112.205 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.39 132.53 63.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 24.59 110.384 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.83 139.92 57.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 26.32 110.717 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -84.77 -3.95 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.176 0.806 . . . . 24.59 113.176 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 -54.8 2.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.675 -0.41 . . . . 31.16 111.411 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 p -90.96 -30.21 16.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 30.09 111.537 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.43 13.57 65.31 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.609 -0.805 . . . . 25.64 111.661 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.2 mtp -74.91 144.81 43.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.229 -0.285 . . . . 38.85 110.229 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -96.57 133.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 25.28 110.79 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 14.4 t0 -77.49 124.07 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.624 -0.51 . . . . 34.12 109.624 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.22 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.732 0.641 . . . . 29.16 112.732 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.586 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 26.1 ptt-85 -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.84 -0.344 . . . . 52.63 111.733 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -90.01 -16.7 29.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 34.05 110.43 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.7 mm -110.8 118.89 47.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 26.63 109.941 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.42 -45.27 27.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.535 2.823 . . . . 26.05 114.359 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 30.0 m -70.41 -17.13 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 112.695 0.628 . . . . 25.84 112.695 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.03 -44.85 6.81 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 24.59 109.822 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.56 -40.26 96.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 28.65 109.763 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 50.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.371 -0.831 . . . . 39.1 108.974 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -58.88 135.25 57.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.297 -0.865 . . . . 29.08 111.997 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -115.85 143.14 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.101 -0.954 . . . . 45.36 108.889 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -72.99 -0.49 13.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 37.64 110.704 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.97 6.99 46.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 26.71 110.126 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -100.28 178.71 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 24.59 110.797 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.2 p -154.49 -179.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 24.59 110.413 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.69 -39.85 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 24.59 110.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.68 -41.61 86.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.755 -0.657 . . . . 24.78 110.694 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.87 -44.45 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.597 . . . . 24.59 110.705 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 22.0 t -63.73 -46.26 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.564 . . . . 24.59 110.492 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.77 -43.34 90.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.152 -0.476 . . . . 24.59 110.591 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -64.36 -41.28 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 24.59 110.787 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.94 -42.92 89.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 97.3 mt -59.86 -45.37 92.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 24.59 110.303 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -67.11 -30.71 70.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 24.59 110.6 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -66.83 -42.57 85.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.17 -11.38 60.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.668 -0.696 . . . . 24.59 111.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.6 mtt -79.49 -19.99 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.266 0.555 . . . . 24.59 109.603 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.2 mtm -95.68 1.46 53.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.825 -0.625 . . . . 24.59 109.89 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.4 m -70.58 147.34 49.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.784 -0.644 . . . . 25.92 110.314 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -54.2 -34.63 61.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 29.78 112.401 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 pm0 -84.83 8.02 18.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.866 0.691 . . . . 28.22 112.866 -178.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -136.22 -41.6 0.65 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.354 0.502 . . . . 24.59 112.354 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 22.1 ptm -52.85 -25.68 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.959 1.096 . . . . 24.59 113.959 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -114.86 17.41 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.03 0.377 . . . . 35.29 112.014 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.1 mt -77.69 128.83 78.49 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.87 -0.332 . . . . 24.59 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.87 124.79 16.75 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.638 2.225 . . . . 24.59 111.464 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -99.99 141.71 23.27 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.288 -0.415 . . . . 24.59 111.1 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.64 164.76 34.67 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.496 2.131 . . . . 26.0 110.987 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -43.91 118.41 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.171 2.581 . . . . 30.09 112.895 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -60.64 138.83 58.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.74 . . . . 46.96 111.1 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 105.21 -24.62 27.33 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.61 . . . . 36.35 112.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -74.66 134.43 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.341 . . . . 36.19 110.282 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.8 p -114.22 161.64 17.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.301 -0.409 . . . . 36.38 110.817 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 50.6 m-85 -78.62 -10.1 59.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.521 . . . . 44.37 110.261 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -146.94 140.2 25.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.649 -0.705 . . . . 53.87 109.788 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.052 -0.975 . . . . 55.71 110.61 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.459 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.1 ptt? . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.877 0.37 . . . . 17.17 110.219 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -86.05 121.32 28.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 21.89 111.835 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -121.25 171.62 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.978 -0.749 . . . . 13.17 108.978 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.448 ' O ' ' HA ' ' B' ' 66' ' ' THR . 88.5 m-85 -129.75 132.82 46.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.975 -0.29 . . . . 13.17 110.618 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.423 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 24.2 t -112.01 115.57 50.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.623 -0.51 . . . . 13.17 109.623 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -107.19 115.91 31.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.154 -0.476 . . . . 20.55 110.543 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -80.91 173.96 12.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.244 -0.435 . . . . 13.17 110.331 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 16.8 mt -68.18 -12.51 61.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 19.31 110.395 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.57 -7.42 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 23.14 110.619 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.34 81.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.957 -0.639 . . . . 19.74 111.573 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -86.32 110.44 19.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.774 0.321 . . . . 21.93 110.169 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 m -96.25 116.16 28.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.006 -0.543 . . . . 13.17 109.861 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 45.0 pt -105.39 151.31 7.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.611 -0.268 . . . . 17.08 110.629 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.24 140.15 30.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.961 -0.385 . . . . 16.3 109.961 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.42 143.62 31.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.311 . . . . 15.88 110.641 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -111.35 113.52 26.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.333 -0.394 . . . . 28.9 110.264 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.459 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -139.09 164.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.37 -0.377 . . . . 13.17 110.292 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.553 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 65.4 mm-40 -101.47 151.99 37.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.543 -0.54 . . . . 18.17 109.543 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.46 -26.75 55.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.696 2.264 . . . . 13.17 112.792 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -88.96 7.7 33.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 13.17 111.847 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.553 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -80.75 139.73 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 18.03 110.867 -179.671 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 147.96 31.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.081 -0.509 . . . . 13.17 110.46 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.28 -34.5 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.331 0.586 . . . . 13.17 110.331 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.96 -44.33 82.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.224 -0.898 . . . . 36.51 111.419 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.466 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.6 t30 -67.93 -36.17 79.68 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.784 0.326 . . . . 25.66 110.291 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.37 -43.47 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 13.17 109.727 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.0 -42.47 99.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.566 -0.743 . . . . 15.47 110.487 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 13.17 110.935 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 34.7 mtpt -66.46 -38.34 87.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 24.98 110.42 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.74 -39.32 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.457 . . . . 13.17 109.774 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.01 -32.65 74.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 14.76 110.872 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.03 -34.93 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.199 -0.455 . . . . 26.29 111.981 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -99.79 -48.94 4.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.912 0.708 . . . . 30.06 112.912 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -82.53 -39.06 22.89 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.058 -0.257 . . . . 25.19 111.598 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.81 38.56 5.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 13.17 112.744 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -111.84 122.33 37.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.118 -0.327 . . . . 13.17 110.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.403 ' O ' ' HG3' ' B' ' 41' ' ' GLN . 49.2 Cg_exo -55.17 132.41 52.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.753 2.302 . . . . 13.17 112.149 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -57.13 -32.19 92.64 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.9 2.4 . . . . 13.17 112.166 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -32.07 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 35.55 110.9 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.75 13.68 25.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.131 -0.486 . . . . 20.52 110.358 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 61.1 mt-30 -104.8 113.74 27.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 13.17 111.024 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -119.5 97.13 5.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.612 -0.885 . . . . 36.39 108.612 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.4 mt -78.93 129.0 34.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.952 -0.567 . . . . 13.17 111.869 -178.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -122.73 130.22 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 13.9 109.481 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -152.51 139.8 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 13.17 111.008 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 28.02 13.85 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.701 -0.681 . . . . 13.17 112.317 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.06 25.57 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.799 -0.715 . . . . 13.93 112.826 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -142.21 151.88 42.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.677 0.275 . . . . 13.17 110.265 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.46 132.52 35.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 23.23 110.39 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 34.2 mt -85.17 93.89 8.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.165 0.507 . . . . 13.17 110.119 179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.97 142.94 52.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.263 -0.88 . . . . 33.44 111.713 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -47.85 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 28.37 111.906 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 42.86 2.94 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.174 -0.536 . . . . 15.0 113.797 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.471 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.9 mmp_? -136.54 162.23 33.67 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.81 -0.441 . . . . 25.5 109.81 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.9 p -105.77 174.99 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.583 0.23 . . . . 13.17 110.464 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 58.2 mt -68.28 -30.68 69.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 13.17 110.919 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -25.09 66.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.042 -0.527 . . . . 13.59 111.639 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.471 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 5.6 m-20 -62.73 -29.33 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 13.17 111.826 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -117.55 14.35 14.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.386 -0.37 . . . . 13.17 111.064 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 55.34 46.15 24.05 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.557 0.694 . . . . 25.45 110.998 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 85.1 mt -84.61 106.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.795 -0.639 . . . . 14.6 109.972 179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.54 -166.46 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.926 -0.579 . . . . 33.23 109.725 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -71.32 155.31 40.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.39 -0.226 . . . . 25.97 110.39 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 70.93 -8.65 0.93 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.382 0.673 . . . . 32.61 112.793 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.9 m -61.34 123.96 19.26 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.822 0.344 . . . . 13.17 110.672 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -88.86 93.3 9.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.939 -0.573 . . . . 13.17 111.404 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.63 139.66 45.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.23 -1.026 . . . . 13.17 108.23 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -102.08 116.09 31.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.291 -0.564 . . . . 16.3 110.809 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.9 tp -92.46 106.48 18.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.643 -0.708 . . . . 13.17 110.438 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.0 t -99.07 124.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.535 -0.757 . . . . 13.17 109.467 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.26 127.32 30.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.919 0.39 . . . . 19.57 110.748 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 26.1 ttp85 -82.83 95.11 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.494 -0.928 . . . . 35.08 108.494 178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.07 108.35 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 32.31 111.791 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -119.28 112.4 19.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 42.75 109.878 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.03 80.01 1.42 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.551 -0.833 . . . . 36.31 111.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 119.002 -0.888 . . . . 36.27 111.399 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.218 -0.289 . . . . 51.18 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -69.91 105.2 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 52.33 110.269 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.476 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 12.3 t -60.52 -49.63 89.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 45.08 111.802 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 51.8 Cg_exo -56.21 -39.16 93.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 121.953 1.769 . . . . 40.03 112.219 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -68.56 -45.66 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 35.39 110.377 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.13 -45.28 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 39.28 109.855 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.19 -41.37 88.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.597 -0.728 . . . . 39.58 109.932 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -58.72 -48.92 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.681 -0.69 . . . . 38.87 110.683 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.2 mt -60.86 -37.08 80.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 24.59 111.017 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.66 -28.86 68.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 25.03 110.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -80.97 -50.23 9.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.415 -0.357 . . . . 36.37 110.781 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' OE1' ' HB2' ' A' ' 119' ' ' SER . 8.6 mt-10 -59.9 -24.78 64.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.936 -0.575 . . . . 25.08 111.016 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.33 -52.51 64.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 28.37 110.652 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -70.02 -28.47 65.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 45.48 110.47 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.49 -43.74 98.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 35.52 110.271 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.02 -37.17 56.48 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.953 -0.642 . . . . 31.25 112.799 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.1 mt-30 -72.29 -7.43 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 42.74 111.8 -179.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -122.61 3.0 9.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 47.38 110.42 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.43 ' HA3' ' CD2' ' B' ' 68' ' ' HIS . . . 57.85 42.75 94.8 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.804 -0.635 . . . . 34.95 112.211 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.79 101.55 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.691 0.282 . . . . 28.2 111.307 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.08 -131.83 1.61 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.092 -0.575 . . . . 24.59 111.851 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -23.06 61.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.0 0.429 . . . . 24.59 110.404 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.56 -12.29 13.76 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.888 -0.672 . . . . 24.59 112.999 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 81.6 p -115.33 -42.72 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.932 0.366 . . . . 24.59 111.897 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.48 137.82 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 24.59 111.594 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -141.15 138.92 33.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 24.59 110.297 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 5.9 p90 -152.2 170.72 19.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.558 -0.534 . . . . 24.59 109.558 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.82 178.68 43.94 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.93 -1.128 . . . . 24.59 112.911 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 125.1 29.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.985 0.421 . . . . 25.73 110.392 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 40.3 tt0 -93.1 -33.02 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.109 -0.496 . . . . 44.86 110.575 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 2.8 m-20 -62.13 -57.67 10.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 55.38 111.672 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 4.4 t70 73.1 -49.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.234 0.614 . . . . 59.05 111.16 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.66 -7.22 54.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.153 0.501 . . . . 62.12 110.626 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.418 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 63.7 t0 -102.29 119.33 38.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 57.57 109.901 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -91.55 6.85 44.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.471 . . . . 49.86 112.187 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.418 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 81.2 p -86.4 -22.64 26.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.429 -0.508 . . . . 34.17 110.842 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mp 55.18 61.23 3.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.249 0.547 . . . . 26.52 110.112 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -105.9 -45.35 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.884 -0.598 . . . . 24.59 112.036 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 mtm180 -95.59 110.24 22.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.111 0.481 . . . . 40.81 110.785 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -108.14 138.68 44.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.796 -0.638 . . . . 24.59 110.56 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.422 ' OG1' ' HB2' ' A' ' 41' ' ' GLU . 18.4 m -99.43 122.31 42.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 26.25 109.947 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.52 142.32 17.51 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.603 -0.808 . . . . 24.59 111.705 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.3 ttp -131.98 125.8 32.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.781 0.324 . . . . 24.59 110.258 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.95 122.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.099 0.476 . . . . 24.59 110.643 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.2 pt -87.53 128.12 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.791 -0.64 . . . . 24.59 109.443 178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.614 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -56.65 129.91 49.49 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 116.114 -0.494 . . . . 24.59 113.343 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -63.11 144.28 92.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.743 2.295 . . . . 24.59 112.081 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -65.43 153.21 79.25 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.538 2.158 . . . . 24.59 112.31 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 69.0 24.24 6.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.52 -0.764 . . . . 32.61 112.251 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.744 -0.465 . . . . 24.59 109.744 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -77.76 -0.41 26.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 24.59 110.189 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.614 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 9.6 m-85 -113.14 16.48 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 24.59 110.883 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -57.9 119.98 7.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.891 0.377 . . . . 37.17 111.675 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 t30 69.98 15.11 7.81 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.104 -0.953 . . . . 30.81 111.851 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -91.59 145.83 24.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.968 -0.382 . . . . 25.62 109.968 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -118.91 110.51 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 24.59 109.828 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.419 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 51.2 m-85 -102.7 130.94 49.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.91 0.386 . . . . 24.59 111.011 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.47 136.15 38.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.663 -0.699 . . . . 24.59 110.45 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.08 149.8 50.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.519 . . . . 24.59 111.066 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -116.85 114.9 24.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 33.44 109.36 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.48 117.06 54.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.803 0.335 . . . . 24.59 110.266 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.44 114.27 27.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.038 -0.528 . . . . 42.22 110.276 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -80.85 106.53 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.862 -0.608 . . . . 25.59 110.946 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.87 170.11 33.49 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.812 -0.631 . . . . 26.42 112.812 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.42 -25.37 80.28 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.201 2.6 . . . . 31.44 113.163 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.61 7.6 38.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.612 -0.267 . . . . 44.64 111.468 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.439 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 85.0 t80 -71.73 140.79 84.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.287 -0.634 . . . . 29.6 109.287 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.439 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 87.0 Cg_endo -98.05 21.86 24.92 Favored 'Cis proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.549 -1.021 . . . . 27.94 113.116 0.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -71.13 -29.26 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.107 0.48 . . . . 36.76 110.094 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.7 154.8 57.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 30.58 109.985 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.91 132.39 28.16 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.692 2.261 . . . . 28.58 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.57 170.96 18.92 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.912 2.408 . . . . 24.59 112.428 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.41 114.52 21.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 29.16 110.395 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.5 t -119.05 133.31 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.398 -0.364 . . . . 24.59 110.567 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -152.59 154.37 35.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 41.41 110.536 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.46 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.124 -0.489 . . . . 24.59 110.431 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.19 -41.84 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.215 0.531 . . . . 24.59 109.695 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 143.51 29.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.621 -0.718 . . . . 24.59 110.167 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 94.1 mttt -67.81 117.52 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 35.04 110.773 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.419 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 6.8 tt -136.56 130.65 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.569 . . . . 24.59 111.057 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -88.88 91.86 8.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.133 -0.691 . . . . 24.59 109.133 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.7 ttt -129.8 147.2 51.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.894 -0.594 . . . . 24.59 110.391 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.23 105.07 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 27.45 111.039 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.21 -4.75 13.64 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.675 -0.774 . . . . 24.59 112.443 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.28 125.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.991 -0.374 . . . . 24.59 109.991 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.17 129.01 38.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 26.32 110.216 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -78.96 -5.94 55.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.997 0.74 . . . . 24.59 112.997 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -98.74 -57.81 2.1 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.9 -0.32 . . . . 31.16 111.677 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -93.86 -24.43 17.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.845 0.313 . . . . 30.09 111.845 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.34 63.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.668 -0.777 . . . . 25.64 112.04 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 82.3 mtp -75.92 140.85 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.863 0.363 . . . . 38.85 110.914 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.31 125.46 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 25.28 110.389 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.51 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 47.6 t0 -75.0 117.69 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 34.12 110.218 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.15 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 29.16 112.641 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.51 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 28.6 ptt-85 -78.07 -4.37 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.647 -0.421 . . . . 52.63 111.707 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -101.56 -4.02 27.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.518 . . . . 34.05 110.27 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.83 117.07 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.145 -0.687 . . . . 26.63 109.145 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.67 -49.42 13.52 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.316 2.678 . . . . 26.05 114.252 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 32.9 m -68.89 -18.15 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.673 0.62 . . . . 25.84 112.673 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -94.64 -36.27 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.945 0.402 . . . . 24.59 110.035 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.78 73.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 28.65 109.868 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -110.76 45.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.637 -0.711 . . . . 39.1 109.405 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.24 137.07 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.12 -0.946 . . . . 29.08 111.739 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -121.43 154.53 36.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.437 -0.801 . . . . 45.36 109.389 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -65.87 -15.03 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.166 0.508 . . . . 37.64 110.7 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 2.27 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.631 . . . . 26.71 111.056 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -91.04 169.15 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.897 0.38 . . . . 24.59 110.59 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.509 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 57.2 p -153.09 -176.62 5.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.942 -0.572 . . . . 24.59 110.436 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.09 -44.51 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.257 0.551 . . . . 24.59 110.532 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -60.43 -40.1 89.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.279 -0.873 . . . . 24.78 111.612 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.67 -43.16 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 24.59 110.861 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.29 -47.06 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 24.59 110.821 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.73 -44.31 90.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 24.59 111.407 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.6 -40.39 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 24.59 110.715 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.45 ' CD ' HH21 ' A' ' 129' ' ' ARG . 7.1 tp10 -65.92 -45.08 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 30.3 110.709 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.38 -45.45 91.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 24.59 111.081 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.6 ttt180 -66.26 -30.09 70.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 24.59 110.443 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.45 HH21 ' CD ' ' A' ' 126' ' ' GLU . 68.5 ttp85 -68.92 -41.56 77.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.519 . . . . 27.05 109.6 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.3 -19.06 63.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 24.59 110.728 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 62.5 mtt -74.45 -25.14 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.658 -0.497 . . . . 24.59 109.658 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 51.2 mtm -85.95 -10.05 55.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 24.59 110.167 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.3 m -66.81 140.25 57.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.597 . . . . 25.92 110.022 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -54.3 -28.48 42.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.153 0.502 . . . . 29.78 111.858 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.71 -13.03 61.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 28.22 112.424 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -128.25 -36.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.116 0.413 . . . . 24.59 112.116 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.5 ptm -56.39 -26.65 53.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.834 0.679 . . . . 24.59 112.834 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -111.88 31.24 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 35.29 111.588 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.7 mt -99.06 126.15 39.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.492 -0.322 . . . . 24.59 110.351 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.5 129.16 33.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.67 2.247 . . . . 24.59 111.109 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -107.41 143.55 27.43 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.544 -0.298 . . . . 24.59 111.621 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.73 167.15 21.95 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.949 2.433 . . . . 26.0 111.312 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.97 127.38 3.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.34 2.694 . . . . 30.09 112.992 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -62.37 121.86 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.2 -0.909 . . . . 46.96 111.345 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.61 24.83 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.529 -0.843 . . . . 36.35 112.621 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.16 133.93 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.364 . . . . 36.19 110.865 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 p -118.02 154.96 31.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.259 -0.428 . . . . 36.38 110.61 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 61.6 m-85 -72.24 -16.54 61.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 44.37 110.532 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -140.55 162.24 35.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 53.87 109.52 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.214 -0.898 . . . . 55.71 110.532 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.772 0.32 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -96.18 129.8 43.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.129 0.49 . . . . 21.89 111.542 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -130.92 165.8 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.706 -0.679 . . . . 13.17 109.218 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' B' ' 66' ' ' THR . 93.2 m-85 -121.18 140.44 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.604 0.24 . . . . 13.17 110.615 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.423 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 38.3 t -116.99 118.51 59.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.65 -0.5 . . . . 13.17 109.65 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -111.29 123.58 50.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.423 -0.353 . . . . 20.55 110.705 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -80.39 -177.65 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.17 -0.468 . . . . 13.17 111.147 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 40.7 mt -79.42 -20.46 47.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.354 0.597 . . . . 19.31 110.078 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -37.99 61.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.549 -0.75 . . . . 23.14 110.175 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.7 2.73 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.598 -0.728 . . . . 19.74 111.64 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -51.12 132.73 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.042 0.537 . . . . 21.93 111.79 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.8 m -123.49 123.36 40.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 13.17 109.969 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 30.7 pt -111.74 155.95 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 17.08 111.351 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 132.17 41.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.864 -0.607 . . . . 16.3 109.754 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -130.57 137.43 49.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.926 0.393 . . . . 15.88 110.628 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -113.06 106.54 14.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.9 -0.591 . . . . 28.9 109.761 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.473 ' O ' ' HG2' ' B' ' 1' ' ' MET . 6.6 m -139.15 164.43 25.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.088 -0.506 . . . . 13.17 110.335 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 79.5 mm-40 -98.93 154.8 37.18 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.262 -0.644 . . . . 18.17 109.262 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -24.67 75.03 Favored 'Trans proline' 0 N--CA 1.473 0.286 0 C-N-CA 122.294 1.996 . . . . 13.17 112.169 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 1.96 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 13.17 111.37 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.582 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -75.2 150.44 38.65 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.963 0.411 . . . . 18.03 111.16 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.435 ' O ' HG21 ' B' ' 26' ' ' VAL . 1.2 p -92.36 149.6 21.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.794 -0.639 . . . . 13.17 110.195 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -57.97 -32.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 13.17 110.352 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.25 -43.18 99.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 36.51 110.337 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -72.42 -32.32 66.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 25.66 110.043 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.435 HG21 ' O ' ' B' ' 22' ' ' THR . 70.7 t -60.52 -45.28 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 13.17 109.662 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.18 -33.23 75.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.606 -0.725 . . . . 15.47 110.411 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.92 94.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.657 -0.702 . . . . 13.17 110.458 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 60.9 mttt -68.84 -35.5 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.03 -0.532 . . . . 24.98 110.18 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.1 -45.27 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.84 -0.43 . . . . 13.17 109.84 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.48 -33.01 74.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.253 0.549 . . . . 14.76 110.347 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.33 -22.97 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.356 -0.838 . . . . 26.29 112.489 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 14.0 ptpt -119.07 -39.47 2.92 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.962 0.727 . . . . 30.06 112.962 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -29.27 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.836 0.31 . . . . 25.19 111.836 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 12.04 69.84 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.462 -0.875 . . . . 13.17 112.942 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.75 121.37 64.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.268 -0.271 . . . . 13.17 110.268 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -60.17 133.35 49.35 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.8 2.334 . . . . 13.17 112.527 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -57.53 -19.14 35.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.065 2.51 . . . . 13.17 112.509 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.03 -43.3 73.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.729 -0.669 . . . . 35.55 111.98 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -104.02 14.68 30.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.346 -0.388 . . . . 20.52 111.501 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -91.01 127.66 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.534 -0.303 . . . . 13.17 110.696 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.632 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.7 ttp180 -137.79 111.03 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.973 -0.751 . . . . 36.39 108.973 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -94.03 131.65 39.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 13.17 111.481 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.18 131.07 70.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.514 -0.766 . . . . 13.9 109.416 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -139.55 126.36 20.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.722 -0.217 . . . . 13.17 111.162 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.66 29.92 14.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.807 -0.633 . . . . 13.17 112.545 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.97 8.77 85.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.756 -0.735 . . . . 13.93 112.735 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -119.58 144.06 47.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 13.17 110.179 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -86.74 134.96 33.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.172 -0.467 . . . . 23.23 110.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.405 HD22 ' CD2' ' B' ' 59' ' ' TYR . 19.6 mt -91.2 115.52 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.459 -0.337 . . . . 13.17 110.92 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.82 140.94 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 33.44 110.383 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.54 -44.05 76.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.981 0.734 . . . . 28.37 112.981 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.61 -6.58 86.92 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.73 -0.748 . . . . 15.0 113.858 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -92.01 167.31 12.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.241 0.521 . . . . 25.5 110.902 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.1 p -104.14 174.38 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.868 -0.605 . . . . 13.17 110.992 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.69 -38.14 83.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 13.17 110.616 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -22.56 65.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.911 -0.586 . . . . 13.59 111.562 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.18 -25.62 68.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.942 0.401 . . . . 13.17 111.678 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.405 ' CD2' HD22 ' B' ' 50' ' ' LEU . 90.9 m-85 -116.38 15.75 15.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.339 -0.391 . . . . 13.17 111.079 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 60.16 39.22 19.65 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.677 0.611 . . . . 25.45 111.141 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 79.6 mt -78.89 121.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.914 -0.402 . . . . 14.6 109.914 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -105.4 174.24 5.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.579 . . . . 33.23 110.337 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 13.3 pttp -75.43 162.79 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.699 -0.482 . . . . 25.97 109.699 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.6 mp0 70.49 2.16 3.95 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.463 0.477 . . . . 32.61 111.593 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -81.75 158.53 24.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.662 0.268 . . . . 13.17 110.4 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.1 m -119.59 104.19 10.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.508 . . . . 13.17 110.749 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.77 141.03 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.767 -0.651 . . . . 13.17 109.375 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.43 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 2.7 m-70 -96.64 121.97 39.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.84 0.352 . . . . 16.3 110.653 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.49 92.76 9.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.326 0.584 . . . . 13.17 110.269 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.632 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t -93.37 93.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.397 -0.82 . . . . 13.17 109.438 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -54.3 139.95 34.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.273 0.559 . . . . 19.57 111.42 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.539 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 13.3 ttp180 -84.31 123.88 30.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.38 -0.827 . . . . 35.08 110.318 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.85 98.61 4.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.083 -0.508 . . . . 32.31 110.396 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.67 94.29 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 42.75 109.825 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.03 -169.34 33.42 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.862 -0.685 . . . . 36.31 111.753 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.788 -1.007 . . . . 36.27 111.844 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.96 -0.385 . . . . 51.18 109.96 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.22 112.59 1.97 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.406 . . . . 52.33 111.059 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.513 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 15.8 t -72.96 -51.77 6.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 45.08 111.709 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.513 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 52.8 Cg_exo -55.4 -39.44 91.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.936 1.757 . . . . 40.03 112.212 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -64.73 -51.1 64.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.798 -0.637 . . . . 35.39 110.503 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -40.28 89.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 39.28 110.325 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.01 -48.6 81.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.127 -0.488 . . . . 39.58 110.251 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -62.06 -43.5 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 38.87 110.75 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.89 -37.39 79.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 24.59 110.987 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -31.96 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 25.03 110.384 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.85 -38.81 66.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 36.37 109.937 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -60.33 -31.22 70.09 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.836 -0.62 . . . . 25.08 110.266 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.04 -48.05 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.801 -0.636 . . . . 28.37 110.223 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.84 -40.12 94.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 45.48 110.219 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -59.97 -36.82 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 35.52 110.435 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.78 68.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.173 -0.537 . . . . 31.25 112.454 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.96 -13.92 61.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.128 0.49 . . . . 42.74 111.086 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -100.13 -35.37 9.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 47.38 110.198 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.409 ' HA3' ' NE2' ' B' ' 68' ' ' HIS . . . 69.92 49.67 33.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.281 -0.728 . . . . 34.95 111.281 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 t -75.92 150.37 6.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.819 0.343 . . . . 28.2 110.841 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.47 -130.42 8.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.839 -0.696 . . . . 24.59 111.804 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.34 -41.07 92.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 24.59 110.557 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.14 -11.07 55.32 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.68 -0.771 . . . . 24.59 113.158 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -92.11 -52.19 4.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.127 0.489 . . . . 24.59 110.853 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -76.99 152.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.874 -0.603 . . . . 24.59 111.028 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -155.05 153.74 31.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 24.59 109.614 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.2 p90 -143.32 170.16 16.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 24.59 110.174 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.85 39.73 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.731 -0.747 . . . . 24.59 112.195 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 42' ' ' ASP . 6.1 mt -80.4 119.16 22.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 25.73 111.101 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' CD ' ' HZ2' ' A' ' 71' ' ' LYS . 1.3 tt0 -91.92 -7.8 48.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.802 -0.814 . . . . 44.86 108.802 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' HB2' HD21 ' A' ' 40' ' ' LEU . 1.1 m-20 -69.24 -35.85 76.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.034 -0.985 . . . . 55.38 109.888 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.41 -80.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.258 0.974 . . . . 59.05 113.461 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.84 -26.28 29.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.772 0.32 . . . . 62.12 111.658 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.95 118.77 21.27 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.342 -0.614 . . . . 57.57 109.342 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.3 mtt -93.77 20.5 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.049 0.759 . . . . 49.86 113.049 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 p -82.86 -18.3 40.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.657 -0.497 . . . . 34.17 109.657 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mp 58.47 57.43 3.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.377 -0.829 . . . . 26.52 110.848 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.73 -37.95 5.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.009 -0.542 . . . . 24.59 111.613 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -97.82 105.43 17.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.463 . . . . 40.81 110.908 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -111.51 142.45 43.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 24.59 110.022 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.33 132.85 53.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 26.25 109.244 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.02 18.16 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.227 -0.749 . . . . 24.59 111.227 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.5 ttp -133.31 129.97 38.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.113 0.482 . . . . 24.59 111.053 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -125.56 118.49 52.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.531 -0.758 . . . . 24.59 110.116 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 129.71 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.009 -0.541 . . . . 24.59 109.632 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.696 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.82 125.31 34.85 Favored Glycine 0 N--CA 1.446 -0.683 0 O-C-N 123.649 0.593 . . . . 24.59 112.631 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -61.94 142.6 93.56 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.773 2.316 . . . . 24.59 112.289 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -61.77 150.66 84.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.326 2.017 . . . . 24.59 111.939 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 73.28 -4.73 2.12 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.765 0.654 . . . . 32.61 112.765 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -100.21 175.53 5.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.971 -0.381 . . . . 24.59 109.971 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.81 -4.14 38.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.853 0.358 . . . . 24.59 111.009 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.696 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -103.42 4.55 36.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 24.59 109.928 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 40.9 tt0 -49.32 124.46 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.734 0.642 . . . . 37.17 112.734 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 69.2 m-80 76.89 -5.83 2.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.917 -1.038 . . . . 30.81 113.315 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.33 136.15 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 25.62 111.287 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.2 mt -104.5 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.008 -0.738 . . . . 24.59 109.008 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.676 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 29.1 m-85 -96.54 136.35 37.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.992 -0.549 . . . . 24.59 111.746 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 147.47 38.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.472 -0.786 . . . . 24.59 110.08 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 151.1 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 24.59 110.954 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HZ2' ' CD ' ' A' ' 41' ' ' GLU . 50.8 mmtt -104.06 115.53 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.648 -0.871 . . . . 33.44 108.648 177.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.24 125.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 24.59 110.742 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -120.27 111.1 17.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.001 -0.545 . . . . 42.22 110.54 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.21 117.07 21.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 25.59 110.054 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.1 173.86 52.34 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.118 -0.563 . . . . 26.42 112.979 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.51 -16.57 55.45 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.224 2.616 . . . . 31.44 112.972 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -100.06 13.73 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.627 -0.261 . . . . 44.64 111.436 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.554 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 36.5 t80 -72.31 140.5 82.48 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.876 -0.416 . . . . 29.6 109.876 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.554 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -98.23 19.61 27.02 Favored 'Cis proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.728 -0.947 . . . . 27.94 113.104 0.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -67.35 -37.92 84.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.161 0.505 . . . . 36.76 110.178 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.66 149.29 39.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.531 -0.759 . . . . 30.58 110.443 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.49 135.08 44.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.667 2.245 . . . . 28.58 112.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.94 158.89 27.45 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.972 2.448 . . . . 24.59 112.54 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.77 116.53 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 29.16 110.28 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -121.1 132.56 70.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 24.59 110.707 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -144.66 146.32 32.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 41.41 110.159 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.95 144.59 29.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 24.59 111.059 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.24 -47.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 24.59 109.789 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.488 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -84.24 149.63 25.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.867 -0.606 . . . . 24.59 110.723 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.575 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 96.4 mttt -66.69 119.92 12.59 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.822 0.344 . . . . 35.04 111.347 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.676 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 15.3 tt -141.23 131.46 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 24.59 110.987 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -97.36 85.23 3.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.133 -0.692 . . . . 24.59 109.133 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.9 ttt -124.77 137.98 54.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.349 -0.842 . . . . 24.59 109.757 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -60.53 113.22 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 27.45 111.08 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.95 -10.8 20.73 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.656 . . . . 24.59 112.046 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -108.02 128.4 63.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.799 0.333 . . . . 24.59 110.513 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -72.03 132.06 43.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 26.32 109.839 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -86.42 6.82 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.217 0.821 . . . . 24.59 113.217 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -98.24 -62.48 1.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.084 -0.385 . . . . 31.16 110.715 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 -16.23 16.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 30.09 111.108 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.15 12.44 60.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.615 -0.802 . . . . 25.64 112.363 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtp -65.82 131.04 45.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 38.85 111.237 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.9 t -89.26 125.48 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.686 -0.486 . . . . 25.28 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.65 110.79 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.777 -0.453 . . . . 34.12 109.777 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.01 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.696 0.628 . . . . 29.16 112.696 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.57 -11.99 61.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.715 0.293 . . . . 52.63 111.641 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.0 m -95.52 -4.35 44.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.765 0.317 . . . . 34.05 111.027 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.87 120.78 33.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.843 -0.429 . . . . 26.63 109.843 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.18 -47.79 20.75 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.459 2.773 . . . . 26.05 114.162 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.2 m -74.21 -14.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.907 0.706 . . . . 25.84 112.907 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.05 -38.19 9.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.731 -0.387 . . . . 24.59 110.486 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.55 -44.43 70.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.272 0.558 . . . . 28.65 109.945 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.35 40.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.455 -0.793 . . . . 39.1 109.384 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -55.44 128.26 33.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.097 -0.956 . . . . 29.08 111.986 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -110.5 152.7 26.05 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.96 -1.018 . . . . 45.36 108.845 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -68.16 -8.36 37.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.179 0.514 . . . . 37.64 110.514 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -2.39 58.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 26.71 110.677 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -93.47 170.9 9.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.579 . . . . 24.59 110.421 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -159.43 -179.91 8.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.946 -0.57 . . . . 24.59 109.996 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.92 -34.67 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.17 0.509 . . . . 24.59 110.652 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.89 -49.3 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.381 -0.827 . . . . 24.78 110.997 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.4 -41.18 91.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 24.59 111.401 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.75 -52.87 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 24.59 111.778 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.03 -41.07 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 24.59 111.502 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.23 -41.14 86.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.524 -0.307 . . . . 24.59 111.163 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -64.75 -44.09 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.437 -0.347 . . . . 30.3 110.533 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -44.34 91.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 24.59 110.487 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -67.16 -33.43 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 24.59 110.558 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -66.25 -41.45 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.619 -0.512 . . . . 27.05 109.619 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.18 -15.75 62.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.743 -0.662 . . . . 24.59 110.721 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 57.5 mtt -78.75 -24.47 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.28 0.562 . . . . 24.59 109.506 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.2 mtt -85.09 -7.79 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.789 . . . . 24.59 109.883 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.7 m -69.58 144.48 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.725 . . . . 25.92 110.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.78 -39.15 62.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.62 0.6 . . . . 29.78 112.62 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -72.38 -1.81 16.95 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.122 0.786 . . . . 28.22 113.122 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -131.37 -42.7 1.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.441 0.534 . . . . 24.59 112.441 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.2 ptm -52.84 -25.3 11.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.878 1.066 . . . . 24.59 113.878 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -121.14 40.48 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.485 -0.486 . . . . 35.29 112.222 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 19.7 mt -100.33 137.02 19.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.941 -0.392 . . . . 24.59 109.941 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.11 118.7 5.63 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.642 2.228 . . . . 24.59 111.402 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -100.22 143.02 25.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 24.59 111.637 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.34 168.64 20.43 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.002 2.468 . . . . 26.0 111.4 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -44.99 123.11 4.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.133 2.555 . . . . 30.09 113.029 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -64.35 127.55 31.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.638 -0.71 . . . . 46.96 110.575 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 114.1 -23.45 12.76 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.372 -0.918 . . . . 36.35 112.799 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.6 141.08 39.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 36.19 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.3 p -116.76 164.61 14.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 36.38 111.643 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.575 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 47.1 m-85 -82.55 -6.05 59.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.521 . . . . 44.37 110.279 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -137.19 131.54 32.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 53.87 110.412 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . 0.418 HD21 ' HA ' ' A' ' 150' ' ' ASN . 1.3 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.243 -0.884 . . . . 55.71 111.286 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.966 -0.383 . . . . 17.17 109.966 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -109.2 129.03 55.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.898 0.38 . . . . 21.89 110.768 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -114.83 158.33 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 13.17 109.861 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.09 107.96 17.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.489 -0.323 . . . . 13.17 110.455 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.481 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 39.1 t -93.98 107.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.288 -0.634 . . . . 13.17 109.288 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 66.1 tttt -103.96 127.67 51.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.649 -0.705 . . . . 20.55 110.978 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 175.02 9.38 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.911 -0.586 . . . . 13.17 109.511 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 mt -78.93 -1.93 37.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 19.31 110.087 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -5.03 45.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.63 -0.714 . . . . 23.14 110.562 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 -4.43 64.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.863 -0.684 . . . . 19.74 112.848 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -76.02 128.04 34.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.056 -0.35 . . . . 21.93 110.056 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -119.31 109.32 15.66 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.857 0.36 . . . . 13.17 110.985 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.481 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.7 pt -100.63 143.21 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.94 -0.573 . . . . 17.08 110.717 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.76 136.52 36.06 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.164 -0.471 . . . . 16.3 110.25 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tp -132.86 135.26 45.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.387 -0.369 . . . . 15.88 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.17 105.12 15.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.182 -0.463 . . . . 28.9 109.858 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -138.77 176.34 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.528 -0.306 . . . . 13.17 110.932 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 75.8 mm-40 -115.15 153.58 47.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.091 -0.707 . . . . 18.17 109.091 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.79 -25.87 54.08 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 122.609 2.206 . . . . 13.17 113.386 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -10.93 59.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 13.17 111.49 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.6 m-20 -68.55 136.48 53.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 18.03 110.575 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.411 ' O ' HG21 ' B' ' 26' ' ' VAL . 3.0 p -79.79 149.91 30.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.86 -0.609 . . . . 13.17 110.171 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -58.49 -35.22 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.229 0.537 . . . . 13.17 110.086 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.14 -37.68 88.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.755 . . . . 36.51 110.507 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -73.2 -35.81 66.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 25.66 109.719 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.411 HG21 ' O ' ' B' ' 22' ' ' THR . 79.8 t -61.08 -45.15 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 13.17 110.27 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.41 -36.0 79.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.47 110.951 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.22 90.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 13.17 110.324 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -71.48 -36.5 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.608 -0.723 . . . . 24.98 110.235 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.79 -41.35 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.06 -0.719 . . . . 13.17 109.06 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.51 -27.18 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 14.76 110.218 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.37 -39.66 89.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.987 -0.551 . . . . 26.29 111.84 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -101.35 -33.69 9.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.065 0.765 . . . . 30.06 113.065 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -98.02 -19.52 17.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.656 0.613 . . . . 25.19 112.656 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.71 19.33 79.94 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.524 -0.846 . . . . 13.17 113.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.27 118.04 68.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.752 -0.264 . . . . 13.17 110.719 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.17 125.17 17.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.621 2.214 . . . . 13.17 112.225 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.88 -25.12 26.39 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.52 2.814 . . . . 13.17 113.168 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.52 -37.05 67.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 35.55 111.361 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -110.09 45.61 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.444 0.64 . . . . 20.52 110.451 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -125.1 105.58 9.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 13.17 111.376 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.58 98.64 7.58 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.323 -0.621 . . . . 36.39 109.323 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 57.9 mt -80.24 118.83 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.818 -0.628 . . . . 13.17 111.364 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.66 128.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.433 -0.803 . . . . 13.9 110.322 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.477 ' CD2' HG12 ' B' ' 61' ' ' ILE . 73.6 t80 -145.92 132.44 19.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 13.17 110.312 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 25.78 12.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 13.17 111.538 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 13.65 80.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.836 -0.697 . . . . 13.93 112.811 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -125.17 150.31 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.872 0.368 . . . . 13.17 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.35 125.85 35.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.803 -0.635 . . . . 23.23 109.675 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' B' ' 45' ' ' PHE . 19.0 mt -79.15 114.8 18.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 13.17 111.413 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.402 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 33.5 tt0 -74.0 137.42 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.166 -0.47 . . . . 33.44 110.503 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -48.01 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 28.37 112.661 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.22 23.65 3.22 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.991 -0.623 . . . . 15.0 114.475 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.402 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 5.2 mmt180 -123.22 170.96 9.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.628 0.714 . . . . 25.5 109.999 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -106.71 172.92 6.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.729 0.299 . . . . 13.17 110.652 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.414 HD11 ' O ' ' B' ' 18' ' ' GLU . 55.2 mt -67.46 -28.25 67.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.265 0.555 . . . . 13.17 110.002 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -20.92 61.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 13.59 111.8 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.29 -19.25 63.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.121 0.486 . . . . 13.17 111.376 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -120.32 11.21 11.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.165 -0.47 . . . . 13.17 110.259 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 55.58 45.09 25.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.262 -0.881 . . . . 25.45 111.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.477 HG12 ' CD2' ' B' ' 45' ' ' PHE . 62.2 mt -79.45 109.31 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.12 0.486 . . . . 14.6 109.734 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -85.34 -174.14 5.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 33.23 111.001 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -81.45 154.64 26.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 25.97 109.626 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 66.85 8.19 5.84 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.438 0.461 . . . . 32.61 111.893 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.9 m -75.12 150.69 38.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.924 -0.399 . . . . 13.17 109.924 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -108.46 110.75 22.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 13.17 112.101 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.5 mt -86.95 145.3 26.59 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.524 -0.917 . . . . 13.17 108.524 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.409 ' NE2' ' HA3' ' A' ' 30' ' ' GLY . 27.9 m-70 -113.35 119.25 37.02 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.872 -0.331 . . . . 16.3 110.218 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 tp -90.21 115.49 27.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.988 0.423 . . . . 13.17 111.456 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.8 t -108.16 132.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.681 -0.69 . . . . 13.17 109.933 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.8 174.8 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 19.57 110.699 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -116.36 135.29 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.983 -0.377 . . . . 35.08 109.983 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.85 129.12 45.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.388 . . . . 32.31 111.044 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -134.61 140.2 45.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.561 . . . . 42.75 109.549 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.56 52.52 0.86 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.477 -0.868 . . . . 36.31 112.069 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.976 -0.902 . . . . 36.27 111.298 179.593 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.556 -0.164 . . . . 51.18 110.556 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -73.27 100.66 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 52.33 110.455 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.531 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 47.7 t -66.33 -51.49 43.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 45.08 112.045 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.531 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 40.8 Cg_exo -56.62 -41.33 77.04 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.842 1.695 . . . . 40.03 112.613 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -67.42 -47.4 70.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.581 0.229 . . . . 35.39 110.563 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -60.56 -46.93 88.39 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.31 -0.405 . . . . 39.28 110.115 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.06 -42.8 91.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 39.58 110.216 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.489 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 22.3 tpp85 -61.42 -46.46 90.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.524 . . . . 38.87 110.437 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.71 -36.53 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.992 -0.549 . . . . 24.59 110.596 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.8 mt -62.95 -36.73 84.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 25.03 109.945 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -72.92 -32.08 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.675 -0.693 . . . . 36.37 110.696 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 6.9 mm-40 -60.75 -38.03 83.83 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.736 -0.468 . . . . 25.08 109.736 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.87 -36.55 64.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.749 -0.66 . . . . 28.37 109.945 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -52.94 62.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.838 -0.619 . . . . 45.48 110.062 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -61.99 -35.99 80.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 35.52 110.686 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.64 -48.55 55.67 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.742 -0.663 . . . . 31.25 113.087 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.42 ' O ' ' HZ ' ' B' ' 45' ' ' PHE . 2.3 tt0 -71.51 -22.43 61.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.766 0.283 . . . . 42.74 111.247 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.72 -13.26 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.671 -0.492 . . . . 47.38 109.671 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.427 ' O ' ' HB ' ' B' ' 66' ' ' THR . . . 69.37 32.64 72.02 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.738 -0.665 . . . . 34.95 112.144 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.52 130.1 46.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.927 0.394 . . . . 28.2 110.515 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.63 -150.12 19.85 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.224 -0.751 . . . . 24.59 111.224 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.55 -72.23 0.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 24.59 110.637 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.54 -39.47 1.03 Allowed Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.804 -0.712 . . . . 24.59 111.429 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.6 p -81.71 -49.25 10.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.23 0.538 . . . . 24.59 110.256 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -80.92 142.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 24.59 110.37 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -138.24 153.83 49.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.302 -0.408 . . . . 24.59 110.311 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -147.22 164.28 33.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.136 -0.32 . . . . 24.59 110.136 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.6 -178.47 35.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.411 -0.676 . . . . 24.59 111.411 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.03 129.75 35.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.765 0.317 . . . . 25.73 110.62 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.57 -38.21 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.563 -0.532 . . . . 44.86 109.563 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.51 -49.41 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.492 -0.776 . . . . 55.38 110.66 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 67.29 -72.49 0.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.393 0.677 . . . . 59.05 111.719 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.95 -41.02 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.574 -0.285 . . . . 62.12 111.441 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 15.4 t0 -72.81 123.08 22.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.876 0.369 . . . . 57.57 110.417 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.0 mtt -87.08 3.87 44.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.642 0.608 . . . . 49.86 112.642 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.439 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 15.5 p -71.25 -24.17 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.299 -0.561 . . . . 34.17 110.046 179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.22 58.33 3.11 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.206 -0.906 . . . . 26.52 110.643 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.551 -0.75 . . . . 24.59 111.106 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -103.62 128.18 50.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 40.81 111.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -125.87 136.1 52.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 24.59 109.812 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -89.7 129.45 36.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.738 0.304 . . . . 26.25 110.577 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.25 154.66 16.81 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.789 -0.924 . . . . 24.59 110.789 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.2 ttp -147.2 129.78 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.172 0.486 . . . . 24.59 110.693 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.1 mt -127.29 123.74 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.957 -0.565 . . . . 24.59 110.571 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 pt -86.33 126.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.473 -0.566 . . . . 24.59 109.473 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.625 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -61.54 127.0 40.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 24.59 112.408 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.426 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.7 Cg_exo -59.98 144.4 99.47 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.793 2.329 . . . . 24.59 112.288 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 20.5 Cg_exo -64.99 156.93 59.8 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.532 2.155 . . . . 24.59 112.391 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 65.89 21.14 11.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.364 -0.834 . . . . 32.61 112.451 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -125.13 179.89 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.1 -0.704 . . . . 24.59 109.1 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.07 -11.97 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 24.59 110.337 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.625 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 33.6 m-85 -103.17 8.78 38.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 24.59 110.142 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.11 129.41 30.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.916 0.71 . . . . 37.17 112.916 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t30 59.32 31.71 21.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.022 -0.99 . . . . 30.81 112.279 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -115.7 120.4 39.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.926 0.393 . . . . 25.62 110.95 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.1 mt -89.68 106.26 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.841 -0.618 . . . . 24.59 109.517 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.566 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 45.4 m-85 -99.71 126.57 45.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 24.59 111.378 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.64 142.01 28.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 24.59 110.351 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.67 159.64 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.067 0.46 . . . . 24.59 111.091 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.59 117.65 24.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.637 -0.711 . . . . 33.44 109.171 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -114.26 125.67 71.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 24.59 110.496 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -114.19 110.06 19.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.932 0.396 . . . . 42.22 110.823 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.0 109.98 16.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.722 -0.672 . . . . 25.59 110.14 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.09 173.76 38.43 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 26.42 112.94 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.67 -13.58 37.59 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 123.182 2.588 . . . . 31.44 112.428 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.37 -4.76 53.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 44.64 111.487 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 34.5 t80 -58.18 137.66 84.48 Favored Pre-proline 0 N--CA 1.466 0.347 0 N-CA-C 110.198 -0.297 . . . . 29.6 110.198 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 96.1 Cg_endo -98.52 22.56 23.28 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 124.634 -0.986 . . . . 27.94 113.425 -0.243 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.66 -37.56 70.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.837 0.351 . . . . 36.76 110.842 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.73 146.36 34.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 30.58 110.822 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.75 130.8 30.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.876 2.384 . . . . 28.58 112.242 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.91 160.22 43.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 24.59 112.201 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.74 124.24 27.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.791 -0.448 . . . . 29.16 109.791 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.59 133.79 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 24.59 111.164 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -150.44 150.08 30.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.116 -0.493 . . . . 41.41 109.953 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -90.92 151.09 21.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 24.59 110.593 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.3 t -98.77 -49.88 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 24.59 109.468 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.71 142.34 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.829 -0.623 . . . . 24.59 109.596 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 87.2 mttt -66.0 115.65 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.162 0.506 . . . . 35.04 110.834 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.566 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.9 tt -133.62 138.83 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.497 -0.774 . . . . 24.59 110.466 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.12 98.63 9.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.026 -0.731 . . . . 24.59 109.026 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.9 ttt -139.49 135.03 33.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.595 -0.729 . . . . 24.59 109.86 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -57.78 110.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 27.45 111.474 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.58 -7.69 13.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.008 -0.615 . . . . 24.59 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -110.13 134.99 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.648 0.261 . . . . 24.59 110.472 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -73.26 144.58 46.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 26.32 110.621 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -87.21 -13.52 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.662 0.616 . . . . 24.59 112.662 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 m -101.08 -57.42 2.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.774 0.321 . . . . 31.16 111.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -84.41 -28.22 27.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.805 0.336 . . . . 30.09 111.149 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.95 7.66 88.34 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 25.64 111.584 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.9 mtp -71.26 146.17 49.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.703 0.287 . . . . 38.85 110.855 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.2 t -95.18 126.2 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.002 -0.544 . . . . 25.28 110.349 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.564 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 41.3 t0 -74.69 117.96 17.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 34.12 110.16 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.643 -0.708 . . . . 29.16 112.751 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.564 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 24.5 ptt-85 -76.51 -7.4 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.584 -0.446 . . . . 52.63 111.539 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 m -104.33 0.65 29.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.93 0.395 . . . . 34.05 110.402 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 34.7 mm -120.81 117.91 30.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 26.63 109.845 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 -46.12 28.25 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.423 2.749 . . . . 26.05 114.562 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.89 -18.53 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.584 0.587 . . . . 25.84 112.584 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.7 mt -95.28 -38.75 10.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.68 0.276 . . . . 24.59 110.493 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.94 79.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.46 0.647 . . . . 28.65 110.06 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -115.76 49.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.515 -0.766 . . . . 39.1 109.383 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -61.19 144.81 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.186 -0.915 . . . . 29.08 111.195 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.01 152.11 48.97 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.784 -0.821 . . . . 45.36 108.784 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -63.21 -18.5 63.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.653 0.263 . . . . 37.64 111.659 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.14 0.35 45.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.925 0.393 . . . . 26.71 111.563 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -90.11 161.93 15.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.406 -0.361 . . . . 24.59 110.279 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -150.82 179.34 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 24.59 110.002 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.98 -44.34 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.046 0.451 . . . . 24.59 110.71 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -56.35 -41.13 75.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.443 -0.798 . . . . 24.78 111.104 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.02 -42.52 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 24.59 110.844 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.94 -48.91 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 24.59 110.827 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.4 -41.28 93.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 24.59 111.156 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.08 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.349 . . . . 24.59 110.791 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.51 -46.43 69.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 30.3 110.634 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.83 -41.19 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 24.59 110.533 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -66.59 -37.21 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 24.59 110.159 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -63.91 -37.38 87.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.216 0.532 . . . . 27.05 109.762 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.75 -24.47 61.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 24.59 110.862 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.0 -27.42 65.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.289 0.566 . . . . 24.59 110.241 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 53.8 mtm -93.27 9.13 37.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 24.59 110.587 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t -80.78 151.27 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 25.92 109.75 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.467 ' HA ' ' SD ' ' A' ' 137' ' ' MET . 52.3 tptt -52.24 -39.38 60.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.052 0.76 . . . . 29.78 113.052 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -79.49 -1.61 38.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.376 0.88 . . . . 28.22 113.376 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -128.09 -36.17 1.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.487 0.551 . . . . 24.59 112.487 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 134' ' ' LYS . 15.6 ptm -52.32 -23.17 5.4 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.907 1.077 . . . . 24.59 113.907 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -122.63 24.33 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.757 -0.377 . . . . 35.29 111.884 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 10.2 mt -79.12 130.88 68.02 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.166 -0.309 . . . . 24.59 110.166 178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.06 117.66 4.39 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.724 2.283 . . . . 24.59 111.553 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -92.61 136.46 25.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 24.59 111.286 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.27 169.74 19.99 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.599 2.199 . . . . 26.0 111.111 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -47.54 130.37 18.03 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.776 2.317 . . . . 30.09 112.285 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.67 136.01 54.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.263 -0.881 . . . . 46.96 111.316 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 106.65 -26.8 18.61 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.722 -0.751 . . . . 36.35 112.904 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.57 136.34 56.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 36.19 110.699 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 p -121.33 159.64 25.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.384 -0.371 . . . . 36.38 110.578 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 69.2 m-85 -72.28 -19.53 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 44.37 110.365 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -124.08 140.08 53.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.55 -0.75 . . . . 53.87 109.291 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 m120 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.323 -0.846 . . . . 55.71 111.349 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.158 -0.312 . . . . 17.17 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -88.89 118.65 28.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.163 -0.472 . . . . 21.89 110.894 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.3 pt -118.25 165.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.023 -0.732 . . . . 13.17 109.023 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.463 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.5 m-85 -124.77 131.43 53.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.746 0.307 . . . . 13.17 110.711 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.45 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 22.1 t -109.64 119.87 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.869 -0.789 . . . . 13.17 108.869 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.42 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 86.2 tttt -113.8 124.03 51.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.05 0.452 . . . . 20.55 111.09 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' B' ' 11' ' ' LYS . 0.0 OUTLIER -83.49 169.01 15.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.649 -0.705 . . . . 13.17 110.262 179.101 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 18.6 mt -64.15 -21.02 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.91 0.386 . . . . 19.31 111.074 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -17.15 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 23.14 110.774 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -8.46 47.47 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.883 -0.599 . . . . 19.74 111.718 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.432 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 59.4 tttm -63.14 129.33 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 21.93 110.212 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -117.15 116.52 27.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.325 -0.398 . . . . 13.17 111.067 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.45 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.3 pt -110.77 153.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.983 0.42 . . . . 17.08 110.829 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 138.29 36.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.879 -0.6 . . . . 16.3 110.074 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 tp -138.55 137.74 37.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.862 0.363 . . . . 15.88 110.831 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -110.15 107.98 17.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 28.9 110.469 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' B' ' 1' ' ' MET . 1.6 m -140.24 165.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.685 -0.689 . . . . 13.17 109.896 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.6 mm-40 -103.86 157.08 34.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 18.17 109.398 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.19 -25.63 72.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.281 1.988 . . . . 13.17 111.977 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.42 -2.35 45.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.577 -0.738 . . . . 13.17 111.479 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 5.1 m-20 -83.74 139.7 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.469 . . . . 18.03 109.735 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 35.8 p -87.1 158.77 19.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 13.17 110.863 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.7 mm -55.84 -37.04 45.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.189 0.519 . . . . 13.17 110.452 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.5 -45.02 89.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.495 -0.775 . . . . 36.51 110.797 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -70.27 -34.08 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.011 -0.54 . . . . 25.66 110.574 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.3 t -61.39 -43.99 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 13.17 109.95 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.461 ' HZ1' ' CG ' ' B' ' 52' ' ' ASP . 90.8 mttt -61.4 -33.72 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.74 . . . . 15.47 111.038 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.8 97.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 13.17 110.85 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.8 -35.49 77.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 24.98 110.278 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.01 -41.15 84.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 13.17 109.943 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.87 -27.39 68.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 14.76 111.147 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.48 -42.73 74.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.178 -0.465 . . . . 26.29 112.025 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -95.49 -38.51 10.42 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.147 0.795 . . . . 30.06 113.147 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.73 -28.22 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.093 0.405 . . . . 25.19 112.093 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.38 7.02 88.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.387 -0.911 . . . . 13.17 112.566 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.49 120.41 75.42 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 122.975 -0.132 . . . . 13.17 110.742 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -58.38 133.37 54.42 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.871 2.38 . . . . 13.17 112.088 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -52.71 -27.41 33.62 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.473 2.782 . . . . 13.17 113.608 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.91 -35.59 81.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 35.55 110.844 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -89.34 5.11 46.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 20.52 110.612 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -100.06 141.36 32.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 13.17 110.731 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.481 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.0 ttp180 -155.57 112.86 3.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.582 -0.896 . . . . 36.39 108.582 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.76 133.37 36.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.343 0.592 . . . . 13.17 112.011 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 30.3 mm -118.78 129.32 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.18 -0.918 . . . . 13.9 109.263 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.42 ' HZ ' ' O ' ' A' ' 28' ' ' GLN . 10.6 t80 -153.68 147.76 25.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.571 0.224 . . . . 13.17 110.886 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 14.87 5.68 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.767 -0.651 . . . . 13.17 112.202 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.56 18.72 59.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.906 -0.664 . . . . 13.93 112.361 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.73 160.96 38.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.78 0.324 . . . . 13.17 110.555 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -84.77 133.3 34.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 23.23 110.174 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.427 HD22 ' CG ' ' B' ' 59' ' ' TYR . 11.7 mt -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.438 -0.346 . . . . 13.17 110.474 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 0.5 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.3 tt0 -69.35 137.71 53.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.748 -0.464 . . . . 33.44 109.748 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.461 ' CG ' ' HZ1' ' B' ' 27' ' ' LYS . 1.3 m-20 -58.37 -31.0 67.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.185 0.809 . . . . 28.37 113.185 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.21 24.7 20.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.355 -0.926 . . . . 15.0 113.334 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.5 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 7.8 mmt180 -115.94 162.56 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.864 0.364 . . . . 25.5 110.569 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.1 OUTLIER -93.58 163.35 13.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 13.17 110.086 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.03 -36.51 83.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.096 0.474 . . . . 13.17 110.63 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -19.06 63.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.05 -0.523 . . . . 13.59 111.656 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.7 m-20 -65.33 -18.67 65.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.834 0.35 . . . . 13.17 111.386 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.427 ' CG ' HD22 ' B' ' 50' ' ' LEU . 91.5 m-85 -122.18 16.23 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.384 -0.371 . . . . 13.17 110.775 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 60.25 32.31 20.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.744 -0.662 . . . . 25.45 111.561 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.3 124.55 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 14.6 109.941 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -124.22 -170.2 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.253 -0.431 . . . . 33.23 110.843 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . 0.412 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 ptmt -68.03 152.91 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 25.97 111.367 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.78 3.5 3.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.531 -0.759 . . . . 32.61 112.295 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 27.3 m -79.19 126.98 31.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 13.17 110.087 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -92.23 105.7 17.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.868 -0.605 . . . . 13.17 111.139 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -80.65 141.63 34.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 13.17 109.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 54.0 m170 -92.67 114.82 27.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.548 -0.296 . . . . 16.3 110.41 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 34.9 tp -93.54 98.23 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.268 0.556 . . . . 13.17 110.198 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 43.7 t -92.17 108.56 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 13.17 110.222 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 64.2 mt -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 19.57 111.635 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -106.15 96.5 6.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.631 -0.713 . . . . 35.08 110.155 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -84.14 126.14 32.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.794 -0.639 . . . . 32.31 110.811 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -109.42 122.77 48.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.321 -0.4 . . . . 42.75 110.2 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.71 139.33 5.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.707 -0.759 . . . . 36.31 111.777 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.105 0 CA-C-O 119.017 -0.879 . . . . 36.27 111.087 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.292 -0.262 . . . . 51.18 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -69.58 97.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 52.33 110.473 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.521 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 29.5 t -55.85 -51.87 76.95 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.652 0.612 . . . . 45.08 112.652 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.521 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 45.1 Cg_exo -57.71 -42.96 54.36 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.897 1.731 . . . . 40.03 112.292 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -68.51 -45.89 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 35.39 110.682 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.06 -46.03 92.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 39.28 110.373 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.33 -40.77 97.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 39.58 110.159 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 38.87 109.936 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.93 -37.13 85.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 24.59 110.228 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.87 -36.23 77.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 25.03 110.218 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.11 -51.05 61.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.016 -0.538 . . . . 36.37 110.231 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 12.3 mt-10 -64.66 -28.62 69.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.067 -0.515 . . . . 25.08 110.599 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 tp -63.2 -45.43 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.501 -0.555 . . . . 28.37 109.501 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.92 -35.66 80.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.527 -0.76 . . . . 45.48 109.781 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.34 -25.3 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.671 . . . . 35.52 110.68 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.18 -17.93 77.66 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.56 -0.616 . . . . 31.25 111.56 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.76 1.99 56.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.321 0.581 . . . . 42.74 110.157 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.53 -30.09 2.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 47.38 111.055 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' NE2' ' B' ' 68' ' ' HIS . . . 76.36 49.37 8.33 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.699 . . . . 34.95 111.365 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.61 102.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.682 0.277 . . . . 28.2 110.607 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.49 -135.09 3.01 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.976 -0.63 . . . . 24.59 111.852 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -29.17 65.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.711 0.291 . . . . 24.59 111.014 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.17 -20.28 11.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.378 -0.915 . . . . 24.59 113.925 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 54.0 p -103.67 -33.46 8.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.18 0.49 . . . . 24.59 111.703 -179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.63 146.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.031 0.443 . . . . 24.59 111.855 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -146.22 140.68 26.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 24.59 109.882 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -135.15 169.81 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.543 -0.299 . . . . 24.59 110.817 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.62 -173.85 42.58 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.948 -0.861 . . . . 24.59 110.948 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.25 148.66 35.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.423 0.612 . . . . 25.73 110.733 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.476 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 0.9 OUTLIER -92.45 -66.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.192 -0.458 . . . . 44.86 110.621 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 3.9 t70 -73.06 -33.24 65.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 55.38 111.26 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.456 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 17.3 t70 74.57 -51.95 0.68 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.795 0.684 . . . . 59.05 111.513 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.15 -35.14 49.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.251 . . . . 62.12 111.521 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.88 110.64 2.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.049 0.452 . . . . 57.57 110.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 mmt -77.63 2.35 16.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 49.86 112.535 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 p -69.97 -25.78 63.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.64 0.257 . . . . 34.17 110.914 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 mt 58.23 29.36 17.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.692 -0.685 . . . . 26.52 110.671 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -89.24 -33.41 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.927 -0.578 . . . . 24.59 111.801 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -107.09 121.61 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 40.81 111.666 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -120.18 153.87 35.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 24.59 110.428 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' A' ' 41' ' ' GLU . 23.6 m -100.83 130.44 46.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.062 -0.517 . . . . 26.25 110.523 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.55 124.38 6.1 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.124 -0.79 . . . . 24.59 111.124 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttp -112.89 128.17 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.194 0.497 . . . . 24.59 110.473 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.9 mt -125.63 124.56 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.104 -0.498 . . . . 24.59 110.599 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 pt -90.92 123.45 43.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.332 -0.618 . . . . 24.59 109.332 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.647 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.18 133.74 45.35 Favored Glycine 0 N--CA 1.449 -0.453 0 O-C-N 123.45 0.469 . . . . 24.59 112.984 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 42.6 Cg_endo -67.86 151.45 78.33 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.761 2.307 . . . . 24.59 112.268 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 21.4 Cg_exo -65.49 158.47 52.75 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.641 2.227 . . . . 24.59 113.134 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 60.55 27.8 17.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.258 -0.883 . . . . 32.61 112.514 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 27.1 p -130.61 -179.17 5.13 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 110.118 -0.327 . . . . 24.59 110.118 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -81.32 -3.23 51.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 24.59 109.883 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.647 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 25.3 m-85 -108.39 -0.75 20.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 24.59 109.643 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.06 129.87 35.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.482 -0.781 . . . . 37.17 112.029 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 67.1 15.1 10.02 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.203 -0.908 . . . . 30.81 112.184 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.76 129.51 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 25.62 110.58 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.8 mt -102.0 113.58 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.963 -0.562 . . . . 24.59 109.552 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.71 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.6 m-85 -105.36 142.18 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 24.59 111.831 -178.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.35 130.85 54.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.516 -0.765 . . . . 24.59 110.412 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.491 HD22 ' CZ ' ' A' ' 87' ' ' PHE . 6.0 mp -125.34 161.46 26.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 24.59 110.899 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.27 123.02 39.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 33.44 109.493 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.3 122.14 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.153 -0.476 . . . . 24.59 110.42 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.57 107.03 17.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.441 . . . . 42.22 111.117 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.0 m -83.47 103.22 12.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.748 -0.66 . . . . 25.59 109.577 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.54 174.61 17.96 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.9 -0.591 . . . . 26.42 113.087 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.42 -21.79 71.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.852 2.368 . . . . 31.44 112.291 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -91.53 2.81 56.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.568 -0.287 . . . . 44.64 111.551 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -58.74 136.44 86.72 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.891 -0.411 . . . . 29.6 109.891 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -99.3 21.27 23.02 Favored 'Cis proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.592 0.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.11 -33.3 71.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.147 0.499 . . . . 36.76 110.306 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.19 27.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 30.58 110.448 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.56 123.65 12.4 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.681 2.254 . . . . 28.58 112.385 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.33 152.2 71.51 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.899 2.399 . . . . 24.59 112.234 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 128.27 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 29.16 110.13 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.1 t -125.67 134.31 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 24.59 111.14 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -145.81 146.66 31.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 41.41 110.772 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.491 ' CZ ' HD22 ' A' ' 70' ' ' LEU . 26.1 m-85 -88.92 138.97 30.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 24.59 110.111 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.9 t -93.64 -44.16 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.533 . . . . 24.59 109.654 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.521 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -81.46 148.24 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.492 -0.776 . . . . 24.59 110.249 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 84.4 mttt -66.46 121.71 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 35.04 111.517 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.71 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.2 tt -145.45 130.6 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 24.59 110.978 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.87 92.7 6.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.34 -0.615 . . . . 24.59 109.34 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.3 ttt -130.03 142.3 50.64 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.264 -0.88 . . . . 24.59 109.591 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.92 115.01 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 27.45 111.013 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.59 -10.68 30.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.982 -0.628 . . . . 24.59 111.985 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.51 126.51 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.286 -0.264 . . . . 24.59 110.286 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.35 133.52 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 26.32 110.31 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -82.75 -1.55 51.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.046 0.758 . . . . 24.59 113.046 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 m -113.13 -55.28 2.54 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.764 -0.374 . . . . 31.16 111.576 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 p -92.16 -25.27 18.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.414 -0.357 . . . . 30.09 111.38 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.83 8.81 75.62 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.554 -0.831 . . . . 25.64 111.788 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.6 mtp -68.9 133.78 48.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.825 0.345 . . . . 38.85 110.869 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.6 t -89.09 134.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.125 -0.488 . . . . 25.28 110.377 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.414 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 5.2 t0 -79.24 127.35 31.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 34.12 110.085 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.111 0.782 . . . . 29.16 113.111 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.414 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 32.8 ptt-85 -77.05 -9.62 58.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.383 -0.527 . . . . 52.63 111.663 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 m -85.7 -24.88 26.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 34.05 109.95 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.28 122.46 48.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 26.63 110.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 -48.55 20.91 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.971 2.447 . . . . 26.05 113.615 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 23.1 m -69.0 -18.44 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.381 0.511 . . . . 25.84 112.381 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.39 -42.81 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.922 -0.399 . . . . 24.59 109.922 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.28 -42.81 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.454 -0.573 . . . . 28.65 109.454 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 62.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.94 -1.133 . . . . 39.1 107.94 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -74.71 133.69 42.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.132 -0.94 . . . . 29.08 111.814 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -118.54 149.0 42.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.916 -1.038 . . . . 45.36 108.204 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.82 -2.1 11.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 37.64 111.619 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.18 6.5 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 26.71 110.306 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -104.2 171.69 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 24.59 110.08 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 p -158.1 -173.24 4.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.463 -0.335 . . . . 24.59 110.459 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 30.5 mt -55.75 -41.33 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.319 0.581 . . . . 24.59 110.239 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 27.4 ttpt -57.33 -48.04 80.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.076 -0.965 . . . . 24.78 111.089 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.27 -41.99 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 24.59 110.976 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.18 -47.75 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 24.59 110.808 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.9 mt -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 24.59 111.196 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.482 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 22.8 mt-30 -65.6 -38.23 88.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.365 . . . . 24.59 110.714 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.412 ' HA ' ' OE1' ' A' ' 126' ' ' GLU . 5.2 tp10 -66.25 -46.4 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 30.3 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 131' ' ' MET . 66.5 mt -56.98 -43.2 81.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 24.59 110.843 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 128' ' ' ARG . 26.8 ttt180 -67.99 -34.8 77.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 24.59 110.936 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.34 -41.64 96.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.079 0.466 . . . . 27.05 109.926 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.2 -15.47 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 24.59 110.965 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 61.2 mtt -79.76 -22.91 42.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.058 0.456 . . . . 24.59 109.94 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 77.7 mtm -86.94 -6.48 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 24.59 110.086 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.1 m -72.21 142.43 49.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.617 -0.719 . . . . 25.92 110.283 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.08 -30.76 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.531 0.567 . . . . 29.78 112.531 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -75.18 -5.02 42.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.439 0.533 . . . . 28.22 112.439 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -130.13 -42.48 1.22 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.022 0.378 . . . . 24.59 112.022 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.9 ptm -54.66 -26.68 34.76 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.203 0.816 . . . . 24.59 113.203 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -112.1 28.91 8.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.136 0.421 . . . . 35.29 112.136 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 30.8 mt -91.99 133.82 29.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.02 -0.272 . . . . 24.59 110.324 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.51 124.73 16.96 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.701 2.267 . . . . 24.59 111.209 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -102.26 146.11 31.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.267 0.469 . . . . 24.59 112.267 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.55 170.7 19.42 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.188 2.592 . . . . 26.0 111.558 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.31 116.98 2.55 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.691 2.26 . . . . 30.09 112.763 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.39 135.34 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 46.96 110.832 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 107.35 -22.06 29.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.663 -0.78 . . . . 36.35 111.957 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -76.74 144.23 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.383 . . . . 36.19 110.605 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 161.67 19.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.006 -0.543 . . . . 36.38 110.105 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . 0.414 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 48.5 m-85 -76.17 -23.07 54.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 44.37 110.028 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.29 134.51 34.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 53.87 109.538 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.249 -0.881 . . . . 55.71 110.536 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.742 0.306 . . . . 17.17 110.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.34 124.57 41.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.094 -0.503 . . . . 21.89 110.421 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -123.69 170.12 14.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.85 -0.426 . . . . 13.17 109.85 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.7 m-85 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.931 0.396 . . . . 13.17 110.945 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.42 109.5 28.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.13 -0.693 . . . . 13.17 109.13 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -105.53 126.41 52.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.082 0.468 . . . . 20.55 111.006 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -87.15 173.59 9.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.805 -0.634 . . . . 13.17 109.744 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 38.0 mt -75.83 -5.5 46.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.253 0.549 . . . . 19.31 110.244 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -17.65 24.54 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.244 -0.889 . . . . 23.14 110.545 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.25 -23.82 15.37 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.822 -0.704 . . . . 19.74 112.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.95 110.92 1.01 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.942 0.401 . . . . 21.93 110.762 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -109.56 111.31 22.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.951 -0.568 . . . . 13.17 110.045 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 pt -104.02 156.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.994 -0.548 . . . . 17.08 110.878 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 145.96 24.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.074 -0.512 . . . . 16.3 109.793 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -140.65 141.71 35.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.758 0.313 . . . . 15.88 110.295 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -111.63 108.37 17.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.051 -0.522 . . . . 28.9 110.771 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -145.66 166.2 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.652 -0.704 . . . . 13.17 109.648 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -104.18 154.64 38.08 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.254 -0.647 . . . . 18.17 109.254 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -56.22 -28.38 70.87 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.48 2.12 . . . . 13.17 112.589 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -6.93 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 13.17 111.99 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -75.21 142.74 43.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.027 0.442 . . . . 18.03 111.239 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.26 153.3 31.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 13.17 111.4 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.26 -37.15 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 13.17 110.308 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.05 -39.49 90.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 36.51 110.036 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -68.31 -38.33 81.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.978 -0.556 . . . . 25.66 109.935 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.407 ' O ' HG13 ' B' ' 30' ' ' ILE . 71.9 t -59.48 -44.92 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 13.17 109.66 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.45 ' HZ2' ' CG ' ' B' ' 52' ' ' ASP . 98.6 mttt -61.54 -40.1 93.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.736 -0.665 . . . . 15.47 110.601 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.41 89.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.775 -0.648 . . . . 13.17 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -68.57 -31.8 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 24.98 110.425 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.407 HG13 ' O ' ' B' ' 26' ' ' VAL . 84.5 mt -71.12 -40.93 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 13.17 109.808 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.2 -29.07 70.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 14.76 110.806 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.16 -30.86 66.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 26.29 112.228 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -103.35 -41.96 5.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 30.06 112.575 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -87.86 -36.36 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.857 0.317 . . . . 25.19 111.857 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.42 35.49 10.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.366 -0.921 . . . . 13.17 112.142 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.54 121.32 42.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.014 -0.365 . . . . 13.17 110.014 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -55.27 132.22 50.93 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.808 2.339 . . . . 13.17 112.43 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.72 -28.48 57.16 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.128 2.552 . . . . 13.17 112.151 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.72 -35.76 75.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.587 . . . . 35.55 111.43 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -94.69 0.26 54.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 20.52 110.795 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -89.87 130.45 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.971 -0.558 . . . . 13.17 110.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.578 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 29.6 ttp180 -144.23 112.53 6.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.877 -0.786 . . . . 36.39 108.877 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.89 133.54 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 13.17 111.985 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -114.95 134.53 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.332 -0.849 . . . . 13.9 109.692 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.402 ' HB3' HD21 ' B' ' 50' ' ' LEU . 57.1 t80 -155.95 142.18 18.35 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.697 -0.229 . . . . 13.17 110.632 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.93 29.33 16.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.935 0.494 . . . . 13.17 112.107 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.7 37.22 67.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.842 -0.694 . . . . 13.93 112.393 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -157.77 165.88 34.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 13.17 110.236 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.85 135.33 34.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.23 -0.441 . . . . 23.23 110.512 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.402 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -80.64 129.35 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.375 -0.375 . . . . 13.17 110.76 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.25 133.97 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 33.44 110.144 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.45 ' CG ' ' HZ2' ' B' ' 27' ' ' LYS . 3.9 m-20 -56.33 -36.28 68.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 28.37 112.363 -178.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.2 -7.94 88.06 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.775 -0.726 . . . . 15.0 113.52 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.81 172.02 8.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.219 0.51 . . . . 25.5 111.14 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.403 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 27.7 p -111.75 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 13.17 110.489 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 99.1 mt -65.77 -38.85 90.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 13.17 110.821 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.3 m -67.7 -16.21 64.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 13.59 111.561 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' B' ' 55' ' ' THR . 16.3 m-20 -73.14 -16.87 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 13.17 111.114 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.31 17.35 9.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.521 -0.309 . . . . 13.17 110.912 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.16 35.99 21.07 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.903 -0.59 . . . . 25.45 110.861 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 64.4 mt -83.07 115.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.439 . . . . 14.6 110.364 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -99.12 -163.4 1.03 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.058 -0.519 . . . . 33.23 109.923 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.5 159.74 25.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.164 -0.31 . . . . 25.97 110.164 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.98 18.6 10.04 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.543 0.527 . . . . 32.61 111.703 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -77.51 147.65 35.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 13.17 109.329 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.7 m -112.75 99.88 8.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.239 0.543 . . . . 13.17 111.17 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 24.4 mt -78.4 141.61 38.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.47 -0.786 . . . . 13.17 109.295 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.441 ' NE2' ' HA3' ' A' ' 30' ' ' GLY . 14.1 m-70 -103.68 118.65 37.22 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.984 -0.287 . . . . 16.3 110.284 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 tp -91.73 106.45 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.051 -0.522 . . . . 13.17 110.871 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 57.4 t -98.16 98.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.613 -0.721 . . . . 13.17 109.467 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.99 138.17 19.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.739 -0.664 . . . . 19.57 111.749 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -90.33 103.49 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 35.08 109.932 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.6 mp -61.52 124.52 20.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.939 -0.573 . . . . 32.31 110.484 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -119.13 -5.39 10.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 42.75 110.804 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.13 140.38 10.31 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.887 -0.673 . . . . 36.31 111.848 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.609 -1.106 . . . . 36.27 112.0 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.313 -0.254 . . . . 51.18 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -72.77 86.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 52.33 109.926 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 48.1 t -58.39 -50.41 88.19 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.682 0.623 . . . . 45.08 112.682 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.479 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 51.3 Cg_exo -53.31 -49.01 18.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.902 1.735 . . . . 40.03 112.577 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -62.45 -49.78 74.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 35.39 110.809 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.78 -51.42 69.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 39.28 111.511 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.63 -40.75 97.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 39.58 111.297 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -59.4 -47.48 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.055 0.455 . . . . 38.87 110.194 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.15 -31.05 71.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.64 -0.709 . . . . 24.59 110.794 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.46 -37.41 86.79 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.109 -0.7 . . . . 25.03 109.109 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.487 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 52.5 mt-10 -69.54 -45.13 69.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.618 -0.719 . . . . 36.37 109.508 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' CD ' ' HB2' ' A' ' 119' ' ' SER . 3.2 mt-10 -58.84 -33.76 70.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 25.08 110.57 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.47 -43.97 93.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.595 . . . . 28.37 109.901 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.65 -34.34 60.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 45.48 110.221 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 41.7 mm-40 -57.26 -39.66 76.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 35.52 110.71 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.14 -17.78 76.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.2 -0.524 . . . . 31.25 112.643 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -94.1 -4.22 49.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.057 0.456 . . . . 42.74 110.295 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -116.43 -56.77 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.793 -0.639 . . . . 47.38 110.453 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.44 45.35 3.01 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.933 -0.651 . . . . 34.95 112.018 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.8 112.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.047 0.451 . . . . 28.2 110.354 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.14 -118.48 1.55 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.076 -0.81 . . . . 24.59 111.076 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.57 -43.85 88.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 24.59 110.141 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.51 -25.02 18.75 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.847 -0.692 . . . . 24.59 112.759 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.2 p -83.84 -42.19 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.808 0.337 . . . . 24.59 111.357 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.88 126.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 24.59 112.173 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -137.7 132.26 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 24.59 109.264 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -152.38 170.81 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 24.59 110.719 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -176.54 40.61 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.819 -0.628 . . . . 24.59 111.616 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.4 mt -70.73 135.59 48.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.548 0.174 . . . . 25.73 110.714 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -77.02 -48.12 18.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.125 0.488 . . . . 44.86 110.0 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.67 -37.39 59.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.656 -0.702 . . . . 55.38 110.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 73.77 -50.18 0.69 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.294 -0.866 . . . . 59.05 111.156 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.88 -47.23 19.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 62.12 110.955 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' CG ' ' HG1' ' A' ' 47' ' ' THR . 52.2 t0 -63.16 114.65 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 57.57 110.367 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.0 mtt -85.97 10.82 12.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.622 0.601 . . . . 49.86 112.622 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.411 ' HG1' ' CG ' ' A' ' 45' ' ' ASP . 74.8 p -70.68 -23.03 62.41 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.588 -0.445 . . . . 34.17 110.128 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.5 mt 59.12 35.75 23.84 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.228 -0.896 . . . . 26.52 110.515 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.434 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.4 m -91.22 -35.65 14.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 24.59 111.946 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.2 mtm-85 -109.18 121.55 45.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 40.81 110.751 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -121.82 155.13 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 24.59 111.856 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.7 m -116.66 108.57 16.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.362 -0.835 . . . . 26.25 109.391 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.41 131.1 10.49 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.703 -0.761 . . . . 24.59 111.391 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttp -118.19 123.04 44.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.197 0.499 . . . . 24.59 110.541 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.7 mt -112.87 118.15 57.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.064 -0.517 . . . . 24.59 110.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.08 123.54 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.103 -0.498 . . . . 24.59 109.694 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.571 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -64.51 130.97 37.78 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.991 -0.623 . . . . 24.59 112.388 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.408 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 53.4 Cg_endo -69.26 141.02 46.08 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.756 2.304 . . . . 24.59 112.151 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 25.8 Cg_exo -62.54 161.73 26.92 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.501 2.134 . . . . 24.59 112.256 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 69.17 22.51 6.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.62 -0.718 . . . . 32.61 111.972 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -137.05 179.59 6.29 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.89 -0.411 . . . . 24.59 109.89 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -74.44 -4.77 38.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 24.59 110.607 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.571 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 34.3 m-85 -113.69 9.92 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 24.59 110.663 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -51.84 121.79 7.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.883 0.697 . . . . 37.17 112.883 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 t30 72.53 -10.8 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.84 0.856 . . . . 30.81 113.048 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -66.43 143.71 56.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 25.62 112.014 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.7 mt -111.87 111.61 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 24.59 109.488 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 58.2 m-85 -105.05 123.41 47.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.069 0.461 . . . . 24.59 111.354 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.79 132.72 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 24.59 109.825 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.51 148.17 47.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.97 0.414 . . . . 24.59 111.202 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -114.52 112.86 23.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.754 -0.657 . . . . 33.44 109.408 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.31 127.07 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.396 -0.366 . . . . 24.59 110.743 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.434 ' HA ' ' O ' ' A' ' 49' ' ' THR . 79.9 mt-10 -119.68 117.69 28.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.042 -0.526 . . . . 42.22 110.619 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' CYS . . . . . 0.437 ' HG ' HD12 ' A' ' 120' ' ' ILE . 43.8 m -102.75 112.85 25.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.96 -0.564 . . . . 25.59 109.992 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.21 -168.77 33.42 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.863 -0.684 . . . . 26.42 113.454 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.42 -12.25 29.37 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.826 3.017 . . . . 31.44 113.397 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -88.63 -5.46 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.026 0.441 . . . . 44.64 110.861 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.454 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 23.7 t80 -70.35 144.27 91.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 29.6 109.278 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 69.0 Cg_endo -96.44 16.33 35.57 Favored 'Cis proline' 0 C--N 1.348 0.536 0 C-N-CA 124.547 -1.022 . . . . 27.94 113.264 -0.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -70.08 -38.42 75.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 36.76 110.524 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.77 155.11 39.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.908 -0.587 . . . . 30.58 110.357 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -68.12 143.29 58.98 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.665 2.244 . . . . 28.58 112.161 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.55 177.51 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.654 2.236 . . . . 24.59 112.26 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -98.88 125.0 44.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.601 -0.518 . . . . 29.16 109.601 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.19 128.81 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.802 0.334 . . . . 24.59 111.371 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -142.58 144.99 33.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 41.41 110.134 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -87.7 145.85 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 24.59 111.029 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.09 -50.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.994 -0.743 . . . . 24.59 108.994 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 139.59 37.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.821 . . . . 24.59 109.923 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -63.54 126.58 27.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 35.04 111.261 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . 0.483 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 11.2 tt -144.24 135.96 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 24.59 110.846 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.44 ' ND2' ' HD3' ' A' ' 142' ' ' PRO . 79.8 m-20 -99.92 84.36 2.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.187 -0.672 . . . . 24.59 109.187 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.1 ttt -127.18 142.69 51.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.692 -0.685 . . . . 24.59 110.699 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.02 113.24 2.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 27.45 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.59 -11.65 15.96 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.952 -0.642 . . . . 24.59 112.644 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.71 135.38 45.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 122.617 -0.343 . . . . 24.59 110.791 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.12 136.54 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 26.32 109.854 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.67 -12.15 60.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.047 0.758 . . . . 24.59 113.047 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -101.43 -60.83 1.46 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.806 -0.358 . . . . 31.16 111.608 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 p -80.44 -35.94 34.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.021 0.439 . . . . 30.09 111.387 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.63 6.97 67.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.682 -0.771 . . . . 25.64 111.906 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 ttp -74.83 146.53 41.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.582 0.23 . . . . 38.85 110.456 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.65 134.74 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.304 -0.407 . . . . 25.28 110.781 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.11 111.84 20.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.087 -0.506 . . . . 34.12 110.146 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.98 -35.37 71.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.916 -0.584 . . . . 29.16 112.297 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -23.27 67.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 52.63 111.666 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -99.36 3.76 46.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.644 -0.253 . . . . 34.05 111.674 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.4 mm -119.31 118.02 32.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.896 -0.409 . . . . 26.63 109.896 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.88 -51.27 8.56 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.678 2.918 . . . . 26.05 114.938 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.14 -18.81 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 113.052 0.76 . . . . 25.84 113.052 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.79 -37.35 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.664 -0.415 . . . . 24.59 110.544 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.8 60.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.653 -0.499 . . . . 28.65 109.653 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 59.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.501 -0.925 . . . . 39.1 108.501 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -70.15 136.13 49.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.238 -0.892 . . . . 29.08 111.91 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -123.82 151.83 42.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.51 -0.922 . . . . 45.36 108.51 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -65.96 -10.47 39.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 37.64 111.427 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.45 59.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.208 -0.451 . . . . 26.71 110.693 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.98 178.72 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 24.59 110.844 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.438 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 4.6 p -161.14 176.8 10.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 24.59 109.652 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.437 HD12 ' HG ' ' A' ' 74' ' ' CYS . 62.4 mt -63.78 -36.57 77.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 109.083 -0.71 . . . . 24.59 109.083 179.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -55.49 -42.57 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 24.78 110.543 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.64 -42.06 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 24.59 110.715 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.68 -49.03 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 24.59 111.33 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.91 -42.82 98.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 24.59 111.382 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -68.82 -36.85 78.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 24.59 110.915 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -65.85 -45.74 81.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 30.3 110.257 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 131' ' ' MET . 92.1 mt -60.94 -42.54 98.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 24.59 110.63 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.52 -37.51 87.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.37 -0.377 . . . . 24.59 110.409 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -65.67 -40.09 92.03 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.873 -0.417 . . . . 27.05 109.873 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.5 -28.19 67.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 24.59 110.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 63.4 mtt -67.35 -28.81 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.247 0.546 . . . . 24.59 109.978 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.8 mtm -91.73 4.63 52.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 24.59 110.863 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 t -74.36 152.2 39.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.621 -0.511 . . . . 25.92 109.621 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -53.79 -34.3 58.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.962 0.727 . . . . 29.78 112.962 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -86.65 7.42 26.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.722 0.638 . . . . 28.22 112.722 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -134.11 -35.11 0.95 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.259 0.466 . . . . 24.59 112.259 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 14.2 ptm -63.9 -18.26 64.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.883 0.698 . . . . 24.59 112.883 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -121.98 40.27 3.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 35.29 111.391 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.02 133.55 20.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 24.59 110.694 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.27 115.61 2.62 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.781 2.321 . . . . 24.59 111.497 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -96.42 141.1 22.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 24.59 111.637 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PRO . . . . . 0.44 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 43.4 Cg_endo -67.76 165.7 26.83 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.942 2.428 . . . . 26.0 111.874 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -46.2 126.82 10.23 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.259 2.639 . . . . 30.09 112.787 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.61 130.03 42.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 46.96 111.03 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.6 -10.77 30.4 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.705 -0.759 . . . . 36.35 112.423 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -81.9 138.33 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.061 0.458 . . . . 36.19 111.189 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 p -114.15 158.38 21.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.718 -0.674 . . . . 36.38 110.259 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.81 -35.39 72.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 44.37 110.444 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -119.27 169.33 10.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.921 -0.77 . . . . 53.87 108.921 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 12.7 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.084 -0.96 . . . . 55.71 110.554 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.607 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.973 -0.38 . . . . 17.17 109.973 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -95.41 131.76 41.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.059 0.457 . . . . 21.89 111.571 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 pt -132.7 169.49 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.608 -0.724 . . . . 13.17 109.368 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.01 137.57 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.859 0.361 . . . . 13.17 110.554 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.402 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 40.4 t -113.01 114.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.505 . . . . 13.17 109.638 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -97.3 114.5 26.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.08 -0.509 . . . . 20.55 110.135 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.0 p -82.53 164.21 21.03 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.918 -0.583 . . . . 13.17 110.259 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 19.3 mt -69.46 -21.22 63.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.685 -0.487 . . . . 19.31 109.685 178.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -38.52 68.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.368 -0.833 . . . . 23.14 110.296 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.06 -18.92 5.83 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.661 -0.78 . . . . 19.74 112.888 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -68.87 110.5 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 21.93 110.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.25 105.95 17.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 13.17 109.525 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.402 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 22.9 pt -95.66 162.33 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.047 0.451 . . . . 17.08 111.446 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -105.37 146.27 29.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.797 -0.638 . . . . 16.3 109.523 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tp -145.13 148.92 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 15.88 110.928 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -114.62 109.8 18.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.878 -0.601 . . . . 28.9 109.89 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.607 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.8 m -133.89 162.27 39.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.15 -0.477 . . . . 13.17 110.845 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -104.87 155.0 38.22 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.102 -0.703 . . . . 18.17 109.102 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.78 -28.88 69.25 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.092 . . . . 13.17 112.926 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.97 3.34 51.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 13.17 111.825 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -75.26 142.71 43.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.975 0.417 . . . . 18.03 110.428 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.479 ' O ' HG21 ' B' ' 26' ' ' VAL . 17.4 p -89.26 153.61 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 13.17 110.371 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.92 -32.19 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 13.17 111.0 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.52 -43.87 97.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.886 0.374 . . . . 36.51 110.275 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -67.75 -34.86 77.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 25.66 109.696 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.479 HG21 ' O ' ' B' ' 22' ' ' THR . 89.2 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.835 -0.62 . . . . 13.17 109.513 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.75 -39.03 90.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 15.47 110.418 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 13.17 110.7 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.14 -39.12 93.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 24.98 110.209 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.25 -38.44 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.811 -0.632 . . . . 13.17 110.009 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -69.04 -23.64 64.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 14.76 110.939 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.298 -0.41 . . . . 26.29 111.556 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -96.63 -41.17 8.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.871 0.693 . . . . 30.06 112.871 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -89.63 -39.21 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.156 -0.34 . . . . 25.19 111.517 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.92 5.71 57.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.522 -0.847 . . . . 13.17 112.545 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.02 119.27 76.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.522 -0.177 . . . . 13.17 110.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_exo -62.66 131.45 33.51 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.442 2.094 . . . . 13.17 111.683 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -52.77 -28.05 36.65 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.079 2.519 . . . . 13.17 113.256 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.8 -35.85 79.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.066 0.46 . . . . 35.55 110.777 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -95.03 8.05 44.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 20.52 110.471 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -101.25 112.05 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.699 -0.682 . . . . 13.17 111.052 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.403 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.2 ttp180 -123.75 96.73 5.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.733 -0.84 . . . . 36.39 108.733 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -82.85 126.75 32.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 13.17 112.145 -178.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.25 128.53 75.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.471 -0.786 . . . . 13.9 109.391 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.462 ' CD2' HG12 ' B' ' 61' ' ' ILE . 52.9 t80 -146.82 140.86 26.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.192 -0.299 . . . . 13.17 110.192 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 24.41 11.41 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.018 -0.537 . . . . 13.17 111.527 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.63 26.64 66.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.896 -0.669 . . . . 13.93 112.671 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -138.92 152.75 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.706 0.288 . . . . 13.17 110.617 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 123.47 29.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 23.23 109.636 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' B' ' 45' ' ' PHE . 26.8 mt -78.77 105.82 10.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.226 -0.443 . . . . 13.17 110.559 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -70.63 135.34 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.587 -0.279 . . . . 33.44 110.316 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -51.11 -46.94 62.02 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.658 0.614 . . . . 28.37 112.658 -178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.3 -9.83 81.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.002 -0.618 . . . . 15.0 113.971 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -87.03 161.59 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.374 0.587 . . . . 25.5 110.901 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 36.5 p -100.5 164.35 11.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 13.17 110.841 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.102 0.477 . . . . 13.17 110.641 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.9 m -78.8 -5.11 52.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.885 -0.598 . . . . 13.59 111.258 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -88.24 -13.71 40.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.733 0.301 . . . . 13.17 111.195 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.21 18.88 9.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 13.17 111.194 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.36 44.52 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.825 -0.625 . . . . 25.45 110.606 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.462 HG12 ' CD2' ' B' ' 45' ' ' PHE . 52.5 mt -92.2 126.0 44.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 14.6 109.629 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -117.32 -169.6 1.69 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.177 -0.465 . . . . 33.23 110.677 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -73.33 157.92 36.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.286 -0.415 . . . . 25.97 110.188 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 65.8 8.59 5.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.97 -0.559 . . . . 32.61 112.369 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -75.62 145.53 41.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.288 -0.264 . . . . 13.17 110.288 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -106.98 97.79 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.164 0.507 . . . . 13.17 110.734 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.5 138.49 41.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.826 -0.625 . . . . 13.17 109.617 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -95.72 115.15 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.262 -0.273 . . . . 16.3 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 27.0 tp -94.44 105.64 17.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.101 0.477 . . . . 13.17 110.792 -179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' B' ' 42' ' ' ARG . 11.3 t -86.0 88.04 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.708 -0.678 . . . . 13.17 109.775 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.17 134.52 46.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.596 . . . . 19.57 111.196 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -115.2 100.4 8.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.914 -0.585 . . . . 35.08 109.947 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.19 140.69 36.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 32.31 110.18 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -116.47 135.17 54.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.14 -0.482 . . . . 42.75 110.733 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.31 122.87 3.01 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.643 -0.789 . . . . 36.31 112.227 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.859 0 CA-C-O 118.673 -1.07 . . . . 36.27 111.593 -179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.273 0.558 . . . . 13.75 111.333 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.53 147.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.736 -0.666 . . . . 14.12 110.143 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.3 m -155.4 150.86 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.837 -0.431 . . . . 14.51 109.837 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 15.3 p90 -157.0 173.54 16.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.33 -0.248 . . . . 16.01 110.33 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 C-N-CA 120.687 -0.768 . . . . 16.67 111.798 -179.841 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.236 0.353 0 CA-C-O 121.241 0.543 . . . . 40.81 110.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.16 147.95 29.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.631 -0.713 . . . . 18.23 111.252 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.44 138.21 52.0 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.785 -0.82 . . . . 26.25 108.785 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.81 145.68 16.86 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.627 -0.797 . . . . 14.96 111.693 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 ttp -130.89 124.13 30.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 21.59 110.772 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.52 120.77 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 12.92 110.069 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -85.8 107.68 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.313 -0.625 . . . . 12.18 109.313 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.35 129.87 19.78 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.359 -0.837 . . . . 13.21 114.205 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.26 133.54 26.74 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.001 2.468 . . . . 14.44 112.442 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 35.5 Cg_exo -61.44 161.57 23.49 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.68 2.253 . . . . 17.43 112.377 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 71.24 10.08 6.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.495 0.718 . . . . 32.61 112.461 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -124.31 -177.5 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 17.94 109.702 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -77.18 -6.27 52.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.283 0.563 . . . . 18.91 110.215 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.522 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 31.0 m-85 -107.49 13.62 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.704 -0.68 . . . . 16.86 109.541 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -57.45 123.81 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.65 . . . . 37.17 112.349 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 59.58 29.67 19.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.535 -0.757 . . . . 30.81 111.547 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.412 ' HD3' ' OH ' ' A' ' 68' ' ' TYR . 25.3 mtt180 -109.35 110.41 21.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.866 0.365 . . . . 25.62 110.303 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -84.98 100.74 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.172 0.51 . . . . 19.36 110.064 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.451 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 54.5 m-85 -90.72 138.97 31.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 12.92 111.02 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -111.89 139.22 47.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.812 -0.631 . . . . 13.09 110.321 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.75 162.25 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.115 -0.493 . . . . 13.47 110.974 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -122.58 125.19 45.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.533 -0.758 . . . . 33.44 109.081 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.94 130.29 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.094 0.473 . . . . 19.18 111.371 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -122.56 109.01 13.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 42.22 109.792 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 m -86.23 117.74 25.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.951 -0.568 . . . . 25.59 110.271 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.39 -178.9 40.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.156 -0.545 . . . . 26.42 113.013 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.29 -19.33 50.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.097 2.532 . . . . 31.44 112.391 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.96 -0.5 57.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.171 -0.468 . . . . 44.64 111.619 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 38.3 t80 -67.09 141.26 96.32 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.68 -0.489 . . . . 29.6 109.68 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 65.3 Cg_endo -96.19 15.51 37.31 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 124.369 -1.096 . . . . 27.94 113.729 0.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.89 -35.88 81.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.96 0.41 . . . . 36.76 110.55 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.67 151.98 42.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.747 -0.66 . . . . 30.58 110.577 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' TRP . 13.7 Cg_exo -66.98 133.41 31.02 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 28.58 112.125 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.58 171.08 18.12 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.582 2.188 . . . . 20.75 112.01 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -90.56 117.23 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.179 -0.304 . . . . 29.16 110.179 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.421 HG21 HG11 ' A' ' 123' ' ' VAL . 23.5 t -120.53 134.19 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.409 -0.36 . . . . 20.48 110.807 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -149.08 151.28 34.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.437 -0.347 . . . . 41.41 110.551 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -88.11 145.3 26.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 16.6 110.446 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.52 -43.12 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.202 -0.666 . . . . 18.03 109.202 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.04 143.88 29.46 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.348 -0.842 . . . . 15.79 109.915 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 70.0 mttt -62.76 125.01 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.004 0.43 . . . . 35.04 111.329 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.451 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 13.0 tt -144.71 138.16 22.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.684 -0.689 . . . . 14.88 110.751 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -102.11 94.96 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.849 -0.797 . . . . 14.21 108.849 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.6 ttt -140.75 140.33 34.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.344 -0.844 . . . . 15.6 109.351 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.23 124.74 20.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 27.45 110.906 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.77 -10.78 52.88 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.966 -0.635 . . . . 23.3 112.147 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.43 127.26 57.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.227 -0.286 . . . . 22.53 110.227 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -66.75 141.72 57.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 26.32 109.932 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -84.52 -12.61 53.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.274 0.842 . . . . 22.69 113.274 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -106.91 -44.13 4.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.106 0.41 . . . . 31.16 112.106 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -99.48 -26.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.84 0.353 . . . . 30.09 111.514 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.83 5.26 88.14 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.474 -0.87 . . . . 25.64 111.769 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -66.75 135.4 53.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.696 0.284 . . . . 38.85 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.64 139.16 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.99 -0.55 . . . . 25.28 109.944 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.518 ' OD2' ' HG2' ' A' ' 106' ' ' ARG . 24.9 t70 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 34.12 110.923 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.02 25.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.987 0.736 . . . . 29.16 112.987 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HG2' ' OD2' ' A' ' 104' ' ' ASP . 26.9 ptt-85 -68.05 -9.04 42.85 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.504 0.557 . . . . 52.63 112.504 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.4 m -87.96 -32.76 18.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.757 0.313 . . . . 34.05 110.701 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.404 HG22 HG22 ' A' ' 110' ' ' VAL . 21.0 mm -99.59 121.63 54.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.285 -0.416 . . . . 26.63 110.267 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.49 -48.78 12.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.637 2.891 . . . . 26.05 114.297 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 108' ' ' ILE . 34.6 m -68.68 -23.99 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 112.681 0.623 . . . . 25.84 112.681 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.1 mt -87.65 -38.01 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 23.97 110.363 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -67.83 -47.87 67.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 28.65 109.961 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -108.62 58.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 39.1 109.349 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' PRO . 68.6 t-105 -68.42 145.34 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 29.08 111.593 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -134.38 149.38 50.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.187 -0.915 . . . . 45.36 108.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -65.63 -11.99 49.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.779 0.288 . . . . 37.64 111.779 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -7.47 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 26.71 110.904 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -83.55 176.15 9.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.874 0.368 . . . . 23.06 110.906 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -155.36 176.19 12.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 17.53 109.807 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.38 -31.44 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.087 -0.708 . . . . 14.03 109.087 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.449 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.3 ttpt -56.17 -51.71 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 24.78 110.617 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.67 -38.07 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 17.36 111.273 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.421 HG11 HG21 ' A' ' 85' ' ' VAL . 94.6 t -61.14 -51.89 67.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 14.42 111.167 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.77 -41.83 98.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 11.53 110.867 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -64.45 -40.2 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 16.85 110.726 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -65.59 -43.79 88.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 30.3 110.218 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 131' ' ' MET . 68.2 mt -59.49 -46.08 89.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 14.04 110.121 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -64.96 -34.37 78.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 10.15 110.191 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 27.05 109.828 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.1 mt -70.82 -21.15 62.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.729 -0.669 . . . . 17.72 111.119 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 59.0 mtt -72.43 -26.11 61.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.293 0.568 . . . . 18.11 109.996 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.47 -8.12 59.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.743 -0.662 . . . . 22.93 110.568 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 m -69.71 146.3 51.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 25.92 110.424 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 137' ' ' MET . 46.9 tptt -55.3 -36.21 65.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 29.78 112.583 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.27 0.841 . . . . 28.22 113.27 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -118.84 -36.91 3.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.332 0.493 . . . . 18.41 112.332 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 134' ' ' LYS . 14.1 ptm -57.82 -21.9 44.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.21 0.818 . . . . 20.97 113.21 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -111.19 25.74 11.42 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.967 -0.293 . . . . 35.29 111.689 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 33.6 mt -92.94 123.0 62.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.109 -0.33 . . . . 15.71 110.109 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.66 119.87 7.4 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.783 2.322 . . . . 19.11 111.732 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -95.83 140.58 22.37 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.139 -0.482 . . . . 20.51 111.405 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 168.55 23.17 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.803 2.336 . . . . 26.0 111.297 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.98 121.72 2.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 30.09 113.393 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.0 126.72 28.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 46.96 110.659 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.66 -21.13 9.21 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.763 -0.732 . . . . 36.35 112.051 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.29 133.95 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.025 0.44 . . . . 36.19 110.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.41 156.98 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.968 -0.56 . . . . 36.38 110.553 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 58.8 m-85 -75.52 -9.37 58.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 44.37 110.821 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.88 146.51 27.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.024 -0.732 . . . . 53.87 109.024 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.988 -1.006 . . . . 55.71 110.038 -179.134 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.8 ptt? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.894 0.378 . . . . 17.17 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -96.08 124.52 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.879 -0.601 . . . . 21.89 110.316 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -118.97 155.79 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.585 -0.524 . . . . 10.83 109.585 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.658 0.266 . . . . 10.61 110.647 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.404 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 16.6 t -94.81 103.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.325 -0.62 . . . . 9.13 109.325 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -102.57 121.41 42.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.104 -0.498 . . . . 20.55 111.08 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.0 m -86.05 159.83 19.47 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.181 -0.674 . . . . 11.78 109.181 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.625 HD11 HG13 ' B' ' 70' ' ' VAL . 88.6 mt -60.2 -18.63 49.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.865 0.364 . . . . 19.31 111.346 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -25.4 63.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 23.14 110.741 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.03 -36.87 3.06 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.948 -0.644 . . . . 19.74 112.798 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.207 0.527 . . . . 21.93 111.8 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -119.63 117.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 12.33 109.701 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.404 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.6 pt -105.91 150.11 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.823 0.344 . . . . 17.08 110.74 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 130.65 44.34 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.965 -0.562 . . . . 16.3 110.129 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.37 127.49 49.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.56 -0.291 . . . . 15.88 110.665 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -97.58 94.54 7.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.887 -0.597 . . . . 28.9 109.67 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.8 m -133.91 169.55 21.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.431 -0.35 . . . . 12.05 111.075 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -109.93 153.41 43.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.444 -0.576 . . . . 18.17 109.444 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.2 Cg_exo -53.99 -30.49 59.39 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.906 2.404 . . . . 8.16 113.572 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -6.36 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.499 0.555 . . . . 11.13 112.499 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.34 145.43 33.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 18.03 110.487 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.16 151.36 22.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 10.22 110.976 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -60.15 -32.8 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 12.3 110.378 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 36.51 110.155 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.45 -37.25 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 25.66 109.546 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.69 -44.43 85.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.545 -0.752 . . . . 8.12 109.703 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.8 mttt -59.57 -42.91 93.54 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.84 -0.618 . . . . 15.47 110.751 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -37.29 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.757 -0.656 . . . . 11.45 111.066 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -68.16 -37.41 80.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.127 -0.488 . . . . 24.98 109.822 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.9 mt -68.57 -36.2 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.105 -0.702 . . . . 9.46 109.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.65 -30.84 71.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.533 -0.758 . . . . 14.76 110.714 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -75.55 -45.12 39.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 26.29 112.152 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -87.92 -36.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.12 0.785 . . . . 30.06 113.12 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -96.41 -38.73 9.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.977 0.362 . . . . 25.19 111.977 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.32 17.74 33.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.479 -0.867 . . . . 7.41 112.378 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.31 117.16 67.67 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.353 -0.24 . . . . 9.49 110.353 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.1 124.56 16.6 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.951 2.434 . . . . 11.42 112.513 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.2 Cg_exo -54.04 -29.58 55.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.727 2.952 . . . . 12.0 113.275 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.19 -34.28 71.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.845 -0.616 . . . . 35.55 111.992 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -101.56 20.18 16.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.899 0.38 . . . . 20.52 111.387 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -101.66 126.51 48.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.988 0.423 . . . . 7.13 110.663 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -134.83 108.91 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 36.39 109.358 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -86.97 135.59 33.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.151 0.501 . . . . 9.55 111.953 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -120.56 130.85 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.157 -0.929 . . . . 13.9 109.331 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD21 ' B' ' 50' ' ' LEU . 75.5 t80 -152.64 143.69 23.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.677 -0.238 . . . . 6.86 110.746 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.13 26.01 11.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.842 -0.617 . . . . 11.15 112.271 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 25.3 65.04 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.956 -0.64 . . . . 13.93 113.039 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -146.01 166.0 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.809 0.338 . . . . 0.0 110.659 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.75 139.89 30.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.558 . . . . 23.23 110.368 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' B' ' 45' ' ' PHE . 23.0 mt -97.27 159.54 14.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.347 -0.388 . . . . 9.11 110.103 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -99.32 -175.96 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.796 0.332 . . . . 33.44 111.015 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.26 -53.29 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 28.37 111.826 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.6 39.16 2.13 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.924 -0.58 . . . . 15.0 113.864 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' OH ' ' B' ' 59' ' ' TYR . 20.7 mmt180 -130.38 160.23 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.213 -0.662 . . . . 25.5 109.213 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 68.2 p -94.49 169.07 10.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.73 0.3 . . . . 11.95 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 22.9 mt -67.38 -28.7 68.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.603 -0.518 . . . . 10.17 109.603 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -21.6 62.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.725 -0.671 . . . . 13.59 110.749 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -64.38 -29.41 70.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.274 -0.421 . . . . 11.7 111.262 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' B' ' 54' ' ' ARG . 3.1 m-85 -109.39 7.92 25.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 12.95 110.293 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 60.21 45.92 10.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.837 -0.619 . . . . 25.45 110.822 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.9 mt -86.41 122.8 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.948 -0.39 . . . . 14.6 109.948 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -165.58 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.085 -0.507 . . . . 33.23 110.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -79.79 163.23 24.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.985 -0.552 . . . . 25.97 110.741 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 55.51 28.43 11.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 32.61 111.771 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -93.14 127.31 38.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.794 0.33 . . . . 10.56 110.356 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -87.21 91.35 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 5.33 110.924 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.66 153.81 34.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.709 -0.678 . . . . 11.66 109.278 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -110.07 119.49 39.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.01 0.433 . . . . 16.3 111.055 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -96.03 103.56 15.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.627 -0.715 . . . . 9.96 109.691 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 8' ' ' LEU . 57.3 t . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.648 -0.706 . . . . 9.76 109.789 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.354 . . . . 13.75 111.608 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.42 143.44 14.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 14.12 112.243 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -149.18 147.15 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 14.51 109.486 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 41.9 p90 -153.52 171.23 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.661 0.267 . . . . 16.01 110.73 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.122 -0.791 . . . . 16.67 111.122 179.573 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.875 0.369 . . . . 40.81 111.656 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -116.83 145.05 43.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 18.23 111.144 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -108.95 120.5 42.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.569 -0.741 . . . . 26.25 110.224 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.4 15.06 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.777 -0.929 . . . . 14.96 110.777 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.9 ttp -128.84 128.48 43.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.334 0.567 . . . . 21.59 110.658 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.14 120.23 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.836 -0.62 . . . . 12.92 110.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.89 117.67 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.663 -0.866 . . . . 12.18 108.663 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.704 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.42 126.4 15.68 Favored Glycine 0 N--CA 1.449 -0.445 0 O-C-N 123.683 0.614 . . . . 13.21 113.394 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.3 Cg_exo -56.99 136.0 74.13 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.141 2.561 . . . . 14.44 112.427 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 39.2 Cg_exo -58.19 159.58 18.47 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.757 2.304 . . . . 17.43 112.435 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 21.7 mmm180 73.88 -35.79 0.32 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.624 0.769 . . . . 32.61 112.466 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -74.04 177.15 5.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.163 -0.31 . . . . 17.94 110.163 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.71 -4.36 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.099 0.476 . . . . 18.91 110.491 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.704 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 54.3 m-85 -98.97 3.15 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 16.86 110.305 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -52.36 128.81 26.61 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.558 0.577 . . . . 37.17 112.558 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.5 t30 62.67 22.82 13.57 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.27 -0.877 . . . . 30.81 111.839 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 36.2 mtt180 -103.47 108.63 19.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.962 -0.461 . . . . 25.62 110.236 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.76 102.89 11.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.011 -0.541 . . . . 19.36 109.729 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.596 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 48.7 m-85 -95.58 139.38 31.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 12.92 111.778 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -107.16 137.96 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 13.09 109.79 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.15 154.82 47.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.407 -0.36 . . . . 13.47 111.122 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -115.56 125.78 53.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.21 -0.663 . . . . 33.44 109.21 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.26 124.21 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.353 -0.385 . . . . 19.18 110.512 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -115.42 103.84 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 42.22 110.3 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.6 m -83.98 110.68 18.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.765 -0.652 . . . . 25.59 110.331 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.53 -178.07 39.29 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.942 -0.647 . . . . 26.42 112.757 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.31 -14.59 28.33 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.915 2.41 . . . . 31.44 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -88.15 -1.27 57.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.462 . . . . 44.64 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -68.54 140.39 92.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 29.6 109.535 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -97.69 21.47 26.16 Favored 'Cis proline' 0 N--CA 1.459 -0.532 0 C-N-CA 124.381 -1.091 . . . . 27.94 113.426 0.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -69.67 -37.27 76.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 36.76 109.906 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 144.59 31.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.464 -0.789 . . . . 30.58 110.246 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.22 132.51 34.24 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.762 2.308 . . . . 28.58 112.663 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.45 160.88 43.69 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.768 2.312 . . . . 20.75 112.143 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.78 116.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 29.16 110.288 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.84 130.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.394 -0.366 . . . . 20.48 110.801 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -143.85 149.79 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.541 -0.3 . . . . 41.41 110.721 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.66 143.78 27.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.122 -0.49 . . . . 16.6 110.629 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.23 -50.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.187 0.517 . . . . 18.03 110.076 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 150.24 31.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.574 -0.739 . . . . 15.79 110.057 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 77.1 mttt -67.03 123.32 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.964 0.411 . . . . 35.04 111.172 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.596 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.0 tt -145.02 135.4 19.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.474 -0.784 . . . . 14.88 110.496 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -101.57 97.13 7.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 14.21 109.358 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.8 ttt -139.14 139.63 37.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.528 -0.76 . . . . 15.6 109.767 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -56.93 110.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.297 0.373 . . . . 27.45 111.622 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.04 -11.21 20.37 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 23.3 112.652 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.45 126.32 57.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.228 -0.286 . . . . 22.53 110.228 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -63.46 138.16 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 26.32 110.379 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -86.77 -3.47 59.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.711 0.634 . . . . 22.69 112.711 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 m -112.65 -53.95 2.66 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.191 -0.318 . . . . 31.16 111.574 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 p -89.59 -29.98 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 30.09 110.838 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.11 74.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.877 -0.678 . . . . 25.64 111.803 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -67.01 145.44 55.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.76 0.314 . . . . 38.85 110.637 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -98.3 126.5 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 25.28 110.326 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.45 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 23.3 t0 -74.04 121.76 21.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 34.12 110.445 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.599 -0.728 . . . . 29.16 112.635 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 25.2 ptt-85 -81.89 -1.61 48.37 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.448 -0.501 . . . . 52.63 111.584 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.4 m -99.93 -15.29 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 34.05 109.966 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 mm -111.11 119.69 45.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.791 -0.641 . . . . 26.63 109.856 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.95 -49.8 14.27 Favored 'Trans proline' 0 CA--C 1.534 0.507 0 C-N-CA 123.398 2.732 . . . . 26.05 114.271 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.47 -16.21 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.619 0.599 . . . . 25.84 112.619 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 mt -96.02 -40.62 9.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.711 0.291 . . . . 23.97 110.309 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.95 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.299 0.571 . . . . 28.65 109.709 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -111.33 57.43 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 39.1 108.932 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -61.54 143.23 56.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 29.08 111.465 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -129.05 147.24 50.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.733 -0.84 . . . . 45.36 108.733 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -66.55 -9.03 30.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.441 . . . . 37.64 111.385 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -6.6 59.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 26.71 111.131 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -89.82 171.66 9.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 23.06 110.583 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.5 p -148.92 178.9 8.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 17.53 109.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 120' ' ' ILE . 22.1 mt -59.52 -40.27 81.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.502 0.667 . . . . 14.03 109.948 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 25.8 ttpt -58.37 -42.45 87.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.886 -1.052 . . . . 24.78 110.953 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.08 -41.81 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 17.36 110.745 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 44.1 t -63.0 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 14.42 110.583 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.22 -43.13 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 11.53 110.739 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -65.55 -39.48 91.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 16.85 110.734 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 129' ' ' ARG . 10.0 tp10 -63.13 -44.61 95.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.041 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 95.7 mt -60.12 -44.2 95.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 14.04 110.406 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -66.12 -32.99 74.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.001 0.429 . . . . 10.15 110.276 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' A' ' 126' ' ' GLU . 69.1 ttp85 -68.15 -39.11 82.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.482 -0.562 . . . . 27.05 109.482 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.23 -19.98 60.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.427 -0.806 . . . . 17.72 110.952 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.5 mtt -71.38 -24.28 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.41 0.624 . . . . 18.11 109.677 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.7 mtm -90.52 3.44 53.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.764 . . . . 22.93 110.507 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.94 144.2 52.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.738 -0.467 . . . . 25.92 109.738 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -53.81 -39.14 65.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.162 0.431 . . . . 29.78 112.162 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -84.31 14.08 4.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.355 0.502 . . . . 28.22 112.355 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -135.06 -45.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 18.41 111.594 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.9 ptm -54.56 -22.71 14.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.765 1.024 . . . . 20.97 113.765 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.02 13.58 19.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.008 0.373 . . . . 35.29 112.008 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.19 129.4 82.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.886 -0.325 . . . . 15.71 110.528 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.83 117.84 4.59 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 19.11 111.174 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -89.54 152.38 47.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.199 -0.455 . . . . 20.51 111.579 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.86 166.62 23.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.917 2.411 . . . . 26.0 110.559 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -49.44 119.88 5.11 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.429 2.086 . . . . 30.09 112.277 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.78 134.62 57.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.974 -0.557 . . . . 46.96 110.677 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.03 -26.9 12.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.316 -0.714 . . . . 36.35 111.316 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -69.58 140.8 53.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 36.19 110.62 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 162.69 18.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.201 -0.454 . . . . 36.38 109.907 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 43.6 m-85 -80.66 -13.46 59.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.371 0.605 . . . . 44.37 110.23 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.793 . . . . 53.87 109.754 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.194 -0.907 . . . . 55.71 110.716 179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.18 -0.304 . . . . 17.17 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -98.69 128.63 45.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.294 0.569 . . . . 21.89 111.18 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -124.21 165.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.794 -0.639 . . . . 10.83 109.479 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.6 m-85 -117.38 118.07 31.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.779 0.323 . . . . 10.61 110.967 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.424 ' HB ' HG13 ' B' ' 13' ' ' ILE . 12.1 t -99.42 108.13 21.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.731 -0.84 . . . . 9.13 108.731 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -110.94 129.58 55.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 20.55 111.304 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -84.2 167.47 16.65 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.442 -0.577 . . . . 11.78 109.442 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.682 HD11 HG13 ' B' ' 70' ' ' VAL . 20.5 mt -66.44 -26.84 67.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.101 0.477 . . . . 19.31 110.239 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -32.08 68.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.515 -0.766 . . . . 23.14 110.949 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.65 -21.67 4.72 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.416 -0.897 . . . . 19.74 113.309 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -60.03 122.26 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.006 0.431 . . . . 21.93 110.765 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -116.37 129.28 56.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.815 -0.629 . . . . 12.33 110.427 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.424 HG13 ' HB ' ' B' ' 5' ' ' VAL . 31.8 pt -124.04 142.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 17.08 110.603 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.38 140.78 29.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.267 -0.424 . . . . 16.3 110.344 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -136.41 137.56 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.37 . . . . 15.88 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.11 97.95 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.989 -0.55 . . . . 28.9 109.565 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.23 171.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.505 . . . . 12.05 111.079 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -106.03 151.51 40.1 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 18.17 109.685 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.96 -19.77 64.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.444 2.096 . . . . 8.16 112.274 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -93.16 5.51 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 11.13 111.391 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.2 148.21 30.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 18.03 110.108 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -84.72 153.89 22.79 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.877 -0.601 . . . . 10.22 110.775 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.68 -34.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 12.3 110.004 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -62.43 -40.25 95.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.549 . . . . 36.51 110.354 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -66.34 -42.48 88.04 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.554 -0.536 . . . . 25.66 109.554 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.98 -45.12 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 8.12 110.152 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.97 -40.9 97.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.633 -0.712 . . . . 15.47 110.703 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.89 86.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.053 -0.521 . . . . 11.45 110.791 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.74 -39.26 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.171 -0.468 . . . . 24.98 109.918 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.03 -38.37 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 9.46 109.845 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -68.62 -19.04 64.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 14.76 110.72 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -81.18 -41.62 22.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.471 -0.331 . . . . 26.29 111.53 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -95.06 -32.1 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.464 0.542 . . . . 30.06 112.464 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -100.76 -39.48 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.588 0.232 . . . . 25.19 111.572 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 18.98 44.05 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.631 -0.795 . . . . 7.41 112.754 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.53 117.99 68.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.68 -0.306 . . . . 9.49 110.335 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.78 124.17 15.56 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.763 2.309 . . . . 11.42 112.314 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -49.04 -30.9 19.3 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.812 3.008 . . . . 12.0 113.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.0 -40.93 77.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 35.55 112.244 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -92.59 2.62 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 20.52 111.608 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -83.61 97.69 9.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.818 0.342 . . . . 7.13 111.148 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.521 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 10.3 tpp180 -96.83 96.32 8.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.58 -0.896 . . . . 36.39 108.58 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' B' ' 50' ' ' LEU . 29.1 mt -89.07 127.5 35.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 9.55 112.205 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 mm -119.17 136.97 54.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 115.264 -0.88 . . . . 13.9 109.614 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.597 ' CE2' HG12 ' B' ' 61' ' ' ILE . 88.5 t80 -152.59 137.38 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.613 0.244 . . . . 6.86 110.892 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 30.26 13.88 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.907 -0.588 . . . . 11.15 112.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.74 22.62 78.05 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.95 -0.643 . . . . 13.93 112.799 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -136.61 151.77 49.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.585 0.231 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.91 131.46 34.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.107 -0.497 . . . . 23.23 109.713 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' B' ' 45' ' ' PHE . 39.7 mt -84.35 122.45 28.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.718 0.294 . . . . 9.11 111.756 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.521 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 21.6 tt0 -78.33 138.41 38.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 33.44 109.724 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.3 -30.27 70.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.588 0.588 . . . . 28.37 112.588 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . 0.521 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -93.06 13.18 68.29 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 15.0 113.325 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.436 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.2 mmp_? -103.96 168.99 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.085 0.443 . . . . 25.5 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.9 p -110.68 165.73 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.619 . . . . 11.95 110.115 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 mt -63.85 -33.26 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 10.17 111.669 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -24.49 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.683 -0.235 . . . . 13.59 111.6 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 58.5 m-20 -63.49 -32.22 73.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.106 0.479 . . . . 11.7 111.014 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -105.74 9.12 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 12.95 111.333 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.09 48.3 10.82 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.37 0.605 . . . . 25.45 110.784 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.597 HG12 ' CE2' ' B' ' 45' ' ' PHE . 49.3 mt -85.82 119.4 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.016 -0.538 . . . . 14.6 110.113 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -97.82 -176.09 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 33.23 110.753 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -76.97 159.6 29.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.97 109.998 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.24 12.18 6.93 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.571 0.545 . . . . 32.61 111.974 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -76.77 150.18 36.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 10.56 109.676 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -113.83 103.85 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.328 0.585 . . . . 5.33 111.092 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.46 156.37 35.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.403 -0.817 . . . . 11.66 110.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -112.62 110.77 21.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.875 -0.417 . . . . 16.3 109.875 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -92.14 104.78 17.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 9.96 110.575 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.682 HG13 HD11 ' B' ' 8' ' ' LEU . 40.7 t . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.417 -0.811 . . . . 9.76 109.457 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.42 HG22 HD22 ' B' ' 8' ' ' LEU . 39.9 p . . . . . 0 C--O 1.234 0.281 0 CA-C-O 121.058 0.456 . . . . 13.75 110.7 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 m -61.54 131.37 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.601 . . . . 14.12 111.012 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -139.13 138.54 37.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.923 -0.581 . . . . 14.51 110.36 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -138.67 160.3 39.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.925 -0.58 . . . . 16.01 110.224 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 121.022 -0.609 . . . . 16.67 111.992 179.77 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 110.081 -0.34 . . . . 40.81 110.081 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -124.93 140.11 53.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 18.23 111.538 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.6 m -92.39 116.58 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.499 -0.773 . . . . 26.25 110.519 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.45 144.91 18.6 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.481 -0.866 . . . . 14.96 111.709 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ttp -138.06 128.1 25.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.11 -0.33 . . . . 21.59 110.11 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.62 130.33 69.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.11 0.481 . . . . 12.92 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -84.97 118.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.628 -0.714 . . . . 12.18 109.15 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.34 117.32 3.71 Favored Glycine 0 N--CA 1.452 -0.254 0 O-C-N 123.622 0.576 . . . . 13.21 113.226 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.2 Cg_exo -57.92 126.77 22.7 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.195 2.597 . . . . 14.44 112.583 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 29.6 Cg_exo -63.03 156.59 53.8 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.312 2.008 . . . . 17.43 112.203 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 68.19 21.31 8.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.772 -0.649 . . . . 32.61 111.918 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.2 p -133.59 178.9 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.758 -0.46 . . . . 17.94 109.758 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -79.12 -2.61 41.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 18.91 110.851 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 60.7 m-85 -105.96 6.24 31.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.36 0.6 . . . . 16.86 109.739 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.56 138.75 57.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.257 -0.883 . . . . 37.17 113.275 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 t30 62.66 19.59 11.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.809 -1.087 . . . . 30.81 112.754 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -105.87 144.36 32.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.991 0.424 . . . . 25.62 110.662 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.0 mt -107.72 106.28 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.521 -0.548 . . . . 19.36 109.521 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.0 m-85 -94.92 132.15 40.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 12.92 111.818 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.13 129.04 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.401 -0.818 . . . . 13.09 109.933 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -121.94 147.27 46.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.018 0.437 . . . . 13.47 111.364 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -124.62 105.87 9.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.886 -0.783 . . . . 33.44 108.886 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.96 130.89 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 19.18 111.046 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.02 117.62 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.135 -0.484 . . . . 42.22 110.287 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.0 m -104.5 99.75 9.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 25.59 109.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.33 -168.94 15.19 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.171 -0.538 . . . . 26.42 113.625 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.66 -12.27 30.93 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.418 2.746 . . . . 31.44 112.885 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -91.14 -8.56 48.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.62 0.248 . . . . 44.64 110.857 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -73.75 140.69 78.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 29.6 109.576 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.435 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 16.2 Cg_endo -96.86 18.33 31.91 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 124.7 -0.958 . . . . 27.94 113.202 -0.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.74 -35.1 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.154 0.502 . . . . 36.76 110.335 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.49 156.92 46.93 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.686 -0.688 . . . . 30.58 109.707 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -65.85 130.23 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.613 2.209 . . . . 28.58 112.537 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.07 169.52 21.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.59 2.193 . . . . 20.75 111.758 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -88.2 114.54 24.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.683 0.278 . . . . 29.16 110.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.17 132.39 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 20.48 110.947 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -150.77 150.87 31.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 41.41 110.356 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -96.29 146.01 25.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 16.6 110.505 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.0 t -95.79 -37.99 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.284 0.564 . . . . 18.03 109.522 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.88 144.07 26.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.52 -0.764 . . . . 15.79 109.843 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 80.1 mttt -65.04 119.69 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 35.04 110.943 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.504 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.8 tt -134.53 130.89 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.706 -0.679 . . . . 14.88 110.653 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -100.28 84.96 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.104 -0.702 . . . . 14.21 109.104 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.8 ttt -133.8 141.99 47.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.214 -0.903 . . . . 15.6 109.761 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.42 113.71 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 27.45 111.397 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.9 -25.6 6.75 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 23.3 112.199 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.42 HG13 HG22 ' A' ' 103' ' ' VAL . 3.6 mp -96.74 129.33 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.437 . . . . 22.53 110.653 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -66.4 138.29 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.677 -0.692 . . . . 26.32 109.867 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -81.52 -14.26 57.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.879 0.696 . . . . 22.69 112.879 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 m -100.15 -55.83 2.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.814 -0.354 . . . . 31.16 111.952 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -86.93 -37.0 18.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.777 0.322 . . . . 30.09 111.576 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.13 10.42 57.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.596 -0.811 . . . . 25.64 112.088 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mtp -76.87 149.29 36.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.304 -0.258 . . . . 38.85 110.304 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 96' ' ' ILE . 3.6 t -99.58 129.41 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.387 -0.369 . . . . 25.28 111.182 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.39 116.15 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 34.12 110.045 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.78 75.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 29.16 112.207 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 106' ' ' ARG . 14.4 mtm180 -67.55 -26.7 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 52.63 111.705 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -82.75 -18.5 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.74 0.305 . . . . 34.05 111.401 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 111' ' ' LEU . 33.6 mm -101.26 120.79 53.98 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.247 -0.279 . . . . 26.63 110.247 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -50.17 -51.58 10.66 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.377 2.718 . . . . 26.05 114.148 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.6 m -69.28 -16.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.768 0.655 . . . . 25.84 112.768 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 62.7 mt -93.87 -41.67 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.397 . . . . 23.97 110.145 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.66 80.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.306 0.574 . . . . 28.65 109.658 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -109.32 44.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.891 -0.781 . . . . 39.1 108.891 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -60.65 140.4 57.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.05 -0.977 . . . . 29.08 112.429 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -130.66 146.14 52.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.527 -1.215 . . . . 45.36 108.018 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 15.5 p-10 -68.83 -1.65 7.68 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.077 0.399 . . . . 37.64 112.077 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -4.93 57.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.142 0.496 . . . . 26.71 110.082 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -93.08 167.32 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 23.06 110.606 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p -150.41 -176.15 5.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.847 -0.615 . . . . 17.53 110.222 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 9.0 mt -57.75 -40.37 75.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.216 -0.447 . . . . 14.03 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 38.2 ttpt -55.75 -46.94 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.655 . . . . 24.78 110.946 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.64 -42.9 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 17.36 111.04 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.2 t -59.91 -48.57 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 14.42 110.961 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.38 -41.96 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 11.53 111.031 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 97.2 mt-30 -66.04 -42.81 89.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 16.85 111.137 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.27 -43.77 90.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 30.3 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.53 -43.69 89.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 14.04 110.772 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -66.3 -33.72 76.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.437 -0.347 . . . . 10.15 110.772 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.51 -41.15 96.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.67 -0.493 . . . . 27.05 109.67 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.79 -18.22 62.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.746 . . . . 17.72 110.923 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.5 mtt -75.89 -22.25 56.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.262 0.553 . . . . 18.11 109.605 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.9 mtm -95.74 6.29 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.68 -0.691 . . . . 22.93 110.054 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.5 m -74.73 142.93 44.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.853 -0.612 . . . . 25.92 109.448 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -49.66 -39.1 35.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.981 0.734 . . . . 29.78 112.981 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -73.16 -17.79 61.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.347 0.869 . . . . 28.22 113.347 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -112.97 -37.48 4.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.596 0.591 . . . . 18.41 112.596 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 24.8 ptm -54.76 -20.7 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.695 0.998 . . . . 20.97 113.695 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -117.3 18.93 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.127 0.417 . . . . 35.29 112.127 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 20.9 mt -79.53 136.02 56.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 120.994 -0.282 . . . . 15.71 110.379 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 24.3 Cg_exo -63.16 109.51 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.547 2.164 . . . . 19.11 111.667 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -85.53 147.98 48.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 20.51 111.0 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.07 167.41 27.04 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.587 2.191 . . . . 26.0 111.031 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -44.82 128.42 8.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.161 2.574 . . . . 30.09 112.879 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.05 130.42 46.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.537 -0.756 . . . . 46.96 111.276 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.46 11.77 46.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.511 -0.852 . . . . 36.35 113.35 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -93.48 132.87 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.277 0.539 . . . . 36.19 110.268 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.4 p -109.98 160.0 16.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.811 0.338 . . . . 36.38 111.221 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.462 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 25.9 m-85 -83.39 -5.97 59.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 44.37 110.591 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -147.99 151.08 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.042 -0.526 . . . . 53.87 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.257 -0.877 . . . . 55.71 110.863 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.215 -0.291 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -92.18 126.74 37.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 21.89 111.493 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -124.94 171.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.098 -0.704 . . . . 10.83 109.098 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.8 m-85 -127.58 137.17 52.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.036 0.446 . . . . 10.61 110.862 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.06 115.68 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.078 -0.712 . . . . 9.13 109.078 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -112.27 128.14 56.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.508 -0.314 . . . . 20.55 110.928 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -88.29 -177.68 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 11.78 110.654 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.689 HD11 HG13 ' B' ' 70' ' ' VAL . 22.5 mt -79.28 -6.24 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 19.31 111.223 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -5.89 44.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 23.14 110.273 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.71 -14.09 62.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 19.74 112.239 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -60.4 120.68 10.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 21.93 110.146 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -117.25 120.21 37.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.483 . . . . 12.33 110.58 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 pt -112.95 145.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 17.08 110.721 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -91.15 135.41 33.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.031 -0.531 . . . . 16.3 109.997 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' B' ' 29' ' ' LYS . 20.8 tp -137.1 144.88 43.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.168 -0.308 . . . . 15.88 110.168 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -114.81 117.73 31.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.186 0.517 . . . . 28.9 110.49 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.0 m -143.21 171.13 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.574 -0.739 . . . . 12.05 109.948 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 54.7 mm-40 -106.77 153.47 40.73 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.068 -0.345 . . . . 18.17 110.068 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.51 76.18 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.715 2.276 . . . . 8.16 113.2 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -82.21 -2.36 52.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 11.13 111.845 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.3 m-20 -70.89 143.7 50.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 18.03 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.4 p -83.28 150.91 25.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.547 -0.751 . . . . 10.22 110.205 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.96 -32.21 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.431 0.634 . . . . 12.3 109.591 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.74 -43.36 96.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.504 -0.771 . . . . 36.51 110.401 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.09 -35.84 82.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.048 0.452 . . . . 25.66 110.008 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.24 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.848 -0.615 . . . . 8.12 109.631 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.54 -39.93 89.69 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.968 -0.56 . . . . 15.47 110.391 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.64 98.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.727 -0.669 . . . . 11.45 110.805 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.438 ' HB3' HD11 ' B' ' 15' ' ' LEU . 63.8 mttt -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.836 -0.431 . . . . 24.98 109.836 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.19 -41.96 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 9.46 110.054 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -70.44 -28.53 65.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 14.76 110.384 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.72 -46.92 62.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 26.29 111.724 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -88.79 -36.31 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.983 0.734 . . . . 30.06 112.983 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -94.25 -58.47 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.766 0.317 . . . . 25.19 110.945 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.08 13.38 6.5 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.457 -0.878 . . . . 7.41 113.077 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -88.2 117.15 68.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 122.685 -0.303 . . . . 9.49 110.463 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 40.7 Cg_exo -58.56 132.96 51.39 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.648 2.232 . . . . 11.42 112.157 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.3 Cg_exo -55.72 -26.02 54.18 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.295 2.663 . . . . 12.0 113.217 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.43 -39.1 72.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.474 . . . . 35.55 111.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -101.74 14.09 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.342 . . . . 20.52 111.077 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.59 96.58 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 7.13 111.101 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.61 ' HE ' HD11 ' B' ' 44' ' ' ILE . 38.4 ttt180 -100.69 94.76 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.82 -0.807 . . . . 36.39 108.82 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.563 ' HB3' HD12 ' B' ' 50' ' ' LEU . 34.1 mt -77.86 121.94 24.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.204 0.526 . . . . 9.55 111.03 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.61 HD11 ' HE ' ' B' ' 42' ' ' ARG . 26.6 mm -117.49 126.61 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.333 -0.848 . . . . 13.9 109.774 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.477 ' HB3' HD21 ' B' ' 50' ' ' LEU . 90.4 t80 -158.43 151.15 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.599 -0.273 . . . . 6.86 110.647 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 23.45 13.67 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.968 -0.56 . . . . 11.15 112.041 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.46 16.57 80.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.913 -0.66 . . . . 13.93 112.679 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -140.67 177.67 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.894 0.378 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.476 ' HA ' HD13 ' B' ' 44' ' ' ILE . 4.6 tt0 -96.87 135.06 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 23.23 110.198 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' B' ' 43' ' ' LEU . 20.7 mt -89.22 122.43 32.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.208 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.434 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 0.9 OUTLIER -84.37 150.54 25.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.991 -0.549 . . . . 33.44 110.538 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.21 -43.8 90.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.213 0.82 . . . . 28.37 113.213 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 35.43 2.66 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.999 -0.619 . . . . 15.0 114.076 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.434 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 17.4 mmt180 -127.91 167.35 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.426 -0.455 . . . . 25.5 110.029 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 p -108.05 170.86 7.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.432 -0.349 . . . . 11.95 110.639 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 93.8 mt -64.98 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.981 0.42 . . . . 10.17 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -13.26 61.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 13.59 111.405 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -78.35 -18.47 55.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.697 0.284 . . . . 11.7 110.958 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.24 16.2 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 12.95 111.173 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 58.88 34.94 23.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.397 0.618 . . . . 25.45 111.271 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.7 mt -83.11 107.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.408 -0.589 . . . . 14.6 109.408 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -109.8 -166.75 1.12 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.923 -0.58 . . . . 33.23 110.289 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -68.59 154.56 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.51 -0.314 . . . . 25.97 110.635 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 69.24 -2.3 1.88 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.862 -0.608 . . . . 32.61 112.629 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -72.63 139.02 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.949 -0.389 . . . . 10.56 109.949 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 25.7 m -113.54 109.34 18.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.254 0.549 . . . . 5.33 110.563 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.77 149.6 26.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 11.66 110.498 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -95.65 104.78 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.572 -0.529 . . . . 16.3 109.572 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.59 102.19 13.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 9.96 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.689 HG13 HD11 ' B' ' 8' ' ' LEU . 21.3 t . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.771 -0.65 . . . . 9.76 110.763 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 56' ' ' ILE . 37.1 p . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.211 0.529 . . . . 13.75 111.481 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 m -120.85 129.04 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.813 -0.63 . . . . 14.12 110.128 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.9 m -142.36 140.43 32.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 14.51 110.408 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -144.62 179.27 7.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.431 -0.349 . . . . 16.01 110.7 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 111.624 -0.59 . . . . 16.67 111.624 179.524 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.763 0.316 . . . . 40.81 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -122.69 151.82 41.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.996 -0.547 . . . . 18.23 111.007 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -112.5 141.48 46.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.307 -0.627 . . . . 26.25 109.307 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.68 145.53 17.57 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.753 -0.736 . . . . 14.96 111.489 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' MET . . . . . 0.43 ' SD ' HG23 ' A' ' 67' ' ' ILE . 2.7 ttp -135.2 124.96 25.36 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.832 -0.433 . . . . 21.59 109.832 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.97 126.66 68.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.121 -0.49 . . . . 12.92 110.408 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.506 HD13 HG21 ' B' ' 70' ' ' VAL . 0.5 OUTLIER -89.39 107.47 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.834 -0.802 . . . . 12.18 108.834 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -49.98 137.17 23.55 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.811 -0.631 . . . . 13.21 114.415 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 56.9 Cg_endo -71.43 140.72 37.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.229 2.62 . . . . 14.44 112.543 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 16.6 Cg_exo -67.74 166.79 23.06 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.536 2.157 . . . . 17.43 112.198 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 71.12 14.64 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.797 -0.638 . . . . 32.61 111.189 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -134.4 -178.65 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.127 -0.694 . . . . 17.94 109.127 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -77.61 -5.81 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.084 0.469 . . . . 18.91 110.32 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.541 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 11.8 m-85 -104.18 13.26 32.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 16.86 109.679 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.6 109.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.674 0.62 . . . . 37.17 112.674 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 57.2 29.32 16.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.482 -0.781 . . . . 30.81 111.176 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.4 123.85 35.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.648 -0.501 . . . . 25.62 109.648 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.43 HG23 ' SD ' ' A' ' 54' ' ' MET . 78.9 mt -84.97 112.68 22.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.379 -0.373 . . . . 19.36 111.039 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 42.4 m-85 -108.15 121.35 44.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.075 -0.343 . . . . 12.92 110.075 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -94.6 131.89 39.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 13.09 110.66 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -125.88 155.7 40.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 13.47 110.653 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.63 121.42 27.0 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.551 -0.907 . . . . 33.44 108.551 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.5 t -113.28 128.72 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.032 0.444 . . . . 19.18 111.353 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.55 105.28 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 42.22 109.457 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -88.56 100.93 13.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 25.59 110.291 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 -178.38 17.53 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.916 -0.583 . . . . 26.42 113.497 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.63 -6.64 18.3 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.214 2.61 . . . . 31.44 112.558 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -93.06 -6.69 47.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.613 -0.267 . . . . 44.64 110.87 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.4 t80 -67.29 139.78 94.99 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 109.566 -0.531 . . . . 29.6 109.566 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.52 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 65.3 Cg_endo -99.26 21.16 23.2 Favored 'Cis proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.192 0.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -70.88 -41.5 71.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.845 0.355 . . . . 36.76 111.128 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.75 154.42 43.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.016 -0.538 . . . . 30.58 110.255 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.98 129.21 18.0 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.572 2.182 . . . . 28.58 112.293 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.02 171.73 17.35 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.552 2.168 . . . . 20.75 111.732 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.17 114.87 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.706 0.289 . . . . 29.16 110.439 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.98 129.42 69.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 20.48 110.645 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -146.35 159.2 43.69 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.758 0.313 . . . . 41.41 110.732 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -102.16 143.46 31.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 16.6 110.857 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.79 -43.97 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.549 -0.537 . . . . 18.03 109.549 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.2 143.47 28.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.672 -0.694 . . . . 15.79 109.779 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 71.8 mttt -65.61 125.55 25.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 35.04 111.407 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.9 tt -141.37 130.53 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 14.88 110.339 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.98 84.82 3.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.985 0.421 . . . . 14.21 110.014 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' MET . . . . . 0.572 ' HB3' HD12 ' A' ' 96' ' ' ILE . 3.9 ttp -126.63 146.04 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 15.6 110.001 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.19 113.36 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 27.45 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.71 -9.41 14.52 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.716 -0.754 . . . . 23.3 112.673 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.572 HD12 ' HB3' ' A' ' 93' ' ' MET . 33.8 mt -111.04 135.39 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.913 0.387 . . . . 22.53 111.131 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.29 132.96 41.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 26.32 109.327 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -83.55 -0.63 51.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.215 0.82 . . . . 22.69 113.215 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m -102.23 -59.27 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.972 -0.455 . . . . 31.16 111.53 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.91 -26.12 17.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.891 0.33 . . . . 30.09 111.891 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.99 21.53 35.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.494 -0.86 . . . . 25.64 112.009 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.5 mtp -82.3 139.38 34.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.787 0.327 . . . . 38.85 110.613 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.0 t -100.28 129.01 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 25.28 110.601 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 34.3 t0 -70.53 119.58 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 34.12 110.629 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.41 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 29.16 112.652 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.586 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 14.3 ptt-85 -74.18 -4.08 33.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 52.63 111.694 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 m -96.45 -12.46 24.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.183 0.516 . . . . 34.05 110.209 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.41 HG22 HG22 ' A' ' 110' ' ' VAL . 22.2 mm -111.39 118.92 46.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.586 -0.524 . . . . 26.63 109.586 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.76 -44.81 25.76 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.347 2.698 . . . . 26.05 114.438 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 108' ' ' ILE . 28.0 m -71.26 -25.27 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.428 0.529 . . . . 25.84 112.428 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.84 -38.72 14.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.838 0.351 . . . . 23.97 110.642 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.09 89.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.111 0.482 . . . . 28.65 110.265 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 57.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.799 -0.815 . . . . 39.1 108.799 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -66.09 139.66 58.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.487 -0.779 . . . . 29.08 112.261 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -128.32 148.8 50.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.774 -1.103 . . . . 45.36 108.513 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 30.0 p30 -67.42 -13.16 61.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.102 0.477 . . . . 37.64 110.79 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 0.26 35.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.956 -0.565 . . . . 26.71 110.406 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -91.09 -177.34 4.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.084 -0.507 . . . . 23.06 110.074 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 p -166.8 -179.17 4.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.914 -0.584 . . . . 17.53 109.749 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.7 mt -64.89 -34.6 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 14.03 109.742 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -59.9 -42.17 93.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.357 -0.838 . . . . 24.78 109.445 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.63 -39.69 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 17.36 110.832 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.18 -49.55 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 14.42 111.027 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.95 -41.28 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 11.53 111.186 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.32 -40.7 96.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.913 0.387 . . . . 16.85 110.62 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 30.3 110.727 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.18 -44.73 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 14.04 111.326 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -63.71 -34.08 77.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.721 0.296 . . . . 10.15 110.835 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -68.49 -38.23 80.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 27.05 109.849 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.22 -23.02 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.467 -0.788 . . . . 17.72 110.871 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.6 mtt -75.4 -18.76 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.263 0.554 . . . . 18.11 109.779 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.78 -0.55 55.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 22.93 110.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -65.72 147.06 54.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 25.92 110.491 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -54.47 -37.34 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 29.78 111.55 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -87.26 14.39 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.762 0.652 . . . . 28.22 112.762 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -137.12 -37.34 0.65 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.396 0.517 . . . . 18.41 112.396 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.3 ptm -61.23 -21.34 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.656 0.984 . . . . 20.97 113.656 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -121.39 30.65 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.353 0.501 . . . . 35.29 112.353 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 39.8 mt -89.32 141.97 29.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.836 -0.431 . . . . 15.71 109.836 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 35.7 Cg_exo -60.64 123.74 13.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.577 2.185 . . . . 19.11 111.103 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.9 143.87 27.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.808 0.337 . . . . 20.51 111.646 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.18 157.76 60.42 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 122.475 2.116 . . . . 26.0 111.601 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.55 130.16 21.4 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.132 2.555 . . . . 30.09 112.591 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.65 133.6 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 46.96 110.9 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.88 -12.11 32.16 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.598 -0.81 . . . . 36.35 112.229 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.34 123.79 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.989 0.424 . . . . 36.19 110.769 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.22 147.38 36.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.936 -0.575 . . . . 36.38 110.42 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 55.2 m-85 -66.27 -38.26 87.4 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.38 -0.6 . . . . 44.37 109.38 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -113.96 127.69 56.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.436 -0.802 . . . . 53.87 109.573 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.001 -0.999 . . . . 55.71 110.59 -179.283 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.069 -0.345 . . . . 17.17 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -97.13 119.92 36.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 21.89 111.036 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -110.6 168.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.519 -0.548 . . . . 10.83 109.519 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' B' ' 66' ' ' THR . 60.9 m-85 -118.19 138.54 52.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.726 0.298 . . . . 10.61 110.267 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.4 t -123.64 112.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.486 -0.561 . . . . 9.13 109.486 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -107.59 120.45 42.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.928 0.394 . . . . 20.55 111.227 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 0.7 OUTLIER -85.88 159.25 19.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.811 -0.631 . . . . 11.78 109.318 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.515 HD11 HG13 ' B' ' 70' ' ' VAL . 9.8 mt -59.03 -19.68 46.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.949 0.404 . . . . 19.31 111.468 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -21.71 62.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.464 . . . . 23.14 111.039 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.84 -4.73 30.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 19.74 112.518 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -79.63 123.98 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.863 0.363 . . . . 21.93 110.697 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -113.99 107.93 16.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.166 -0.47 . . . . 12.33 109.923 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -101.41 166.19 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.997 -0.547 . . . . 17.08 111.213 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 148.41 32.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.979 -0.555 . . . . 16.3 109.825 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -142.13 128.85 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.834 0.349 . . . . 15.88 111.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -94.55 103.91 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 28.9 109.749 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.34 168.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 12.05 111.365 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 82.0 mm-40 -112.17 153.12 44.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 18.17 109.808 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.98 -18.83 52.45 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.92 2.413 . . . . 8.16 113.115 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -1.15 57.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.147 -0.479 . . . . 11.13 111.526 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -82.23 154.97 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 18.03 111.437 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 46.0 p -91.67 154.46 18.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.22 110.565 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.51 -30.08 48.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.213 0.53 . . . . 12.3 110.098 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.36 -47.38 86.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.527 -0.76 . . . . 36.51 110.527 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -66.36 -31.95 73.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 25.66 110.16 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.01 -46.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 8.12 109.744 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.24 -34.4 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.617 -0.72 . . . . 15.47 110.666 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.92 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 11.45 110.747 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.97 -40.27 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 24.98 110.057 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.64 -38.03 81.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.55 . . . . 9.46 109.791 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -66.52 -33.88 76.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 14.76 110.636 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.08 -41.2 74.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 26.29 112.281 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -92.55 -47.67 7.01 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.13 0.789 . . . . 30.06 113.13 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -86.57 -24.22 25.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.312 0.486 . . . . 25.19 112.312 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.88 11.35 79.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.523 -0.846 . . . . 7.41 112.403 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.2 mt -86.07 119.25 71.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.36 -0.237 . . . . 9.49 110.36 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 28.6 Cg_exo -61.78 133.67 46.26 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.479 2.119 . . . . 11.42 112.205 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.5 Cg_exo -57.63 -24.04 60.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.101 2.534 . . . . 12.0 112.597 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.92 -22.33 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.596 . . . . 35.55 110.866 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -109.61 15.43 22.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 20.52 110.501 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -104.93 120.2 40.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 7.13 111.796 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 1.4 tpp180 -118.72 106.35 12.48 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.417 -0.957 . . . . 36.39 108.417 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.5 mt -92.76 113.22 25.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 9.55 111.49 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.95 127.34 66.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.558 -0.747 . . . . 13.9 109.865 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' B' ' 50' ' ' LEU . 55.4 t80 -156.9 149.45 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.856 -0.156 . . . . 6.86 110.869 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.64 29.35 13.47 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.812 0.695 . . . . 11.15 111.884 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.91 32.91 78.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.035 -0.602 . . . . 13.93 112.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -150.21 177.6 9.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.951 0.405 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -106.51 128.65 54.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.758 -0.656 . . . . 23.23 109.891 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' B' ' 43' ' ' LEU . 21.1 mt -82.6 111.74 18.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.515 -0.311 . . . . 9.11 110.331 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.469 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 24.1 tt0 -73.41 134.05 43.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.478 -0.328 . . . . 33.44 110.35 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.48 -41.8 69.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 28.37 111.942 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 -7.09 82.28 Favored Glycine 0 CA--C 1.52 0.392 0 CA-C-N 116.012 -0.54 . . . . 15.0 114.228 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -93.87 173.28 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.611 0.706 . . . . 25.5 110.661 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.9 p -104.69 168.88 8.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 11.95 111.129 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.6 mt -66.3 -31.58 72.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 10.17 110.597 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -18.51 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.543 . . . . 13.59 111.431 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.7 m-20 -61.91 -35.82 79.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.95 0.405 . . . . 11.7 111.225 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -107.82 15.17 24.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 12.95 111.358 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 t30 56.86 43.16 25.38 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.774 -0.648 . . . . 25.45 111.41 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -79.28 116.34 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.697 -0.483 . . . . 14.6 109.697 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -92.95 -177.64 4.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 33.23 111.322 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -79.65 159.58 26.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.648 . . . . 25.97 109.936 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.5 8.06 2.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.84 0.456 . . . . 32.61 112.228 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.1 m -80.46 144.18 32.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.857 -0.423 . . . . 10.56 109.857 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -104.36 106.81 17.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.018 0.437 . . . . 5.33 111.724 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.92 142.45 40.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.795 -0.639 . . . . 11.66 109.521 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -91.12 106.8 18.77 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.556 -0.535 . . . . 16.3 109.556 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' B' ' 7' ' ' THR . 47.6 tp -92.27 106.63 18.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 9.96 111.085 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.515 HG13 HD11 ' B' ' 8' ' ' LEU . 1.9 t . . . . . 0 C--N 1.318 -0.796 0 N-CA-C 108.454 -0.943 . . . . 9.76 108.454 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.413 ' O ' HG13 ' A' ' 56' ' ' ILE . 42.5 p . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.464 0.65 . . . . 13.75 110.349 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -141.76 144.95 24.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.027 -0.988 . . . . 14.12 109.242 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m -155.92 159.35 39.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.451 -0.203 . . . . 14.51 110.451 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -131.3 167.76 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 16.01 110.548 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 16.67 111.935 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.746 0.307 . . . . 40.81 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -109.39 143.87 38.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.261 0.553 . . . . 18.23 110.7 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -91.23 132.0 36.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.672 -0.695 . . . . 26.25 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.7 146.46 16.37 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.925 -0.87 . . . . 14.96 110.925 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 ttp -144.6 129.51 18.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.107 0.454 . . . . 21.59 110.583 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.13 124.9 73.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.83 -0.623 . . . . 12.92 110.262 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.484 HD13 HG21 ' B' ' 70' ' ' VAL . 1.9 mt -90.7 115.96 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.286 -0.635 . . . . 12.18 109.286 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.674 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -46.82 125.85 9.47 Favored Glycine 0 CA--C 1.522 0.494 0 O-C-N 123.867 0.729 . . . . 13.21 114.256 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 23.7 Cg_exo -65.55 138.66 55.44 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.989 2.46 . . . . 14.44 112.5 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 24.7 Cg_exo -63.82 160.6 36.26 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.551 2.168 . . . . 17.43 112.403 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 67.42 18.79 10.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.581 -0.736 . . . . 32.61 111.952 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 177.56 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 17.94 110.108 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -73.58 -13.65 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 18.91 110.323 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.674 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 55.6 m-85 -95.27 -2.49 49.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 16.86 110.707 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.17 132.2 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.644 0.609 . . . . 37.17 112.644 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 t30 63.99 22.29 12.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.08 -0.964 . . . . 30.81 112.152 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -111.44 125.21 53.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.921 0.391 . . . . 25.62 110.845 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -92.94 109.75 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.15 -0.477 . . . . 19.36 109.942 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.477 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 57.4 m-85 -101.0 121.51 41.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.223 -0.444 . . . . 12.92 111.056 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -90.8 134.6 34.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.679 -0.691 . . . . 13.09 109.901 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD21 ' CZ ' ' A' ' 87' ' ' PHE . 6.1 mp -126.9 160.18 31.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.121 0.486 . . . . 13.47 111.164 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.06 122.65 27.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.465 -0.789 . . . . 33.44 109.034 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.54 123.35 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.983 0.421 . . . . 19.18 110.81 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.19 122.4 46.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.092 -0.504 . . . . 42.22 109.967 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 50.5 m -89.34 138.54 31.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.924 -0.58 . . . . 25.59 110.582 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.13 178.52 46.48 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.808 -0.711 . . . . 26.42 112.266 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.19 -5.88 17.94 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.827 2.351 . . . . 31.44 113.264 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -109.87 14.99 22.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 44.64 110.66 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.7 t80 -72.93 141.87 82.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.394 -0.595 . . . . 29.6 109.394 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 83.6 Cg_endo -97.0 25.52 21.12 Favored 'Cis proline' 0 C--N 1.347 0.491 0 C-N-CA 124.45 -1.063 . . . . 27.94 113.554 0.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -75.58 -30.42 59.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.288 0.566 . . . . 36.76 109.83 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.91 149.25 40.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 30.58 110.372 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.72 134.34 37.48 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.7 2.267 . . . . 28.58 112.348 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 159.92 32.92 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.687 2.258 . . . . 20.75 112.249 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 115.88 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.119 -0.491 . . . . 29.16 110.453 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG21 HG11 ' A' ' 123' ' ' VAL . 39.0 t -115.17 138.58 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 20.48 110.984 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -151.12 154.83 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 41.41 110.271 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 34.7 m-85 -99.73 143.28 30.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 16.6 110.279 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.4 t -93.23 -48.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.197 0.522 . . . . 18.03 109.788 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 145.53 36.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.712 -0.676 . . . . 15.79 110.184 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 83.3 mttt -66.43 118.53 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 35.04 110.749 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.477 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.5 tt -136.37 136.69 48.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.523 -0.762 . . . . 14.88 110.768 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -101.46 92.72 5.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.937 -0.764 . . . . 14.21 108.937 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.9 ttt -132.33 138.75 47.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.495 -0.775 . . . . 15.6 110.169 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.05 100.55 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 27.45 110.85 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.14 -7.52 6.03 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.12 -0.562 . . . . 23.3 112.205 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.39 132.53 63.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 22.53 110.384 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.83 139.92 57.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 26.32 110.717 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -84.77 -3.95 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.176 0.806 . . . . 22.69 113.176 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 -54.8 2.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.675 -0.41 . . . . 31.16 111.411 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 p -90.96 -30.21 16.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 30.09 111.537 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.43 13.57 65.31 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.609 -0.805 . . . . 25.64 111.661 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.2 mtp -74.91 144.81 43.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.229 -0.285 . . . . 38.85 110.229 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -96.57 133.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 25.28 110.79 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.603 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 14.4 t0 -77.49 124.07 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.624 -0.51 . . . . 34.12 109.624 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.22 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.732 0.641 . . . . 29.16 112.732 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.607 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 26.1 ptt-85 -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.84 -0.344 . . . . 52.63 111.733 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -90.01 -16.7 29.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 34.05 110.43 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.452 HG22 HG22 ' A' ' 110' ' ' VAL . 27.7 mm -110.8 118.89 47.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 26.63 109.941 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.42 -45.27 27.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.535 2.823 . . . . 26.05 114.359 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 108' ' ' ILE . 30.0 m -70.41 -17.13 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 112.695 0.628 . . . . 25.84 112.695 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.03 -44.85 6.81 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 23.97 109.822 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.607 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -62.56 -40.26 96.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 28.65 109.763 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 50.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.371 -0.831 . . . . 39.1 108.974 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -58.88 135.25 57.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.297 -0.865 . . . . 29.08 111.997 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -115.85 143.14 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.101 -0.954 . . . . 45.36 108.889 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -72.99 -0.49 13.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 37.64 110.704 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.97 6.99 46.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 26.71 110.126 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -100.28 178.71 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 23.06 110.797 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.2 p -154.49 -179.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 17.53 110.413 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.69 -39.85 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 14.03 110.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.68 -41.61 86.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.755 -0.657 . . . . 24.78 110.694 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.87 -44.45 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.597 . . . . 17.36 110.705 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.456 HG11 HG21 ' A' ' 85' ' ' VAL . 22.0 t -63.73 -46.26 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.564 . . . . 14.42 110.492 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.77 -43.34 90.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.152 -0.476 . . . . 11.53 110.591 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -64.36 -41.28 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 16.85 110.787 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.94 -42.92 89.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 97.3 mt -59.86 -45.37 92.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 14.04 110.303 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -67.11 -30.71 70.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 10.15 110.6 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -66.83 -42.57 85.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.17 -11.38 60.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.668 -0.696 . . . . 17.72 111.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.6 mtt -79.49 -19.99 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.266 0.555 . . . . 18.11 109.603 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.2 mtm -95.68 1.46 53.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.825 -0.625 . . . . 22.93 109.89 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.411 ' HB3' ' OE1' ' A' ' 135' ' ' GLU . 49.4 m -70.58 147.34 49.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.784 -0.644 . . . . 25.92 110.314 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -54.2 -34.63 61.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 29.78 112.401 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 133' ' ' SER . 4.5 pm0 -84.83 8.02 18.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.866 0.691 . . . . 28.22 112.866 -178.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -136.22 -41.6 0.65 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.354 0.502 . . . . 18.41 112.354 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 22.1 ptm -52.85 -25.68 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.959 1.096 . . . . 20.97 113.959 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -114.86 17.41 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.03 0.377 . . . . 35.29 112.014 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.1 mt -77.69 128.83 78.49 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.87 -0.332 . . . . 15.71 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.87 124.79 16.75 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.638 2.225 . . . . 19.11 111.464 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -99.99 141.71 23.27 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.288 -0.415 . . . . 20.51 111.1 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.64 164.76 34.67 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.496 2.131 . . . . 26.0 110.987 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -43.91 118.41 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.171 2.581 . . . . 30.09 112.895 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -60.64 138.83 58.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.74 . . . . 46.96 111.1 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 105.21 -24.62 27.33 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.61 . . . . 36.35 112.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -74.66 134.43 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.341 . . . . 36.19 110.282 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.8 p -114.22 161.64 17.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.301 -0.409 . . . . 36.38 110.817 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 50.6 m-85 -78.62 -10.1 59.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.521 . . . . 44.37 110.261 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -146.94 140.2 25.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.649 -0.705 . . . . 53.87 109.788 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.052 -0.975 . . . . 55.71 110.61 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.1 ptt? . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.877 0.37 . . . . 17.17 110.219 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -86.05 121.32 28.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 21.89 111.835 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -121.25 171.62 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.978 -0.749 . . . . 10.83 108.978 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 66' ' ' THR . 88.5 m-85 -129.75 132.82 46.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.975 -0.29 . . . . 10.61 110.618 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.436 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 24.2 t -112.01 115.57 50.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.623 -0.51 . . . . 9.13 109.623 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 82.4 tttt -107.19 115.91 31.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.154 -0.476 . . . . 20.55 110.543 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -80.91 173.96 12.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.244 -0.435 . . . . 11.78 110.331 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.61 HD11 HG13 ' B' ' 70' ' ' VAL . 16.8 mt -68.18 -12.51 61.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 19.31 110.395 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.57 -7.42 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 23.14 110.619 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.34 81.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.957 -0.639 . . . . 19.74 111.573 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -86.32 110.44 19.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.774 0.321 . . . . 21.93 110.169 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 m -96.25 116.16 28.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.006 -0.543 . . . . 12.33 109.861 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.436 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 45.0 pt -105.39 151.31 7.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.611 -0.268 . . . . 17.08 110.629 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.24 140.15 30.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.961 -0.385 . . . . 16.3 109.961 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.42 143.62 31.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.311 . . . . 15.88 110.641 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -111.35 113.52 26.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.333 -0.394 . . . . 28.9 110.264 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -139.09 164.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.37 -0.377 . . . . 12.05 110.292 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 65.4 mm-40 -101.47 151.99 37.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.543 -0.54 . . . . 18.17 109.543 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.46 -26.75 55.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.696 2.264 . . . . 8.16 112.792 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -88.96 7.7 33.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 11.13 111.847 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.558 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -80.75 139.73 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 18.03 110.867 -179.671 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 147.96 31.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.081 -0.509 . . . . 10.22 110.46 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.28 -34.5 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.331 0.586 . . . . 12.3 110.331 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.96 -44.33 82.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.224 -0.898 . . . . 36.51 111.419 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.6 t30 -67.93 -36.17 79.68 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.784 0.326 . . . . 25.66 110.291 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.37 -43.47 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 8.12 109.727 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.0 -42.47 99.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.566 -0.743 . . . . 15.47 110.487 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 11.45 110.935 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 34.7 mtpt -66.46 -38.34 87.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 24.98 110.42 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.74 -39.32 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.457 . . . . 9.46 109.774 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.01 -32.65 74.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 14.76 110.872 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.03 -34.93 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.199 -0.455 . . . . 26.29 111.981 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -99.79 -48.94 4.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.912 0.708 . . . . 30.06 112.912 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -82.53 -39.06 22.89 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.058 -0.257 . . . . 25.19 111.598 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.81 38.56 5.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 7.41 112.744 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -111.84 122.33 37.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.118 -0.327 . . . . 9.49 110.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 49.2 Cg_exo -55.17 132.41 52.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.753 2.302 . . . . 11.42 112.149 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 49.2 Cg_exo -57.13 -32.19 92.64 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.9 2.4 . . . . 12.0 112.166 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -32.07 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 35.55 110.9 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -95.75 13.68 25.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.131 -0.486 . . . . 20.52 110.358 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 61.1 mt-30 -104.8 113.74 27.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 7.13 111.024 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -119.5 97.13 5.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.612 -0.885 . . . . 36.39 108.612 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 50' ' ' LEU . 18.4 mt -78.93 129.0 34.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.952 -0.567 . . . . 9.55 111.869 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -122.73 130.22 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 13.9 109.481 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.637 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.2 t80 -152.51 139.8 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 6.86 111.008 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 28.02 13.85 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.701 -0.681 . . . . 11.15 112.317 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.06 25.57 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.799 -0.715 . . . . 13.93 112.826 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -142.21 151.88 42.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.677 0.275 . . . . 0.0 110.265 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -80.46 132.52 35.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 23.23 110.39 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' B' ' 43' ' ' LEU . 34.2 mt -85.17 93.89 8.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.165 0.507 . . . . 9.11 110.119 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.97 142.94 52.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.263 -0.88 . . . . 33.44 111.713 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -47.85 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 28.37 111.906 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 42.86 2.94 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.174 -0.536 . . . . 15.0 113.797 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.9 mmp_? -136.54 162.23 33.67 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.81 -0.441 . . . . 25.5 109.81 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.9 p -105.77 174.99 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.583 0.23 . . . . 11.95 110.464 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.41 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 58.2 mt -68.28 -30.68 69.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 10.17 110.919 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -25.09 66.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.042 -0.527 . . . . 13.59 111.639 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.487 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 5.6 m-20 -62.73 -29.33 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 11.7 111.826 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -117.55 14.35 14.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.386 -0.37 . . . . 12.95 111.064 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 55.34 46.15 24.05 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.557 0.694 . . . . 25.45 110.998 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 85.1 mt -84.61 106.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.795 -0.639 . . . . 14.6 109.972 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.54 -166.46 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.926 -0.579 . . . . 33.23 109.725 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -71.32 155.31 40.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.39 -0.226 . . . . 25.97 110.39 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 70.93 -8.65 0.93 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.382 0.673 . . . . 32.61 112.793 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.9 m -61.34 123.96 19.26 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.822 0.344 . . . . 10.56 110.672 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -88.86 93.3 9.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.939 -0.573 . . . . 5.33 111.404 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.63 139.66 45.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.23 -1.026 . . . . 11.66 108.23 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 97.3 m-70 -102.08 116.09 31.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.291 -0.564 . . . . 16.3 110.809 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.9 tp -92.46 106.48 18.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.643 -0.708 . . . . 9.96 110.438 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.61 HG13 HD11 ' B' ' 8' ' ' LEU . 47.0 t . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.535 -0.757 . . . . 9.76 109.467 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.564 HG22 HD22 ' B' ' 8' ' ' LEU . 81.6 p . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 111.897 0.332 . . . . 13.75 111.897 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.48 137.82 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 14.12 111.594 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -141.15 138.92 33.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 14.51 110.297 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 5.9 p90 -152.2 170.72 19.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.558 -0.534 . . . . 16.01 109.558 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 119.93 -1.128 . . . . 16.67 112.911 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 50' ' ' ARG . 20.9 mtm180 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.111 0.481 . . . . 40.81 110.785 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -108.14 138.68 44.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.796 -0.638 . . . . 18.23 110.56 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -99.43 122.31 42.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 26.25 109.947 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.52 142.32 17.51 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.603 -0.808 . . . . 14.96 111.705 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.3 ttp -131.98 125.8 32.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.781 0.324 . . . . 21.59 110.258 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.95 122.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.099 0.476 . . . . 12.92 110.643 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.443 HG21 HG11 ' B' ' 70' ' ' VAL . 2.2 pt -87.53 128.12 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.791 -0.64 . . . . 12.18 109.443 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -56.65 129.91 49.49 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 116.114 -0.494 . . . . 13.21 113.343 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 26.3 Cg_exo -63.11 144.28 92.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.743 2.295 . . . . 14.44 112.081 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 23.8 Cg_exo -65.43 153.21 79.25 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.538 2.158 . . . . 17.43 112.31 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 69.0 24.24 6.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.52 -0.764 . . . . 32.61 112.251 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.744 -0.465 . . . . 17.94 109.744 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -77.76 -0.41 26.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 18.91 110.189 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.615 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 9.6 m-85 -113.14 16.48 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 16.86 110.883 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -57.9 119.98 7.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.891 0.377 . . . . 37.17 111.675 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 t30 69.98 15.11 7.81 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.104 -0.953 . . . . 30.81 111.851 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -91.59 145.83 24.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.968 -0.382 . . . . 25.62 109.968 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -118.91 110.51 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 19.36 109.828 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.435 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 51.2 m-85 -102.7 130.94 49.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.91 0.386 . . . . 12.92 111.011 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.47 136.15 38.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.663 -0.699 . . . . 13.09 110.45 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.08 149.8 50.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.519 . . . . 13.47 111.066 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -116.85 114.9 24.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 33.44 109.36 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.48 117.06 54.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.803 0.335 . . . . 19.18 110.266 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.44 114.27 27.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.038 -0.528 . . . . 42.22 110.276 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -80.85 106.53 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.862 -0.608 . . . . 25.59 110.946 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.87 170.11 33.49 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.812 -0.631 . . . . 26.42 112.812 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.42 -25.37 80.28 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.201 2.6 . . . . 31.44 113.163 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.61 7.6 38.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.612 -0.267 . . . . 44.64 111.468 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 85.0 t80 -71.73 140.79 84.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.287 -0.634 . . . . 29.6 109.287 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . 87.0 Cg_endo -98.05 21.86 24.92 Favored 'Cis proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.549 -1.021 . . . . 27.94 113.116 0.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -71.13 -29.26 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.107 0.48 . . . . 36.76 110.094 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.7 154.8 57.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 30.58 109.985 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.91 132.39 28.16 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.692 2.261 . . . . 28.58 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.57 170.96 18.92 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.912 2.408 . . . . 20.75 112.428 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.41 114.52 21.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 29.16 110.395 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.5 t -119.05 133.31 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.398 -0.364 . . . . 20.48 110.567 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -152.59 154.37 35.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 41.41 110.536 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.46 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.124 -0.489 . . . . 16.6 110.431 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.19 -41.84 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.215 0.531 . . . . 18.03 109.695 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 143.51 29.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.621 -0.718 . . . . 15.79 110.167 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 94.1 mttt -67.81 117.52 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 35.04 110.773 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.435 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 6.8 tt -136.56 130.65 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.569 . . . . 14.88 111.057 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -88.88 91.86 8.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.133 -0.691 . . . . 14.21 109.133 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.7 ttt -129.8 147.2 51.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.894 -0.594 . . . . 15.6 110.391 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.23 105.07 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 27.45 111.039 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.21 -4.75 13.64 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.675 -0.774 . . . . 23.3 112.443 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.28 125.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.991 -0.374 . . . . 22.53 109.991 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.17 129.01 38.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 26.32 110.216 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -78.96 -5.94 55.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.997 0.74 . . . . 22.69 112.997 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -98.74 -57.81 2.1 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.9 -0.32 . . . . 31.16 111.677 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -93.86 -24.43 17.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.845 0.313 . . . . 30.09 111.845 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.34 63.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.668 -0.777 . . . . 25.64 112.04 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 82.3 mtp -75.92 140.85 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.863 0.363 . . . . 38.85 110.914 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.31 125.46 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 25.28 110.389 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.518 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 47.6 t0 -75.0 117.69 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 34.12 110.218 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.15 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 29.16 112.641 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 28.6 ptt-85 -78.07 -4.37 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.647 -0.421 . . . . 52.63 111.707 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -101.56 -4.02 27.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.518 . . . . 34.05 110.27 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.83 117.07 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.145 -0.687 . . . . 26.63 109.145 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.67 -49.42 13.52 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.316 2.678 . . . . 26.05 114.252 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.411 HG22 ' HG2' ' A' ' 126' ' ' GLU . 32.9 m -68.89 -18.15 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.673 0.62 . . . . 25.84 112.673 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -94.64 -36.27 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.945 0.402 . . . . 23.97 110.035 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.78 73.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 28.65 109.868 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -110.76 45.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.637 -0.711 . . . . 39.1 109.405 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.24 137.07 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.12 -0.946 . . . . 29.08 111.739 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -121.43 154.53 36.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.437 -0.801 . . . . 45.36 109.389 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -65.87 -15.03 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.166 0.508 . . . . 37.64 110.7 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 2.27 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.631 . . . . 26.71 111.056 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -91.04 169.15 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.897 0.38 . . . . 23.06 110.59 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 p -153.09 -176.62 5.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.942 -0.572 . . . . 17.53 110.436 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.09 -44.51 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.257 0.551 . . . . 14.03 110.532 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.409 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 17.2 ttpt -60.43 -40.1 89.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.279 -0.873 . . . . 24.78 111.612 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.67 -43.16 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 17.36 110.861 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.29 -47.06 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 14.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.73 -44.31 90.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 11.53 111.407 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.6 -40.39 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 16.85 110.715 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 129' ' ' ARG . 7.1 tp10 -65.92 -45.08 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 30.3 110.709 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.38 -45.45 91.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 14.04 111.081 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.6 ttt180 -66.26 -30.09 70.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 10.15 110.443 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 126' ' ' GLU . 68.5 ttp85 -68.92 -41.56 77.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.519 . . . . 27.05 109.6 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.3 -19.06 63.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 17.72 110.728 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 62.5 mtt -74.45 -25.14 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.658 -0.497 . . . . 18.11 109.658 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 51.2 mtm -85.95 -10.05 55.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 22.93 110.167 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.3 m -66.81 140.25 57.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.597 . . . . 25.92 110.022 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -54.3 -28.48 42.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.153 0.502 . . . . 29.78 111.858 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.71 -13.03 61.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 28.22 112.424 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -128.25 -36.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.116 0.413 . . . . 18.41 112.116 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.5 ptm -56.39 -26.65 53.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.834 0.679 . . . . 20.97 112.834 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -111.88 31.24 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 35.29 111.588 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.7 mt -99.06 126.15 39.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.492 -0.322 . . . . 15.71 110.351 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.5 129.16 33.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.67 2.247 . . . . 19.11 111.109 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -107.41 143.55 27.43 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.544 -0.298 . . . . 20.51 111.621 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.73 167.15 21.95 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.949 2.433 . . . . 26.0 111.312 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.97 127.38 3.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.34 2.694 . . . . 30.09 112.992 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -62.37 121.86 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.2 -0.909 . . . . 46.96 111.345 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.61 24.83 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.529 -0.843 . . . . 36.35 112.621 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.16 133.93 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.364 . . . . 36.19 110.865 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 p -118.02 154.96 31.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.259 -0.428 . . . . 36.38 110.61 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 61.6 m-85 -72.24 -16.54 61.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 44.37 110.532 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -140.55 162.24 35.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 53.87 109.52 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.214 -0.898 . . . . 55.71 110.532 -179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.772 0.32 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -96.18 129.8 43.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.129 0.49 . . . . 21.89 111.542 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -130.92 165.8 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.706 -0.679 . . . . 10.83 109.218 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' B' ' 66' ' ' THR . 93.2 m-85 -121.18 140.44 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.604 0.24 . . . . 10.61 110.615 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.435 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 38.3 t -116.99 118.51 59.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.65 -0.5 . . . . 9.13 109.65 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -111.29 123.58 50.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.423 -0.353 . . . . 20.55 110.705 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -80.39 -177.65 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.17 -0.468 . . . . 11.78 111.147 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.62 HD21 HG22 ' B' ' 70' ' ' VAL . 40.7 mt -79.42 -20.46 47.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.354 0.597 . . . . 19.31 110.078 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -37.99 61.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.549 -0.75 . . . . 23.14 110.175 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.7 2.73 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.598 -0.728 . . . . 19.74 111.64 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -51.12 132.73 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.042 0.537 . . . . 21.93 111.79 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.8 m -123.49 123.36 40.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 12.33 109.969 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.435 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 30.7 pt -111.74 155.95 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 17.08 111.351 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 132.17 41.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.864 -0.607 . . . . 16.3 109.754 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -130.57 137.43 49.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.926 0.393 . . . . 15.88 110.628 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -113.06 106.54 14.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.9 -0.591 . . . . 28.9 109.761 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 1' ' ' MET . 6.6 m -139.15 164.43 25.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.088 -0.506 . . . . 12.05 110.335 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 79.5 mm-40 -98.93 154.8 37.18 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.262 -0.644 . . . . 18.17 109.262 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -24.67 75.03 Favored 'Trans proline' 0 N--CA 1.473 0.286 0 C-N-CA 122.294 1.996 . . . . 8.16 112.169 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 1.96 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 11.13 111.37 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -75.2 150.44 38.65 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.963 0.411 . . . . 18.03 111.16 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -92.36 149.6 21.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.794 -0.639 . . . . 10.22 110.195 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -57.97 -32.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 12.3 110.352 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.25 -43.18 99.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 36.51 110.337 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -72.42 -32.32 66.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 25.66 110.043 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 22' ' ' THR . 70.7 t -60.52 -45.28 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 8.12 109.662 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.18 -33.23 75.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.606 -0.725 . . . . 15.47 110.411 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.92 94.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.657 -0.702 . . . . 11.45 110.458 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 60.9 mttt -68.84 -35.5 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.03 -0.532 . . . . 24.98 110.18 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.1 -45.27 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.84 -0.43 . . . . 9.46 109.84 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.48 -33.01 74.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.253 0.549 . . . . 14.76 110.347 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.33 -22.97 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.356 -0.838 . . . . 26.29 112.489 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 14.0 ptpt -119.07 -39.47 2.92 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.962 0.727 . . . . 30.06 112.962 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -29.27 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.836 0.31 . . . . 25.19 111.836 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 12.04 69.84 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.462 -0.875 . . . . 7.41 112.942 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.75 121.37 64.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.268 -0.271 . . . . 9.49 110.268 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 33.9 Cg_exo -60.17 133.35 49.35 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.8 2.334 . . . . 11.42 112.527 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.7 Cg_exo -57.53 -19.14 35.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.065 2.51 . . . . 12.0 112.509 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.03 -43.3 73.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.729 -0.669 . . . . 35.55 111.98 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -104.02 14.68 30.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.346 -0.388 . . . . 20.52 111.501 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -91.01 127.66 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.534 -0.303 . . . . 7.13 110.696 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.636 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.7 ttp180 -137.79 111.03 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.973 -0.751 . . . . 36.39 108.973 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -94.03 131.65 39.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 9.55 111.481 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.18 131.07 70.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.514 -0.766 . . . . 13.9 109.416 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.613 ' HB3' HD21 ' B' ' 50' ' ' LEU . 62.9 t80 -139.55 126.36 20.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.722 -0.217 . . . . 6.86 111.162 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.66 29.92 14.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.807 -0.633 . . . . 11.15 112.545 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.97 8.77 85.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.756 -0.735 . . . . 13.93 112.735 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -119.58 144.06 47.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -86.74 134.96 33.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.172 -0.467 . . . . 23.23 110.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.6 mt -91.2 115.52 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.459 -0.337 . . . . 9.11 110.92 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.82 140.94 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 33.44 110.383 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.54 -44.05 76.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.981 0.734 . . . . 28.37 112.981 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.61 -6.58 86.92 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.73 -0.748 . . . . 15.0 113.858 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -92.01 167.31 12.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.241 0.521 . . . . 25.5 110.902 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.1 p -104.14 174.38 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.868 -0.605 . . . . 11.95 110.992 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' B' ' 61' ' ' ILE . 87.6 mt -67.69 -38.14 83.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 10.17 110.616 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -22.56 65.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.911 -0.586 . . . . 13.59 111.562 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.18 -25.62 68.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.942 0.401 . . . . 11.7 111.678 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -116.38 15.75 15.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.339 -0.391 . . . . 12.95 111.079 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 60.16 39.22 19.65 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.677 0.611 . . . . 25.45 111.141 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' B' ' 56' ' ' LEU . 79.6 mt -78.89 121.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.914 -0.402 . . . . 14.6 109.914 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -105.4 174.24 5.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.579 . . . . 33.23 110.337 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 13.3 pttp -75.43 162.79 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.699 -0.482 . . . . 25.97 109.699 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.6 mp0 70.49 2.16 3.95 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.463 0.477 . . . . 32.61 111.593 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -81.75 158.53 24.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.662 0.268 . . . . 10.56 110.4 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.1 m -119.59 104.19 10.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.508 . . . . 5.33 110.749 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.77 141.03 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.767 -0.651 . . . . 11.66 109.375 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -96.64 121.97 39.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.84 0.352 . . . . 16.3 110.653 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.49 92.76 9.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.326 0.584 . . . . 9.96 110.269 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.397 -0.82 . . . . 9.76 109.438 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.127 0.489 . . . . 13.75 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -76.99 152.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.874 -0.603 . . . . 14.12 111.028 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -155.05 153.74 31.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 14.51 109.614 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.401 ' HB3' HD11 ' A' ' 124' ' ' LEU . 21.2 p90 -143.32 170.16 16.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 16.01 110.174 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 C-N-CA 120.731 -0.747 . . . . 16.67 112.195 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.071 0.463 . . . . 40.81 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -111.51 142.45 43.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 18.23 110.022 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.33 132.85 53.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 26.25 109.244 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.02 18.16 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.227 -0.749 . . . . 14.96 111.227 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.5 ttp -133.31 129.97 38.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.113 0.482 . . . . 21.59 111.053 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -125.56 118.49 52.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.531 -0.758 . . . . 12.92 110.116 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 129.71 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.009 -0.541 . . . . 12.18 109.632 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.707 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.82 125.31 34.85 Favored Glycine 0 N--CA 1.446 -0.683 0 O-C-N 123.649 0.593 . . . . 13.21 112.631 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 27.4 Cg_exo -61.94 142.6 93.56 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.773 2.316 . . . . 14.44 112.289 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 34.1 Cg_exo -61.77 150.66 84.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.326 2.017 . . . . 17.43 111.939 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 73.28 -4.73 2.12 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.765 0.654 . . . . 32.61 112.765 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -100.21 175.53 5.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.971 -0.381 . . . . 17.94 109.971 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.81 -4.14 38.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.853 0.358 . . . . 18.91 111.009 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.707 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -103.42 4.55 36.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 16.86 109.928 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 40.9 tt0 -49.32 124.46 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.734 0.642 . . . . 37.17 112.734 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 27.1 m120 76.89 -5.83 2.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.917 -1.038 . . . . 30.81 113.315 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.33 136.15 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 25.62 111.287 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.2 mt -104.5 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.008 -0.738 . . . . 19.36 109.008 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.686 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 29.1 m-85 -96.54 136.35 37.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.992 -0.549 . . . . 12.92 111.746 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 147.47 38.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.472 -0.786 . . . . 13.09 110.08 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 151.1 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 13.47 110.954 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -104.06 115.53 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.648 -0.871 . . . . 33.44 108.648 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.24 125.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 19.18 110.742 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -120.27 111.1 17.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.001 -0.545 . . . . 42.22 110.54 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.21 117.07 21.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 25.59 110.054 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.1 173.86 52.34 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.118 -0.563 . . . . 26.42 112.979 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.51 -16.57 55.45 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.224 2.616 . . . . 31.44 112.972 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 72.5 mttt -100.06 13.73 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.627 -0.261 . . . . 44.64 111.436 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.501 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 36.5 t80 -72.31 140.5 82.48 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.876 -0.416 . . . . 29.6 109.876 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.501 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -98.23 19.61 27.02 Favored 'Cis proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.728 -0.947 . . . . 27.94 113.104 0.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -67.35 -37.92 84.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.161 0.505 . . . . 36.76 110.178 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 77' ' ' LYS . . . -108.66 149.29 39.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.531 -0.759 . . . . 30.58 110.443 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.49 135.08 44.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.667 2.245 . . . . 28.58 112.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.94 158.89 27.45 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.972 2.448 . . . . 20.75 112.54 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.77 116.53 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 29.16 110.28 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -121.1 132.56 70.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 20.48 110.707 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -144.66 146.32 32.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 41.41 110.159 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.95 144.59 29.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 16.6 111.059 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.24 -47.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 18.03 109.789 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.486 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -84.24 149.63 25.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.867 -0.606 . . . . 15.79 110.723 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 96.4 mttt -66.69 119.92 12.59 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.822 0.344 . . . . 35.04 111.347 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.686 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 15.3 tt -141.23 131.46 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 14.88 110.987 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -97.36 85.23 3.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.133 -0.692 . . . . 14.21 109.133 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.9 ttt -124.77 137.98 54.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.349 -0.842 . . . . 15.6 109.757 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -60.53 113.22 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 27.45 111.08 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.95 -10.8 20.73 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.656 . . . . 23.3 112.046 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -108.02 128.4 63.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.799 0.333 . . . . 22.53 110.513 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -72.03 132.06 43.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 26.32 109.839 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -86.42 6.82 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.217 0.821 . . . . 22.69 113.217 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -98.24 -62.48 1.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.084 -0.385 . . . . 31.16 110.715 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 -16.23 16.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 30.09 111.108 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.15 12.44 60.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.615 -0.802 . . . . 25.64 112.363 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtp -65.82 131.04 45.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 38.85 111.237 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.9 t -89.26 125.48 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.686 -0.486 . . . . 25.28 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.65 110.79 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.777 -0.453 . . . . 34.12 109.777 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.01 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.696 0.628 . . . . 29.16 112.696 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -71.57 -11.99 61.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.715 0.293 . . . . 52.63 111.641 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.0 m -95.52 -4.35 44.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.765 0.317 . . . . 34.05 111.027 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.87 120.78 33.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.843 -0.429 . . . . 26.63 109.843 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.18 -47.79 20.75 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.459 2.773 . . . . 26.05 114.162 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.2 m -74.21 -14.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.907 0.706 . . . . 25.84 112.907 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.05 -38.19 9.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.731 -0.387 . . . . 23.97 110.486 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -69.55 -44.43 70.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.272 0.558 . . . . 28.65 109.945 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.35 40.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.455 -0.793 . . . . 39.1 109.384 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -55.44 128.26 33.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.097 -0.956 . . . . 29.08 111.986 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -110.5 152.7 26.05 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.96 -1.018 . . . . 45.36 108.845 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -68.16 -8.36 37.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.179 0.514 . . . . 37.64 110.514 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -2.39 58.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 26.71 110.677 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -93.47 170.9 9.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.579 . . . . 23.06 110.421 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -159.43 -179.91 8.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.946 -0.57 . . . . 17.53 109.996 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.92 -34.67 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.17 0.509 . . . . 14.03 110.652 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.89 -49.3 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.381 -0.827 . . . . 24.78 110.997 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.4 -41.18 91.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 17.36 111.401 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.75 -52.87 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 14.42 111.778 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 38' ' ' TRP . 53.6 mt -61.03 -41.07 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 11.53 111.502 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -67.23 -41.14 86.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.524 -0.307 . . . . 16.85 111.163 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -64.75 -44.09 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.437 -0.347 . . . . 30.3 110.533 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -44.34 91.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 14.04 110.487 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -67.16 -33.43 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 10.15 110.558 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -66.25 -41.45 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.619 -0.512 . . . . 27.05 109.619 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.18 -15.75 62.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.743 -0.662 . . . . 17.72 110.721 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 57.5 mtt -78.75 -24.47 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.28 0.562 . . . . 18.11 109.506 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.2 mtt -85.09 -7.79 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.789 . . . . 22.93 109.883 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.7 m -69.58 144.48 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.725 . . . . 25.92 110.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.78 -39.15 62.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.62 0.6 . . . . 29.78 112.62 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -72.38 -1.81 16.95 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.122 0.786 . . . . 28.22 113.122 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -131.37 -42.7 1.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.441 0.534 . . . . 18.41 112.441 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.2 ptm -52.84 -25.3 11.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.878 1.066 . . . . 20.97 113.878 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -121.14 40.48 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.485 -0.486 . . . . 35.29 112.222 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 19.7 mt -100.33 137.02 19.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.941 -0.392 . . . . 15.71 109.941 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.11 118.7 5.63 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.642 2.228 . . . . 19.11 111.402 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -100.22 143.02 25.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 20.51 111.637 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.34 168.64 20.43 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.002 2.468 . . . . 26.0 111.4 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -44.99 123.11 4.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.133 2.555 . . . . 30.09 113.029 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -64.35 127.55 31.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.638 -0.71 . . . . 46.96 110.575 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 114.1 -23.45 12.76 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.372 -0.918 . . . . 36.35 112.799 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.6 141.08 39.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 36.19 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.3 p -116.76 164.61 14.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 36.38 111.643 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 47.1 m-85 -82.55 -6.05 59.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.521 . . . . 44.37 110.279 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -137.19 131.54 32.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 53.87 110.412 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 26.3 t30 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.243 -0.884 . . . . 55.71 111.286 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.966 -0.383 . . . . 17.17 109.966 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -109.2 129.03 55.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.898 0.38 . . . . 21.89 110.768 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -114.83 158.33 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 10.83 109.861 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.09 107.96 17.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.489 -0.323 . . . . 10.61 110.455 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.491 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 39.1 t -93.98 107.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.288 -0.634 . . . . 9.13 109.288 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 66.1 tttt -103.96 127.67 51.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.649 -0.705 . . . . 20.55 110.978 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 175.02 9.38 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.911 -0.586 . . . . 11.78 109.511 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 mt -78.93 -1.93 37.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 19.31 110.087 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -5.03 45.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.63 -0.714 . . . . 23.14 110.562 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 -4.43 64.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.863 -0.684 . . . . 19.74 112.848 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -76.02 128.04 34.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.056 -0.35 . . . . 21.93 110.056 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -119.31 109.32 15.66 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.857 0.36 . . . . 12.33 110.985 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.491 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.7 pt -100.63 143.21 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.94 -0.573 . . . . 17.08 110.717 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.76 136.52 36.06 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.164 -0.471 . . . . 16.3 110.25 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tp -132.86 135.26 45.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.387 -0.369 . . . . 15.88 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.17 105.12 15.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.182 -0.463 . . . . 28.9 109.858 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -138.77 176.34 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.528 -0.306 . . . . 12.05 110.932 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 75.8 mm-40 -115.15 153.58 47.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.091 -0.707 . . . . 18.17 109.091 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.7 Cg_exo -55.79 -25.87 54.08 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 122.609 2.206 . . . . 8.16 113.386 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -10.93 59.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 11.13 111.49 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.6 m-20 -68.55 136.48 53.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 18.03 110.575 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.0 p -79.79 149.91 30.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.86 -0.609 . . . . 10.22 110.171 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -58.49 -35.22 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.229 0.537 . . . . 12.3 110.086 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.14 -37.68 88.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.755 . . . . 36.51 110.507 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -73.2 -35.81 66.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 25.66 109.719 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 22' ' ' THR . 79.8 t -61.08 -45.15 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 8.12 110.27 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.41 -36.0 79.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.47 110.951 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.22 90.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 11.45 110.324 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -71.48 -36.5 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.608 -0.723 . . . . 24.98 110.235 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.79 -41.35 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.06 -0.719 . . . . 9.46 109.06 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.51 -27.18 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 14.76 110.218 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.37 -39.66 89.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.987 -0.551 . . . . 26.29 111.84 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -101.35 -33.69 9.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.065 0.765 . . . . 30.06 113.065 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -98.02 -19.52 17.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.656 0.613 . . . . 25.19 112.656 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.71 19.33 79.94 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.524 -0.846 . . . . 7.41 113.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.27 118.04 68.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.752 -0.264 . . . . 9.49 110.719 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.5 Cg_exo -59.17 125.17 17.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.621 2.214 . . . . 11.42 112.225 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.7 Cg_exo -52.88 -25.12 26.39 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.52 2.814 . . . . 12.0 113.168 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.52 -37.05 67.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 35.55 111.361 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -110.09 45.61 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.444 0.64 . . . . 20.52 110.451 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -125.1 105.58 9.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 7.13 111.376 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.58 98.64 7.58 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.323 -0.621 . . . . 36.39 109.323 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.44 ' HB3' HD12 ' B' ' 50' ' ' LEU . 57.9 mt -80.24 118.83 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.818 -0.628 . . . . 9.55 111.364 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.66 128.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.433 -0.803 . . . . 13.9 110.322 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.489 ' CD2' HG12 ' B' ' 61' ' ' ILE . 73.6 t80 -145.92 132.44 19.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 6.86 110.312 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 25.78 12.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 11.15 111.538 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 13.65 80.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.836 -0.697 . . . . 13.93 112.811 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -125.17 150.31 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.872 0.368 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -90.35 125.85 35.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.803 -0.635 . . . . 23.23 109.675 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.0 mt -79.15 114.8 18.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 9.11 111.413 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.407 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 33.5 tt0 -74.0 137.42 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.166 -0.47 . . . . 33.44 110.503 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -48.01 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 28.37 112.661 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.22 23.65 3.22 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.991 -0.623 . . . . 15.0 114.475 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.407 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 5.2 mmt180 -123.22 170.96 9.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.628 0.714 . . . . 25.5 109.999 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -106.71 172.92 6.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.729 0.299 . . . . 11.95 110.652 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 18' ' ' GLU . 55.2 mt -67.46 -28.25 67.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.265 0.555 . . . . 10.17 110.002 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -20.92 61.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 13.59 111.8 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.29 -19.25 63.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.121 0.486 . . . . 11.7 111.376 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -120.32 11.21 11.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.165 -0.47 . . . . 12.95 110.259 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 55.58 45.09 25.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.262 -0.881 . . . . 25.45 111.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.489 HG12 ' CD2' ' B' ' 45' ' ' PHE . 62.2 mt -79.45 109.31 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.12 0.486 . . . . 14.6 109.734 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -85.34 -174.14 5.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 33.23 111.001 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -81.45 154.64 26.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 25.97 109.626 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 66.85 8.19 5.84 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.438 0.461 . . . . 32.61 111.893 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.9 m -75.12 150.69 38.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.924 -0.399 . . . . 10.56 109.924 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -108.46 110.75 22.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 5.33 112.101 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.5 mt -86.95 145.3 26.59 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.524 -0.917 . . . . 11.66 108.524 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 27.9 m-70 -113.35 119.25 37.02 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.872 -0.331 . . . . 16.3 110.218 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 tp -90.21 115.49 27.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.988 0.423 . . . . 9.96 111.456 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.681 -0.69 . . . . 9.76 109.933 179.399 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.547 HG22 HD22 ' B' ' 8' ' ' LEU . 46.6 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.23 0.538 . . . . 13.75 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -80.92 142.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 14.12 110.37 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -138.24 153.83 49.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.302 -0.408 . . . . 14.51 110.311 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -147.22 164.28 33.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.136 -0.32 . . . . 16.01 110.136 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 111.411 -0.676 . . . . 16.67 111.411 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 121.223 0.535 . . . . 40.81 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -125.87 136.1 52.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 18.23 109.812 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -89.7 129.45 36.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.738 0.304 . . . . 26.25 110.577 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.25 154.66 16.81 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.789 -0.924 . . . . 14.96 110.789 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.2 ttp -147.2 129.78 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.172 0.486 . . . . 21.59 110.693 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.1 mt -127.29 123.74 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.957 -0.565 . . . . 12.92 110.571 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 pt -86.33 126.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.473 -0.566 . . . . 12.18 109.473 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.631 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -61.54 127.0 40.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 13.21 112.408 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.7 Cg_exo -59.98 144.4 99.47 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.793 2.329 . . . . 14.44 112.288 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 20.5 Cg_exo -64.99 156.93 59.8 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.532 2.155 . . . . 17.43 112.391 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 65.89 21.14 11.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.364 -0.834 . . . . 32.61 112.451 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -125.13 179.89 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.1 -0.704 . . . . 17.94 109.1 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.07 -11.97 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 18.91 110.337 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.631 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 33.6 m-85 -103.17 8.78 38.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 16.86 110.142 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.11 129.41 30.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.916 0.71 . . . . 37.17 112.916 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t30 59.32 31.71 21.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.022 -0.99 . . . . 30.81 112.279 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -115.7 120.4 39.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.926 0.393 . . . . 25.62 110.95 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.1 mt -89.68 106.26 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.841 -0.618 . . . . 19.36 109.517 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 45.4 m-85 -99.71 126.57 45.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 12.92 111.378 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.64 142.01 28.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 13.09 110.351 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.67 159.64 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.067 0.46 . . . . 13.47 111.091 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.59 117.65 24.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.637 -0.711 . . . . 33.44 109.171 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -114.26 125.67 71.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 19.18 110.496 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' CD ' HH22 ' A' ' 86' ' ' ARG . 67.3 mt-10 -114.19 110.06 19.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.932 0.396 . . . . 42.22 110.823 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.0 109.98 16.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.722 -0.672 . . . . 25.59 110.14 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.09 173.76 38.43 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 26.42 112.94 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.67 -13.58 37.59 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 123.182 2.588 . . . . 31.44 112.428 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.37 -4.76 53.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 44.64 111.487 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -58.18 137.66 84.48 Favored Pre-proline 0 N--CA 1.466 0.347 0 N-CA-C 110.198 -0.297 . . . . 29.6 110.198 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -98.52 22.56 23.28 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 124.634 -0.986 . . . . 27.94 113.425 -0.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.66 -37.56 70.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.837 0.351 . . . . 36.76 110.842 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.73 146.36 34.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 30.58 110.822 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.75 130.8 30.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.876 2.384 . . . . 28.58 112.242 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.91 160.22 43.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 20.75 112.201 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.74 124.24 27.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.791 -0.448 . . . . 29.16 109.791 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.59 133.79 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 20.48 111.164 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.401 HH22 ' CD ' ' A' ' 73' ' ' GLU . 32.0 ptt-85 -150.44 150.08 30.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.116 -0.493 . . . . 41.41 109.953 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -90.92 151.09 21.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 16.6 110.593 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.3 t -98.77 -49.88 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 18.03 109.468 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.71 142.34 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.829 -0.623 . . . . 15.79 109.596 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 87.2 mttt -66.0 115.65 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.162 0.506 . . . . 35.04 110.834 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.9 tt -133.62 138.83 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.497 -0.774 . . . . 14.88 110.466 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.12 98.63 9.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.026 -0.731 . . . . 14.21 109.026 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.9 ttt -139.49 135.03 33.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.595 -0.729 . . . . 15.6 109.86 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -57.78 110.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 27.45 111.474 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.58 -7.69 13.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.008 -0.615 . . . . 23.3 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 103' ' ' VAL . 2.0 mp -110.13 134.99 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.648 0.261 . . . . 22.53 110.472 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -73.26 144.58 46.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 26.32 110.621 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -87.21 -13.52 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.662 0.616 . . . . 22.69 112.662 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 m -101.08 -57.42 2.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.774 0.321 . . . . 31.16 111.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -84.41 -28.22 27.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.805 0.336 . . . . 30.09 111.149 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.95 7.66 88.34 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 25.64 111.584 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.9 mtp -71.26 146.17 49.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.703 0.287 . . . . 38.85 110.855 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 96' ' ' ILE . 42.2 t -95.18 126.2 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.002 -0.544 . . . . 25.28 110.349 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.57 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 41.3 t0 -74.69 117.96 17.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 34.12 110.16 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.643 -0.708 . . . . 29.16 112.751 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.57 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 24.5 ptt-85 -76.51 -7.4 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.584 -0.446 . . . . 52.63 111.539 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 m -104.33 0.65 29.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.93 0.395 . . . . 34.05 110.402 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 104' ' ' ASP . 34.7 mm -120.81 117.91 30.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 26.63 109.845 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 -46.12 28.25 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.423 2.749 . . . . 26.05 114.562 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.89 -18.53 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.584 0.587 . . . . 25.84 112.584 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.7 mt -95.28 -38.75 10.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.68 0.276 . . . . 23.97 110.493 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.94 79.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.46 0.647 . . . . 28.65 110.06 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -115.76 49.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.515 -0.766 . . . . 39.1 109.383 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -61.19 144.81 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.186 -0.915 . . . . 29.08 111.195 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.01 152.11 48.97 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.784 -0.821 . . . . 45.36 108.784 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -63.21 -18.5 63.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.653 0.263 . . . . 37.64 111.659 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.14 0.35 45.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.925 0.393 . . . . 26.71 111.563 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -90.11 161.93 15.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.406 -0.361 . . . . 23.06 110.279 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -150.82 179.34 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 17.53 110.002 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.98 -44.34 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.046 0.451 . . . . 14.03 110.71 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -56.35 -41.13 75.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.443 -0.798 . . . . 24.78 111.104 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.02 -42.52 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 17.36 110.844 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.94 -48.91 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 14.42 110.827 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.4 -41.28 93.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 11.53 111.156 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -65.08 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.349 . . . . 16.85 110.791 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.51 -46.43 69.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 30.3 110.634 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.83 -41.19 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 14.04 110.533 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -66.59 -37.21 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 10.15 110.159 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -63.91 -37.38 87.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.216 0.532 . . . . 27.05 109.762 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.75 -24.47 61.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 17.72 110.862 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.0 -27.42 65.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.289 0.566 . . . . 18.11 110.241 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.411 ' HG3' ' HG2' ' A' ' 58' ' ' PRO . 53.8 mtm -93.27 9.13 37.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 22.93 110.587 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t -80.78 151.27 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 25.92 109.75 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HA ' ' SD ' ' A' ' 137' ' ' MET . 52.3 tptt -52.24 -39.38 60.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.052 0.76 . . . . 29.78 113.052 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -79.49 -1.61 38.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.376 0.88 . . . . 28.22 113.376 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -128.09 -36.17 1.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.487 0.551 . . . . 18.41 112.487 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.484 ' SD ' ' HA ' ' A' ' 134' ' ' LYS . 15.6 ptm -52.32 -23.17 5.4 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.907 1.077 . . . . 20.97 113.907 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -122.63 24.33 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.757 -0.377 . . . . 35.29 111.884 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 139' ' ' LEU . 10.2 mt -79.12 130.88 68.02 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.166 -0.309 . . . . 15.71 110.166 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.06 117.66 4.39 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.724 2.283 . . . . 19.11 111.553 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -92.61 136.46 25.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 20.51 111.286 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.27 169.74 19.99 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.599 2.199 . . . . 26.0 111.111 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -47.54 130.37 18.03 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.776 2.317 . . . . 30.09 112.285 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.67 136.01 54.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.263 -0.881 . . . . 46.96 111.316 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 106.65 -26.8 18.61 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.722 -0.751 . . . . 36.35 112.904 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.57 136.34 56.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 36.19 110.699 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 p -121.33 159.64 25.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.384 -0.371 . . . . 36.38 110.578 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 69.2 m-85 -72.28 -19.53 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 44.37 110.365 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -124.08 140.08 53.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.55 -0.75 . . . . 53.87 109.291 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.323 -0.846 . . . . 55.71 111.349 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.158 -0.312 . . . . 17.17 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -88.89 118.65 28.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.163 -0.472 . . . . 21.89 110.894 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.3 pt -118.25 165.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.023 -0.732 . . . . 10.83 109.023 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.5 m-85 -124.77 131.43 53.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.746 0.307 . . . . 10.61 110.711 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.462 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 22.1 t -109.64 119.87 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.869 -0.789 . . . . 9.13 108.869 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 86.2 tttt -113.8 124.03 51.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.05 0.452 . . . . 20.55 111.09 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.499 HG23 HD23 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -83.49 169.01 15.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.649 -0.705 . . . . 11.78 110.262 179.101 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 35' ' ' THR . 18.6 mt -64.15 -21.02 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.91 0.386 . . . . 19.31 111.074 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -17.15 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 23.14 110.774 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -8.46 47.47 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.883 -0.599 . . . . 19.74 111.718 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 59.4 tttm -63.14 129.33 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 21.93 110.212 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -117.15 116.52 27.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.325 -0.398 . . . . 12.33 111.067 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.3 pt -110.77 153.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.983 0.42 . . . . 17.08 110.829 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 138.29 36.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.879 -0.6 . . . . 16.3 110.074 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 tp -138.55 137.74 37.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.862 0.363 . . . . 15.88 110.831 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -110.15 107.98 17.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 28.9 110.469 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' B' ' 1' ' ' MET . 1.6 m -140.24 165.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.685 -0.689 . . . . 12.05 109.896 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.6 mm-40 -103.86 157.08 34.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 18.17 109.398 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.19 -25.63 72.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.281 1.988 . . . . 8.16 111.977 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.42 -2.35 45.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.577 -0.738 . . . . 11.13 111.479 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 5.1 m-20 -83.74 139.7 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.469 . . . . 18.03 109.735 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 35.8 p -87.1 158.77 19.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.22 110.863 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -55.84 -37.04 45.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.189 0.519 . . . . 12.3 110.452 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.5 -45.02 89.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.495 -0.775 . . . . 36.51 110.797 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -70.27 -34.08 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.011 -0.54 . . . . 25.66 110.574 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 72.3 t -61.39 -43.99 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 8.12 109.95 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.4 -33.72 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.74 . . . . 15.47 111.038 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.8 97.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 11.45 110.85 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.8 -35.49 77.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 24.98 110.278 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.01 -41.15 84.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 9.46 109.943 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.87 -27.39 68.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 14.76 111.147 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.48 -42.73 74.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.178 -0.465 . . . . 26.29 112.025 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -95.49 -38.51 10.42 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.147 0.795 . . . . 30.06 113.147 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.73 -28.22 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.093 0.405 . . . . 25.19 112.093 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.38 7.02 88.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.387 -0.911 . . . . 7.41 112.566 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.49 120.41 75.42 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 122.975 -0.132 . . . . 9.49 110.742 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 41.0 Cg_exo -58.38 133.37 54.42 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.871 2.38 . . . . 11.42 112.088 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.4 Cg_exo -52.71 -27.41 33.62 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.473 2.782 . . . . 12.0 113.608 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.91 -35.59 81.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 35.55 110.844 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -89.34 5.11 46.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 20.52 110.612 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -100.06 141.36 32.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 7.13 110.731 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.0 ttp180 -155.57 112.86 3.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.582 -0.896 . . . . 36.39 108.582 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.76 133.37 36.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.343 0.592 . . . . 9.55 112.011 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' B' ' 49' ' ' GLN . 30.3 mm -118.78 129.32 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.18 -0.918 . . . . 13.9 109.263 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -153.68 147.76 25.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.571 0.224 . . . . 6.86 110.886 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 14.87 5.68 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.767 -0.651 . . . . 11.15 112.202 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.56 18.72 59.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.906 -0.664 . . . . 13.93 112.361 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.73 160.96 38.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.555 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.418 ' HA ' HD13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -84.77 133.3 34.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 23.23 110.174 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' B' ' 59' ' ' TYR . 11.7 mt -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.438 -0.346 . . . . 9.11 110.474 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.546 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.3 tt0 -69.35 137.71 53.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.748 -0.464 . . . . 33.44 109.748 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.3 m-20 -58.37 -31.0 67.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.185 0.809 . . . . 28.37 113.185 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.21 24.7 20.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.355 -0.926 . . . . 15.0 113.334 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 7.8 mmt180 -115.94 162.56 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.864 0.364 . . . . 25.5 110.569 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.1 OUTLIER -93.58 163.35 13.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 11.95 110.086 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.03 -36.51 83.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.096 0.474 . . . . 10.17 110.63 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -19.06 63.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.05 -0.523 . . . . 13.59 111.656 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.7 m-20 -65.33 -18.67 65.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.834 0.35 . . . . 11.7 111.386 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.442 ' CG ' HD22 ' B' ' 50' ' ' LEU . 91.5 m-85 -122.18 16.23 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.384 -0.371 . . . . 12.95 110.775 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 60.25 32.31 20.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.744 -0.662 . . . . 25.45 111.561 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.3 124.55 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 14.6 109.941 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -124.22 -170.2 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.253 -0.431 . . . . 33.23 110.843 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 ptmt -68.03 152.91 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 25.97 111.367 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.78 3.5 3.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.531 -0.759 . . . . 32.61 112.295 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 27.3 m -79.19 126.98 31.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 10.56 110.087 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -92.23 105.7 17.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.868 -0.605 . . . . 5.33 111.139 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -80.65 141.63 34.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 11.66 109.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.406 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 54.0 m170 -92.67 114.82 27.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.548 -0.296 . . . . 16.3 110.41 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.499 HD23 HG23 ' B' ' 7' ' ' THR . 34.9 tp -93.54 98.23 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.268 0.556 . . . . 9.96 110.198 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 43.7 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 9.76 110.222 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.479 HG22 HD22 ' B' ' 8' ' ' LEU . 54.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.757 0.313 . . . . 13.75 111.703 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.63 146.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.031 0.443 . . . . 14.12 111.855 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -146.22 140.68 26.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 14.51 109.882 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -135.15 169.81 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.543 -0.299 . . . . 16.01 110.817 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 110.948 -0.861 . . . . 16.67 110.948 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 . . . . . 0 C--O 1.237 0.409 0 CA-C-O 120.909 0.385 . . . . 40.81 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -120.18 153.87 35.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 18.23 110.428 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.6 m -100.83 130.44 46.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.062 -0.517 . . . . 26.25 110.523 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.55 124.38 6.1 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.124 -0.79 . . . . 14.96 111.124 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttp -112.89 128.17 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.194 0.497 . . . . 21.59 110.473 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.9 mt -125.63 124.56 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.104 -0.498 . . . . 12.92 110.599 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 pt -90.92 123.45 43.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.332 -0.618 . . . . 12.18 109.332 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.65 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.18 133.74 45.35 Favored Glycine 0 N--CA 1.449 -0.453 0 O-C-N 123.45 0.469 . . . . 13.21 112.984 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 42.6 Cg_endo -67.86 151.45 78.33 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.761 2.307 . . . . 14.44 112.268 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 21.4 Cg_exo -65.49 158.47 52.75 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.641 2.227 . . . . 17.43 113.134 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 60.55 27.8 17.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.258 -0.883 . . . . 32.61 112.514 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 59' ' ' PRO . 27.1 p -130.61 -179.17 5.13 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 110.118 -0.327 . . . . 17.94 110.118 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -81.32 -3.23 51.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 18.91 109.883 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.65 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 25.3 m-85 -108.39 -0.75 20.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 16.86 109.643 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.06 129.87 35.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.482 -0.781 . . . . 37.17 112.029 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 67.1 15.1 10.02 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.203 -0.908 . . . . 30.81 112.184 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.76 129.51 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 25.62 110.58 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.8 mt -102.0 113.58 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.963 -0.562 . . . . 19.36 109.552 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.6 m-85 -105.36 142.18 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 12.92 111.831 -178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.35 130.85 54.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.516 -0.765 . . . . 13.09 110.412 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.514 HD21 ' CZ ' ' A' ' 87' ' ' PHE . 6.0 mp -125.34 161.46 26.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 13.47 110.899 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.27 123.02 39.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 33.44 109.493 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.3 122.14 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.153 -0.476 . . . . 19.18 110.42 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.57 107.03 17.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.441 . . . . 42.22 111.117 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.0 m -83.47 103.22 12.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.748 -0.66 . . . . 25.59 109.577 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.54 174.61 17.96 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.9 -0.591 . . . . 26.42 113.087 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.42 -21.79 71.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.852 2.368 . . . . 31.44 112.291 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -91.53 2.81 56.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.568 -0.287 . . . . 44.64 111.551 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 87.6 t80 -58.74 136.44 86.72 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.891 -0.411 . . . . 29.6 109.891 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -99.3 21.27 23.02 Favored 'Cis proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.592 0.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.11 -33.3 71.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.147 0.499 . . . . 36.76 110.306 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.19 27.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 30.58 110.448 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.56 123.65 12.4 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.681 2.254 . . . . 28.58 112.385 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.33 152.2 71.51 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.899 2.399 . . . . 20.75 112.234 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 128.27 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 29.16 110.13 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.581 HG21 HG11 ' A' ' 123' ' ' VAL . 17.1 t -125.67 134.31 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 20.48 111.14 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -145.81 146.66 31.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 41.41 110.772 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 26.1 m-85 -88.92 138.97 30.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 16.6 110.111 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.9 t -93.64 -44.16 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.533 . . . . 18.03 109.654 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.526 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -81.46 148.24 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.492 -0.776 . . . . 15.79 110.249 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 84.4 mttt -66.46 121.71 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 35.04 111.517 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.723 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.2 tt -145.45 130.6 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 14.88 110.978 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.87 92.7 6.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.34 -0.615 . . . . 14.21 109.34 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.3 ttt -130.03 142.3 50.64 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.264 -0.88 . . . . 15.6 109.591 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.92 115.01 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 27.45 111.013 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.59 -10.68 30.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.982 -0.628 . . . . 23.3 111.985 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.51 126.51 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.286 -0.264 . . . . 22.53 110.286 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.35 133.52 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 26.32 110.31 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -82.75 -1.55 51.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.046 0.758 . . . . 22.69 113.046 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 m -113.13 -55.28 2.54 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.764 -0.374 . . . . 31.16 111.576 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 p -92.16 -25.27 18.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.414 -0.357 . . . . 30.09 111.38 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.83 8.81 75.62 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.554 -0.831 . . . . 25.64 111.788 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.6 mtp -68.9 133.78 48.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.825 0.345 . . . . 38.85 110.869 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.6 t -89.09 134.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.125 -0.488 . . . . 25.28 110.377 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.427 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 5.2 t0 -79.24 127.35 31.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 34.12 110.085 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.111 0.782 . . . . 29.16 113.111 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 32.8 ptt-85 -77.05 -9.62 58.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.383 -0.527 . . . . 52.63 111.663 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 m -85.7 -24.88 26.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 34.05 109.95 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.28 122.46 48.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 26.63 110.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 -48.55 20.91 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.971 2.447 . . . . 26.05 113.615 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 126' ' ' GLU . 23.1 m -69.0 -18.44 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.381 0.511 . . . . 25.84 112.381 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.39 -42.81 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.922 -0.399 . . . . 23.97 109.922 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -65.28 -42.81 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.454 -0.573 . . . . 28.65 109.454 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 62.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.94 -1.133 . . . . 39.1 107.94 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -74.71 133.69 42.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.132 -0.94 . . . . 29.08 111.814 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -118.54 149.0 42.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.916 -1.038 . . . . 45.36 108.204 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.82 -2.1 11.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 37.64 111.619 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.18 6.5 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 26.71 110.306 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -104.2 171.69 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 23.06 110.08 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 p -158.1 -173.24 4.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.463 -0.335 . . . . 17.53 110.459 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 30.5 mt -55.75 -41.33 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.319 0.581 . . . . 14.03 110.239 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 27.4 ttpt -57.33 -48.04 80.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.076 -0.965 . . . . 24.78 111.089 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.27 -41.99 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 17.36 110.976 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 85' ' ' VAL . 77.6 t -61.18 -47.75 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 14.42 110.808 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 120' ' ' ILE . 87.9 mt -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 11.53 111.196 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 95.6 mt-30 -65.6 -38.23 88.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.365 . . . . 16.85 110.714 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 110' ' ' VAL . 5.2 tp10 -66.25 -46.4 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 30.3 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 131' ' ' MET . 66.5 mt -56.98 -43.2 81.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 14.04 110.843 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 128' ' ' ARG . 26.8 ttt180 -67.99 -34.8 77.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 10.15 110.936 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.34 -41.64 96.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.079 0.466 . . . . 27.05 109.926 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.2 -15.47 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 17.72 110.965 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 61.2 mtt -79.76 -22.91 42.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.058 0.456 . . . . 18.11 109.94 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 77.7 mtm -86.94 -6.48 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 22.93 110.086 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.1 m -72.21 142.43 49.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.617 -0.719 . . . . 25.92 110.283 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.08 -30.76 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.531 0.567 . . . . 29.78 112.531 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -75.18 -5.02 42.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.439 0.533 . . . . 28.22 112.439 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.409 ' HA ' ' HG ' ' A' ' 139' ' ' LEU . 73.6 m-20 -130.13 -42.48 1.22 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.022 0.378 . . . . 18.41 112.022 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.9 ptm -54.66 -26.68 34.76 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.203 0.816 . . . . 20.97 113.203 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -112.1 28.91 8.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.136 0.421 . . . . 35.29 112.136 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 136' ' ' ASN . 30.8 mt -91.99 133.82 29.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.02 -0.272 . . . . 15.71 110.324 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.51 124.73 16.96 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.701 2.267 . . . . 19.11 111.209 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -102.26 146.11 31.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.267 0.469 . . . . 20.51 112.267 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.55 170.7 19.42 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.188 2.592 . . . . 26.0 111.558 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.31 116.98 2.55 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.691 2.26 . . . . 30.09 112.763 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.39 135.34 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 46.96 110.832 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 107.35 -22.06 29.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.663 -0.78 . . . . 36.35 111.957 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -76.74 144.23 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.383 . . . . 36.19 110.605 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 161.67 19.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.006 -0.543 . . . . 36.38 110.105 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 48.5 m-85 -76.17 -23.07 54.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 44.37 110.028 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.29 134.51 34.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 53.87 109.538 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 66.0 t30 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.249 -0.881 . . . . 55.71 110.536 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.742 0.306 . . . . 17.17 110.243 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.34 124.57 41.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.094 -0.503 . . . . 21.89 110.421 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -123.69 170.12 14.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.85 -0.426 . . . . 10.83 109.85 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.7 m-85 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.931 0.396 . . . . 10.61 110.945 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.42 109.5 28.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.13 -0.693 . . . . 9.13 109.13 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -105.53 126.41 52.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.082 0.468 . . . . 20.55 111.006 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -87.15 173.59 9.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.805 -0.634 . . . . 11.78 109.744 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.544 HD11 HG13 ' B' ' 70' ' ' VAL . 38.0 mt -75.83 -5.5 46.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.253 0.549 . . . . 19.31 110.244 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -17.65 24.54 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.244 -0.889 . . . . 23.14 110.545 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.25 -23.82 15.37 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.822 -0.704 . . . . 19.74 112.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.95 110.92 1.01 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.942 0.401 . . . . 21.93 110.762 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -109.56 111.31 22.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.951 -0.568 . . . . 12.33 110.045 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 pt -104.02 156.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.994 -0.548 . . . . 17.08 110.878 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 145.96 24.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.074 -0.512 . . . . 16.3 109.793 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -140.65 141.71 35.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.758 0.313 . . . . 15.88 110.295 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -111.63 108.37 17.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.051 -0.522 . . . . 28.9 110.771 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' B' ' 1' ' ' MET . 2.8 m -145.66 166.2 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.652 -0.704 . . . . 12.05 109.648 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -104.18 154.64 38.08 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.254 -0.647 . . . . 18.17 109.254 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.4 Cg_exo -56.22 -28.38 70.87 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.48 2.12 . . . . 8.16 112.589 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -6.93 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 11.13 111.99 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -75.21 142.74 43.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.027 0.442 . . . . 18.03 111.239 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.26 153.3 31.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 10.22 111.4 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.26 -37.15 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 12.3 110.308 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.05 -39.49 90.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 36.51 110.036 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -68.31 -38.33 81.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.978 -0.556 . . . . 25.66 109.935 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.406 ' O ' HG13 ' B' ' 30' ' ' ILE . 71.9 t -59.48 -44.92 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 8.12 109.66 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.54 -40.1 93.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.736 -0.665 . . . . 15.47 110.601 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.41 89.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.775 -0.648 . . . . 11.45 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -68.57 -31.8 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 24.98 110.425 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' B' ' 26' ' ' VAL . 84.5 mt -71.12 -40.93 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 9.46 109.808 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.2 -29.07 70.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 14.76 110.806 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.16 -30.86 66.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 26.29 112.228 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -103.35 -41.96 5.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 30.06 112.575 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -87.86 -36.36 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.857 0.317 . . . . 25.19 111.857 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.42 35.49 10.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.366 -0.921 . . . . 7.41 112.142 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.54 121.32 42.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.014 -0.365 . . . . 9.49 110.014 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -55.27 132.22 50.93 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.808 2.339 . . . . 11.42 112.43 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.1 Cg_exo -54.72 -28.48 57.16 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.128 2.552 . . . . 12.0 112.151 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.72 -35.76 75.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.587 . . . . 35.55 111.43 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -94.69 0.26 54.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 20.52 110.795 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -89.87 130.45 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.971 -0.558 . . . . 7.13 110.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.587 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 29.6 ttp180 -144.23 112.53 6.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.877 -0.786 . . . . 36.39 108.877 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.89 133.54 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 9.55 111.985 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -114.95 134.53 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.332 -0.849 . . . . 13.9 109.692 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.711 ' HB3' HD21 ' B' ' 50' ' ' LEU . 57.1 t80 -155.95 142.18 18.35 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.697 -0.229 . . . . 6.86 110.632 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.93 29.33 16.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.935 0.494 . . . . 11.15 112.107 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.7 37.22 67.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.842 -0.694 . . . . 13.93 112.393 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -157.77 165.88 34.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 0.0 110.236 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -91.85 135.33 34.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.23 -0.441 . . . . 23.23 110.512 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -80.64 129.35 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.375 -0.375 . . . . 9.11 110.76 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.25 133.97 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 33.44 110.144 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.33 -36.28 68.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 28.37 112.363 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.2 -7.94 88.06 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.775 -0.726 . . . . 15.0 113.52 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.81 172.02 8.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.219 0.51 . . . . 25.5 111.14 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 27.7 p -111.75 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 11.95 110.489 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 61' ' ' ILE . 99.1 mt -65.77 -38.85 90.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 10.17 110.821 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.3 m -67.7 -16.21 64.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 13.59 111.561 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 55' ' ' THR . 16.3 m-20 -73.14 -16.87 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 11.7 111.114 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.31 17.35 9.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.521 -0.309 . . . . 12.95 110.912 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 60.16 35.99 21.07 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.903 -0.59 . . . . 25.45 110.861 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.406 HG12 ' CE2' ' B' ' 45' ' ' PHE . 64.4 mt -83.07 115.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.439 . . . . 14.6 110.364 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -99.12 -163.4 1.03 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.058 -0.519 . . . . 33.23 109.923 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.5 159.74 25.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.164 -0.31 . . . . 25.97 110.164 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.98 18.6 10.04 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.543 0.527 . . . . 32.61 111.703 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -77.51 147.65 35.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 10.56 109.329 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.7 m -112.75 99.88 8.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.239 0.543 . . . . 5.33 111.17 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 24.4 mt -78.4 141.61 38.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.47 -0.786 . . . . 11.66 109.295 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -103.68 118.65 37.22 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.984 -0.287 . . . . 16.3 110.284 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 tp -91.73 106.45 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.051 -0.522 . . . . 9.96 110.871 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 57.4 t . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.613 -0.721 . . . . 9.76 109.467 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.4 HG22 HD22 ' B' ' 8' ' ' LEU . 32.2 p . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.808 0.337 . . . . 13.75 111.357 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.88 126.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 14.12 112.173 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -137.7 132.26 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 14.51 109.264 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -152.38 170.81 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 16.01 110.719 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 CA-C-N 115.819 -0.628 . . . . 16.67 111.616 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.2 mtm-85 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.932 0.396 . . . . 40.81 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -121.82 155.13 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 18.23 111.856 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.7 m -116.66 108.57 16.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.362 -0.835 . . . . 26.25 109.391 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.41 131.1 10.49 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.703 -0.761 . . . . 14.96 111.391 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttp -118.19 123.04 44.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.197 0.499 . . . . 21.59 110.541 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.7 mt -112.87 118.15 57.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.064 -0.517 . . . . 12.92 110.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.08 123.54 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.103 -0.498 . . . . 12.18 109.694 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -64.51 130.97 37.78 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.991 -0.623 . . . . 13.21 112.388 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 53.4 Cg_endo -69.26 141.02 46.08 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.756 2.304 . . . . 14.44 112.151 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 25.8 Cg_exo -62.54 161.73 26.92 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.501 2.134 . . . . 17.43 112.256 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 69.17 22.51 6.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.62 -0.718 . . . . 32.61 111.972 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -137.05 179.59 6.29 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.89 -0.411 . . . . 17.94 109.89 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -74.44 -4.77 38.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 18.91 110.607 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 34.3 m-85 -113.69 9.92 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 16.86 110.663 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -51.84 121.79 7.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.883 0.697 . . . . 37.17 112.883 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 t30 72.53 -10.8 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.84 0.856 . . . . 30.81 113.048 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -66.43 143.71 56.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 25.62 112.014 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.7 mt -111.87 111.61 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 19.36 109.488 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 58.2 m-85 -105.05 123.41 47.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.069 0.461 . . . . 12.92 111.354 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.79 132.72 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 13.09 109.825 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.51 148.17 47.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.97 0.414 . . . . 13.47 111.202 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -114.52 112.86 23.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.754 -0.657 . . . . 33.44 109.408 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.31 127.07 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.396 -0.366 . . . . 19.18 110.743 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -119.68 117.69 28.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.042 -0.526 . . . . 42.22 110.619 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.8 m -102.75 112.85 25.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.96 -0.564 . . . . 25.59 109.992 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.21 -168.77 33.42 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.863 -0.684 . . . . 26.42 113.454 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.42 -12.25 29.37 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.826 3.017 . . . . 31.44 113.397 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -88.63 -5.46 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.026 0.441 . . . . 44.64 110.861 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 23.7 t80 -70.35 144.27 91.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 29.6 109.278 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 69.0 Cg_endo -96.44 16.33 35.57 Favored 'Cis proline' 0 C--N 1.348 0.536 0 C-N-CA 124.547 -1.022 . . . . 27.94 113.264 -0.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -70.08 -38.42 75.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 36.76 110.524 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.77 155.11 39.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.908 -0.587 . . . . 30.58 110.357 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -68.12 143.29 58.98 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.665 2.244 . . . . 28.58 112.161 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.55 177.51 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.654 2.236 . . . . 20.75 112.26 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -98.88 125.0 44.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.601 -0.518 . . . . 29.16 109.601 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.19 128.81 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.802 0.334 . . . . 20.48 111.371 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -142.58 144.99 33.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 41.41 110.134 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -87.7 145.85 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 16.6 111.029 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.09 -50.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.994 -0.743 . . . . 18.03 108.994 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 139.59 37.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.821 . . . . 15.79 109.923 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -63.54 126.58 27.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 35.04 111.261 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.498 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 11.2 tt -144.24 135.96 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 14.88 110.846 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.445 ' ND2' ' HD3' ' A' ' 142' ' ' PRO . 79.8 m-20 -99.92 84.36 2.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.187 -0.672 . . . . 14.21 109.187 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.1 ttt -127.18 142.69 51.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.692 -0.685 . . . . 15.6 110.699 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.02 113.24 2.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 27.45 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.59 -11.65 15.96 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.952 -0.642 . . . . 23.3 112.644 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.71 135.38 45.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 122.617 -0.343 . . . . 22.53 110.791 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.12 136.54 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 26.32 109.854 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.67 -12.15 60.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.047 0.758 . . . . 22.69 113.047 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -101.43 -60.83 1.46 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.806 -0.358 . . . . 31.16 111.608 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 p -80.44 -35.94 34.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.021 0.439 . . . . 30.09 111.387 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.63 6.97 67.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.682 -0.771 . . . . 25.64 111.906 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 ttp -74.83 146.53 41.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.582 0.23 . . . . 38.85 110.456 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.65 134.74 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.304 -0.407 . . . . 25.28 110.781 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.11 111.84 20.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.087 -0.506 . . . . 34.12 110.146 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.98 -35.37 71.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.916 -0.584 . . . . 29.16 112.297 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -23.27 67.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 52.63 111.666 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -99.36 3.76 46.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.644 -0.253 . . . . 34.05 111.674 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.4 mm -119.31 118.02 32.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.896 -0.409 . . . . 26.63 109.896 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.88 -51.27 8.56 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.678 2.918 . . . . 26.05 114.938 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.14 -18.81 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 113.052 0.76 . . . . 25.84 113.052 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.79 -37.35 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.664 -0.415 . . . . 23.97 110.544 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.8 60.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.653 -0.499 . . . . 28.65 109.653 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 59.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.501 -0.925 . . . . 39.1 108.501 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -70.15 136.13 49.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.238 -0.892 . . . . 29.08 111.91 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -123.82 151.83 42.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.51 -0.922 . . . . 45.36 108.51 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -65.96 -10.47 39.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 37.64 111.427 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.45 59.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.208 -0.451 . . . . 26.71 110.693 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.98 178.72 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 23.06 110.844 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 p -161.14 176.8 10.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 17.53 109.652 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.78 -36.57 77.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 109.083 -0.71 . . . . 14.03 109.083 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -55.49 -42.57 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 24.78 110.543 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.64 -42.06 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 17.36 110.715 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.68 -49.03 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 14.42 111.33 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.91 -42.82 98.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 11.53 111.382 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -68.82 -36.85 78.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 16.85 110.915 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -65.85 -45.74 81.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 30.3 110.257 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 131' ' ' MET . 92.1 mt -60.94 -42.54 98.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 14.04 110.63 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.52 -37.51 87.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.37 -0.377 . . . . 10.15 110.409 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -65.67 -40.09 92.03 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.873 -0.417 . . . . 27.05 109.873 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.5 -28.19 67.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 17.72 110.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 63.4 mtt -67.35 -28.81 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.247 0.546 . . . . 18.11 109.978 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.8 mtm -91.73 4.63 52.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 22.93 110.863 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 t -74.36 152.2 39.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.621 -0.511 . . . . 25.92 109.621 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -53.79 -34.3 58.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.962 0.727 . . . . 29.78 112.962 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -86.65 7.42 26.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.722 0.638 . . . . 28.22 112.722 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -134.11 -35.11 0.95 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.259 0.466 . . . . 18.41 112.259 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 14.2 ptm -63.9 -18.26 64.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.883 0.698 . . . . 20.97 112.883 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -121.98 40.27 3.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 35.29 111.391 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.02 133.55 20.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 15.71 110.694 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.27 115.61 2.62 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.781 2.321 . . . . 19.11 111.497 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -96.42 141.1 22.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 20.51 111.637 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 43.4 Cg_endo -67.76 165.7 26.83 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.942 2.428 . . . . 26.0 111.874 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -46.2 126.82 10.23 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.259 2.639 . . . . 30.09 112.787 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.61 130.03 42.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 46.96 111.03 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.6 -10.77 30.4 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.705 -0.759 . . . . 36.35 112.423 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -81.9 138.33 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.061 0.458 . . . . 36.19 111.189 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 p -114.15 158.38 21.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.718 -0.674 . . . . 36.38 110.259 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.81 -35.39 72.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 44.37 110.444 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -119.27 169.33 10.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.921 -0.77 . . . . 53.87 108.921 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.084 -0.96 . . . . 55.71 110.554 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.973 -0.38 . . . . 17.17 109.973 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -95.41 131.76 41.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.059 0.457 . . . . 21.89 111.571 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 pt -132.7 169.49 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.608 -0.724 . . . . 10.83 109.368 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.01 137.57 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.859 0.361 . . . . 10.61 110.554 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 40.4 t -113.01 114.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.505 . . . . 9.13 109.638 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -97.3 114.5 26.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.08 -0.509 . . . . 20.55 110.135 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.428 HG22 HD23 ' B' ' 69' ' ' LEU . 26.0 p -82.53 164.21 21.03 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.918 -0.583 . . . . 11.78 110.259 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.67 HD11 HG13 ' B' ' 70' ' ' VAL . 19.3 mt -69.46 -21.22 63.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.685 -0.487 . . . . 19.31 109.685 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -38.52 68.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.368 -0.833 . . . . 23.14 110.296 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.06 -18.92 5.83 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.661 -0.78 . . . . 19.74 112.888 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -68.87 110.5 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 21.93 110.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.25 105.95 17.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 12.33 109.525 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.414 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 22.9 pt -95.66 162.33 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.047 0.451 . . . . 17.08 111.446 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -105.37 146.27 29.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.797 -0.638 . . . . 16.3 109.523 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tp -145.13 148.92 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 15.88 110.928 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -114.62 109.8 18.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.878 -0.601 . . . . 28.9 109.89 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.622 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.8 m -133.89 162.27 39.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.15 -0.477 . . . . 12.05 110.845 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 20.9 mm-40 -104.87 155.0 38.22 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.102 -0.703 . . . . 18.17 109.102 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.78 -28.88 69.25 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.092 . . . . 8.16 112.926 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.97 3.34 51.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 11.13 111.825 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.1 t0 -75.26 142.71 43.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.975 0.417 . . . . 18.03 110.428 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' B' ' 26' ' ' VAL . 17.4 p -89.26 153.61 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 10.22 110.371 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.6 mm -59.92 -32.19 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 12.3 111.0 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.52 -43.87 97.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.886 0.374 . . . . 36.51 110.275 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -67.75 -34.86 77.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 25.66 109.696 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 22' ' ' THR . 89.2 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.835 -0.62 . . . . 8.12 109.513 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.75 -39.03 90.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 15.47 110.418 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 11.45 110.7 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.14 -39.12 93.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 24.98 110.209 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.25 -38.44 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.811 -0.632 . . . . 9.46 110.009 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -69.04 -23.64 64.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 14.76 110.939 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.298 -0.41 . . . . 26.29 111.556 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -96.63 -41.17 8.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.871 0.693 . . . . 30.06 112.871 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -89.63 -39.21 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.156 -0.34 . . . . 25.19 111.517 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.92 5.71 57.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.522 -0.847 . . . . 7.41 112.545 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.02 119.27 76.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.522 -0.177 . . . . 9.49 110.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 28.4 Cg_exo -62.66 131.45 33.51 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.442 2.094 . . . . 11.42 111.683 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 70.4 Cg_exo -52.77 -28.05 36.65 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.079 2.519 . . . . 12.0 113.256 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.8 -35.85 79.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.066 0.46 . . . . 35.55 110.777 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -95.03 8.05 44.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 20.52 110.471 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -101.25 112.05 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.699 -0.682 . . . . 7.13 111.052 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.423 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.2 ttp180 -123.75 96.73 5.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.733 -0.84 . . . . 36.39 108.733 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.491 ' HB3' HD12 ' B' ' 50' ' ' LEU . 42.4 mt -82.85 126.75 32.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 9.55 112.145 -178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.25 128.53 75.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.471 -0.786 . . . . 13.9 109.391 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.514 ' HB3' HD21 ' B' ' 50' ' ' LEU . 52.9 t80 -146.82 140.86 26.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.192 -0.299 . . . . 6.86 110.192 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 24.41 11.41 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.018 -0.537 . . . . 11.15 111.527 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.63 26.64 66.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.896 -0.669 . . . . 13.93 112.671 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -138.92 152.75 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.706 0.288 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 123.47 29.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 23.23 109.636 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' B' ' 45' ' ' PHE . 26.8 mt -78.77 105.82 10.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.226 -0.443 . . . . 9.11 110.559 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -70.63 135.34 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.587 -0.279 . . . . 33.44 110.316 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.7 m-20 -51.11 -46.94 62.02 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.658 0.614 . . . . 28.37 112.658 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.3 -9.83 81.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.002 -0.618 . . . . 15.0 113.971 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -87.03 161.59 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.374 0.587 . . . . 25.5 110.901 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 36.5 p -100.5 164.35 11.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 11.95 110.841 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.102 0.477 . . . . 10.17 110.641 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.9 m -78.8 -5.11 52.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.885 -0.598 . . . . 13.59 111.258 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -88.24 -13.71 40.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.733 0.301 . . . . 11.7 111.195 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.21 18.88 9.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 12.95 111.194 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.36 44.52 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.825 -0.625 . . . . 25.45 110.606 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' B' ' 45' ' ' PHE . 52.5 mt -92.2 126.0 44.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 14.6 109.629 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -117.32 -169.6 1.69 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.177 -0.465 . . . . 33.23 110.677 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -73.33 157.92 36.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.286 -0.415 . . . . 25.97 110.188 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 65.8 8.59 5.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.97 -0.559 . . . . 32.61 112.369 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -75.62 145.53 41.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.288 -0.264 . . . . 10.56 110.288 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -106.98 97.79 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.164 0.507 . . . . 5.33 110.734 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.5 138.49 41.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.826 -0.625 . . . . 11.66 109.617 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -95.72 115.15 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.262 -0.273 . . . . 16.3 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.428 HD23 HG22 ' B' ' 7' ' ' THR . 27.0 tp -94.44 105.64 17.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.101 0.477 . . . . 9.96 110.792 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.67 HG13 HD11 ' B' ' 8' ' ' LEU . 11.3 t . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.708 -0.678 . . . . 9.76 109.775 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.201 -0.296 . . . . 51.18 110.201 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -71.32 100.07 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 52.33 110.125 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.551 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 41.9 t -55.44 -51.98 75.46 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.777 -0.647 . . . . 45.08 112.607 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 24.1 Cg_exo -64.55 -41.3 20.17 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.869 1.713 . . . . 40.03 112.167 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' PRO . 53.2 ttt-85 -60.07 -51.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 35.39 110.665 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.9 -46.69 88.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 39.28 111.218 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -61.64 -47.47 85.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.381 -0.372 . . . . 39.58 111.161 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 3.9 tpp85 -61.32 -47.85 84.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 38.87 111.332 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.85 -36.03 80.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.295 -0.411 . . . . 22.45 111.301 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.7 mt -65.85 -34.89 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.017 0.437 . . . . 25.03 110.113 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.22 -41.92 63.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 36.37 110.61 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 28.3 mt-10 -66.58 -24.68 66.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 25.08 110.708 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.24 -41.48 96.97 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.431 -0.581 . . . . 28.37 109.431 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -65.17 -48.28 74.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.538 -0.755 . . . . 45.48 110.513 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.12 -31.33 71.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.82 -0.627 . . . . 35.52 110.835 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.45 34.96 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.047 -0.597 . . . . 31.25 112.17 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -41.99 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 42.74 110.697 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HD2' ' H ' ' B' ' 66' ' ' THR . 39.1 mmtm -82.27 -14.11 55.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 47.38 110.973 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.17 45.85 95.19 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.175 -0.466 . . . . 34.95 112.54 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.57 146.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.77 0.319 . . . . 28.2 110.947 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 -122.63 4.33 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.093 -0.575 . . . . 22.15 111.701 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.23 -43.08 92.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.139 0.495 . . . . 15.15 110.351 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.63 -37.44 3.45 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.677 -0.773 . . . . 12.29 112.353 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.52 31.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.273 0.558 . . . . 13.75 111.333 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.53 147.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.736 -0.666 . . . . 14.12 110.143 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.3 m -155.4 150.86 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.837 -0.431 . . . . 14.51 109.837 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 15.3 p90 -157.0 173.54 16.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.33 -0.248 . . . . 16.01 110.33 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.16 -178.34 42.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.687 -0.768 . . . . 16.67 111.798 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -64.38 129.01 38.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 25.73 109.776 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.34 -50.8 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 44.86 111.26 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 t70 -79.08 -31.89 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.01 -0.541 . . . . 55.38 110.75 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 10.8 t70 74.94 -48.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.587 0.755 . . . . 59.05 111.455 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -68.86 -29.28 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.101 0.476 . . . . 62.12 110.338 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -75.16 96.65 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 57.57 109.768 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -86.55 12.73 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.798 0.666 . . . . 49.86 112.798 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.1 p -77.76 -14.82 59.48 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.395 -0.595 . . . . 34.17 109.395 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 mt 61.28 36.45 17.74 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 114.699 -1.137 . . . . 26.52 111.618 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 m -110.88 1.91 17.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 22.44 111.039 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -130.78 91.81 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.241 0.543 . . . . 40.81 110.219 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.16 147.95 29.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.631 -0.713 . . . . 18.23 111.252 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.44 138.21 52.0 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.785 -0.82 . . . . 26.25 108.785 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.81 145.68 16.86 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.627 -0.797 . . . . 14.96 111.693 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 ttp -130.89 124.13 30.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 21.59 110.772 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.52 120.77 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 12.92 110.069 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -85.8 107.68 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.313 -0.625 . . . . 12.18 109.313 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.35 129.87 19.78 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.359 -0.837 . . . . 13.21 114.205 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.26 133.54 26.74 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.001 2.468 . . . . 14.44 112.442 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 35.5 Cg_exo -61.44 161.57 23.49 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.68 2.253 . . . . 17.43 112.377 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 71.24 10.08 6.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.495 0.718 . . . . 32.61 112.461 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -124.31 -177.5 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 17.94 109.702 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -77.18 -6.27 52.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.283 0.563 . . . . 18.91 110.215 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.522 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 31.0 m-85 -107.49 13.62 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.704 -0.68 . . . . 16.86 109.541 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -57.45 123.81 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.65 . . . . 37.17 112.349 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 59.58 29.67 19.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.535 -0.757 . . . . 30.81 111.547 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' HD3' ' OH ' ' A' ' 68' ' ' TYR . 25.3 mtt180 -109.35 110.41 21.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.866 0.365 . . . . 25.62 110.303 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -84.98 100.74 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.172 0.51 . . . . 19.36 110.064 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.451 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 54.5 m-85 -90.72 138.97 31.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 12.92 111.02 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -111.89 139.22 47.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.812 -0.631 . . . . 13.09 110.321 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.75 162.25 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.115 -0.493 . . . . 13.47 110.974 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -122.58 125.19 45.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.533 -0.758 . . . . 33.44 109.081 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.94 130.29 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.094 0.473 . . . . 19.18 111.371 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -122.56 109.01 13.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 42.22 109.792 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 m -86.23 117.74 25.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.951 -0.568 . . . . 25.59 110.271 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.39 -178.9 40.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.156 -0.545 . . . . 26.42 113.013 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . 19.9 Cg_exo -67.29 -19.33 50.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.097 2.532 . . . . 31.44 112.391 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.96 -0.5 57.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.171 -0.468 . . . . 44.64 111.619 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 38.3 t80 -67.09 141.26 96.32 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.68 -0.489 . . . . 29.6 109.68 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 65.3 Cg_endo -96.19 15.51 37.31 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 124.369 -1.096 . . . . 27.94 113.729 0.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.89 -35.88 81.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.96 0.41 . . . . 36.76 110.55 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.67 151.98 42.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.747 -0.66 . . . . 30.58 110.577 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' TRP . 13.7 Cg_exo -66.98 133.41 31.02 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 28.58 112.125 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.58 171.08 18.12 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.582 2.188 . . . . 20.75 112.01 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -90.56 117.23 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.179 -0.304 . . . . 29.16 110.179 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.421 HG21 HG11 ' A' ' 123' ' ' VAL . 23.5 t -120.53 134.19 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.409 -0.36 . . . . 20.48 110.807 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -149.08 151.28 34.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.437 -0.347 . . . . 41.41 110.551 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -88.11 145.3 26.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 16.6 110.446 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.52 -43.12 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.202 -0.666 . . . . 18.03 109.202 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.04 143.88 29.46 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.348 -0.842 . . . . 15.79 109.915 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 70.0 mttt -62.76 125.01 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.004 0.43 . . . . 35.04 111.329 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.451 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 13.0 tt -144.71 138.16 22.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.684 -0.689 . . . . 14.88 110.751 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -102.11 94.96 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.849 -0.797 . . . . 14.21 108.849 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.6 ttt -140.75 140.33 34.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.344 -0.844 . . . . 15.6 109.351 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.23 124.74 20.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 27.45 110.906 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.77 -10.78 52.88 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.966 -0.635 . . . . 23.3 112.147 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.43 127.26 57.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.227 -0.286 . . . . 22.53 110.227 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -66.75 141.72 57.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 26.32 109.932 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -84.52 -12.61 53.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.274 0.842 . . . . 22.69 113.274 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -106.91 -44.13 4.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.106 0.41 . . . . 31.16 112.106 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -99.48 -26.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.84 0.353 . . . . 30.09 111.514 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.83 5.26 88.14 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.474 -0.87 . . . . 25.64 111.769 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -66.75 135.4 53.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.696 0.284 . . . . 38.85 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.64 139.16 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.99 -0.55 . . . . 25.28 109.944 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.518 ' OD2' ' HG2' ' A' ' 106' ' ' ARG . 24.9 t70 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 34.12 110.923 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.02 25.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.987 0.736 . . . . 29.16 112.987 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HG2' ' OD2' ' A' ' 104' ' ' ASP . 26.9 ptt-85 -68.05 -9.04 42.85 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.504 0.557 . . . . 52.63 112.504 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.4 m -87.96 -32.76 18.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.757 0.313 . . . . 34.05 110.701 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.404 HG22 HG22 ' A' ' 110' ' ' VAL . 21.0 mm -99.59 121.63 54.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.285 -0.416 . . . . 26.63 110.267 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.49 -48.78 12.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.637 2.891 . . . . 26.05 114.297 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 108' ' ' ILE . 34.6 m -68.68 -23.99 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 112.681 0.623 . . . . 25.84 112.681 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.1 mt -87.65 -38.01 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 23.97 110.363 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -67.83 -47.87 67.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 28.65 109.961 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -108.62 58.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 39.1 109.349 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' PRO . 68.6 t-105 -68.42 145.34 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 29.08 111.593 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -134.38 149.38 50.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.187 -0.915 . . . . 45.36 108.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -65.63 -11.99 49.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.779 0.288 . . . . 37.64 111.779 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -7.47 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 26.71 110.904 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -83.55 176.15 9.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.874 0.368 . . . . 23.06 110.906 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -155.36 176.19 12.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 17.53 109.807 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.38 -31.44 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.087 -0.708 . . . . 14.03 109.087 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.449 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.3 ttpt -56.17 -51.71 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 24.78 110.617 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.67 -38.07 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 17.36 111.273 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.421 HG11 HG21 ' A' ' 85' ' ' VAL . 94.6 t -61.14 -51.89 67.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 14.42 111.167 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.77 -41.83 98.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 11.53 110.867 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.45 -40.2 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 16.85 110.726 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -65.59 -43.79 88.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 30.3 110.218 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 131' ' ' MET . 68.2 mt -59.49 -46.08 89.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 14.04 110.121 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -64.96 -34.37 78.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 10.15 110.191 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 27.05 109.828 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.1 mt -70.82 -21.15 62.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.729 -0.669 . . . . 17.72 111.119 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 59.0 mtt -72.43 -26.11 61.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.293 0.568 . . . . 18.11 109.996 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.47 -8.12 59.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.743 -0.662 . . . . 22.93 110.568 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 m -69.71 146.3 51.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 25.92 110.424 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 137' ' ' MET . 46.9 tptt -55.3 -36.21 65.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 29.78 112.583 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.27 0.841 . . . . 28.22 113.27 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -118.84 -36.91 3.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.332 0.493 . . . . 18.41 112.332 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 134' ' ' LYS . 14.1 ptm -57.82 -21.9 44.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.21 0.818 . . . . 20.97 113.21 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -111.19 25.74 11.42 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.967 -0.293 . . . . 35.29 111.689 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 33.6 mt -92.94 123.0 62.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.109 -0.33 . . . . 15.71 110.109 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.66 119.87 7.4 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.783 2.322 . . . . 19.11 111.732 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -95.83 140.58 22.37 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.139 -0.482 . . . . 20.51 111.405 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 168.55 23.17 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.803 2.336 . . . . 26.0 111.297 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.98 121.72 2.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 30.09 113.393 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.0 126.72 28.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 46.96 110.659 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.66 -21.13 9.21 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.763 -0.732 . . . . 36.35 112.051 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.29 133.95 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.025 0.44 . . . . 36.19 110.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.41 156.98 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.968 -0.56 . . . . 36.38 110.553 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 58.8 m-85 -75.52 -9.37 58.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 44.37 110.821 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.88 146.51 27.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.024 -0.732 . . . . 53.87 109.024 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.988 -1.006 . . . . 55.71 110.038 -179.134 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.8 ptt? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.894 0.378 . . . . 17.17 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -96.08 124.52 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.879 -0.601 . . . . 21.89 110.316 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -118.97 155.79 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.585 -0.524 . . . . 10.83 109.585 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.658 0.266 . . . . 10.61 110.647 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.404 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 16.6 t -94.81 103.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.325 -0.62 . . . . 9.13 109.325 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -102.57 121.41 42.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.104 -0.498 . . . . 20.55 111.08 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.0 m -86.05 159.83 19.47 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.181 -0.674 . . . . 11.78 109.181 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.625 HD11 HG13 ' B' ' 70' ' ' VAL . 88.6 mt -60.2 -18.63 49.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.865 0.364 . . . . 19.31 111.346 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -25.4 63.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 23.14 110.741 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.03 -36.87 3.06 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.948 -0.644 . . . . 19.74 112.798 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.207 0.527 . . . . 21.93 111.8 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -119.63 117.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 12.33 109.701 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.404 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.6 pt -105.91 150.11 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.823 0.344 . . . . 17.08 110.74 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 130.65 44.34 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.965 -0.562 . . . . 16.3 110.129 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.37 127.49 49.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.56 -0.291 . . . . 15.88 110.665 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -97.58 94.54 7.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.887 -0.597 . . . . 28.9 109.67 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.8 m -133.91 169.55 21.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.431 -0.35 . . . . 12.05 111.075 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -109.93 153.41 43.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.444 -0.576 . . . . 18.17 109.444 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.2 Cg_exo -53.99 -30.49 59.39 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.906 2.404 . . . . 8.16 113.572 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -6.36 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.499 0.555 . . . . 11.13 112.499 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.34 145.43 33.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 18.03 110.487 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.16 151.36 22.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 10.22 110.976 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -60.15 -32.8 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 12.3 110.378 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 36.51 110.155 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.45 -37.25 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 25.66 109.546 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.69 -44.43 85.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.545 -0.752 . . . . 8.12 109.703 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.8 mttt -59.57 -42.91 93.54 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.84 -0.618 . . . . 15.47 110.751 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -37.29 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.757 -0.656 . . . . 11.45 111.066 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -68.16 -37.41 80.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.127 -0.488 . . . . 24.98 109.822 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.9 mt -68.57 -36.2 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.105 -0.702 . . . . 9.46 109.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.65 -30.84 71.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.533 -0.758 . . . . 14.76 110.714 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -75.55 -45.12 39.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 26.29 112.152 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -87.92 -36.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.12 0.785 . . . . 30.06 113.12 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -96.41 -38.73 9.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.977 0.362 . . . . 25.19 111.977 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.32 17.74 33.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.479 -0.867 . . . . 7.41 112.378 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.31 117.16 67.67 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.353 -0.24 . . . . 9.49 110.353 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.1 124.56 16.6 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.951 2.434 . . . . 11.42 112.513 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.2 Cg_exo -54.04 -29.58 55.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.727 2.952 . . . . 12.0 113.275 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.493 ' OD2' ' HD3' ' B' ' 74' ' ' ARG . 21.8 t70 -59.19 -34.28 71.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.845 -0.616 . . . . 35.55 111.992 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 -101.56 20.18 16.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.899 0.38 . . . . 20.52 111.387 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -101.66 126.51 48.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.988 0.423 . . . . 7.13 110.663 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -134.83 108.91 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 36.39 109.358 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -86.97 135.59 33.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.151 0.501 . . . . 9.55 111.953 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -120.56 130.85 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.157 -0.929 . . . . 13.9 109.331 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD21 ' B' ' 50' ' ' LEU . 75.5 t80 -152.64 143.69 23.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.677 -0.238 . . . . 6.86 110.746 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.13 26.01 11.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.842 -0.617 . . . . 11.15 112.271 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 25.3 65.04 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.956 -0.64 . . . . 13.93 113.039 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -146.01 166.0 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.809 0.338 . . . . 0.0 110.659 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.75 139.89 30.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.558 . . . . 23.23 110.368 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' B' ' 45' ' ' PHE . 23.0 mt -97.27 159.54 14.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.347 -0.388 . . . . 9.11 110.103 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -99.32 -175.96 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.796 0.332 . . . . 33.44 111.015 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.26 -53.29 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 28.37 111.826 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.6 39.16 2.13 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.924 -0.58 . . . . 15.0 113.864 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' OH ' ' B' ' 59' ' ' TYR . 20.7 mmt180 -130.38 160.23 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.213 -0.662 . . . . 25.5 109.213 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 68.2 p -94.49 169.07 10.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.73 0.3 . . . . 11.95 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 22.9 mt -67.38 -28.7 68.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.603 -0.518 . . . . 10.17 109.603 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -21.6 62.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.725 -0.671 . . . . 13.59 110.749 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -64.38 -29.41 70.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.274 -0.421 . . . . 11.7 111.262 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' B' ' 54' ' ' ARG . 3.1 m-85 -109.39 7.92 25.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 12.95 110.293 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 60.21 45.92 10.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.837 -0.619 . . . . 25.45 110.822 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.9 mt -86.41 122.8 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.948 -0.39 . . . . 14.6 109.948 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -165.58 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.085 -0.507 . . . . 33.23 110.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -79.79 163.23 24.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.985 -0.552 . . . . 25.97 110.741 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 55.51 28.43 11.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 32.61 111.771 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -93.14 127.31 38.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.794 0.33 . . . . 10.56 110.356 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.408 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 13.0 m -87.21 91.35 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 5.33 110.924 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.66 153.81 34.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.709 -0.678 . . . . 11.66 109.278 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -110.07 119.49 39.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.01 0.433 . . . . 16.3 111.055 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -96.03 103.56 15.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.627 -0.715 . . . . 9.96 109.691 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 8' ' ' LEU . 57.3 t -97.18 117.35 41.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.648 -0.706 . . . . 9.76 109.789 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.75 121.05 13.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.783 -0.644 . . . . 19.57 111.135 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -93.2 90.9 7.02 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.009 -0.737 . . . . 35.08 109.009 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.11 116.25 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.643 . . . . 32.31 110.933 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.493 ' HD3' ' OD2' ' B' ' 39' ' ' ASP . 10.3 ttp180 -120.19 103.44 9.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 42.75 109.907 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.62 95.11 1.32 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.827 -0.702 . . . . 36.31 111.793 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.914 0 CA-C-O 119.002 -0.888 . . . . 36.27 111.783 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.195 -0.298 . . . . 51.18 110.195 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -72.47 104.84 3.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.538 -0.301 . . . . 52.33 110.199 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.545 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 53.1 t -59.91 -51.45 80.62 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.246 0.462 . . . . 45.08 112.246 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 35.3 Cg_exo -59.56 -43.12 41.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.603 1.536 . . . . 40.03 112.087 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.7 ttt-85 -62.62 -47.26 84.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.324 -0.398 . . . . 35.39 110.299 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.95 -49.06 78.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.217 -0.447 . . . . 39.28 111.043 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 18.3 t80 -60.4 -46.37 90.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.47 . . . . 39.58 110.556 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 1.5 tpp180 -58.93 -46.61 87.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 38.87 110.769 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 93.2 mt -61.6 -39.96 93.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 22.45 110.544 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.35 -33.33 75.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.984 0.421 . . . . 25.03 109.984 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 29.9 mt-10 -70.17 -48.43 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.764 -0.653 . . . . 36.37 109.849 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 78.3 mm-40 -59.29 -28.55 66.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.927 -0.579 . . . . 25.08 110.426 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 37.3 tp -62.03 -46.87 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.43 -0.582 . . . . 28.37 109.43 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.13 -40.42 90.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.606 -0.724 . . . . 45.48 109.613 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 7.6 mm-40 -60.5 -38.83 85.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.801 -0.636 . . . . 35.52 109.872 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.26 -35.83 88.71 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.939 -0.573 . . . . 31.25 112.128 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.7 mt-30 -75.0 -9.0 58.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.992 0.425 . . . . 42.74 110.63 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' HB ' ' B' ' 66' ' ' THR . 47.0 mtmt -111.37 -9.38 14.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 47.38 110.399 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.83 44.03 98.42 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.899 -0.591 . . . . 34.95 112.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.8 137.94 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.776 0.322 . . . . 28.2 111.039 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.02 -143.8 15.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.525 -0.845 . . . . 22.15 112.577 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -33.43 74.04 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.27 0.228 . . . . 15.15 111.312 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.19 -14.17 6.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.746 -0.74 . . . . 12.29 112.982 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p -106.7 -41.45 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.995 0.397 . . . . 13.75 111.608 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.42 143.44 14.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 14.12 112.243 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -149.18 147.15 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 14.51 109.486 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 41.9 p90 -153.52 171.23 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.661 0.267 . . . . 16.01 110.73 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.46 -172.43 40.32 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.122 -0.791 . . . . 16.67 111.122 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.73 144.56 32.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.148 0.474 . . . . 25.73 110.297 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -77.42 -78.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.532 -0.304 . . . . 44.86 111.116 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 11.8 p-10 -77.14 -36.66 55.16 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.514 -0.312 . . . . 55.38 110.899 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 20.5 t70 66.98 7.58 5.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.746 0.784 . . . . 59.05 111.293 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.65 -40.51 8.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 62.12 110.976 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -75.66 119.9 20.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 57.57 109.991 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.9 mtt -72.56 -0.13 12.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.914 0.709 . . . . 49.86 112.914 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 p -78.43 -17.35 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.441 -0.504 . . . . 34.17 110.339 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' HD13 ' A' ' 20' ' ' LEU . 37.2 mt 53.12 45.37 28.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.33 -0.85 . . . . 26.52 111.58 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -96.14 -28.33 14.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.164 -0.471 . . . . 22.44 111.566 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.7 109.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 40.81 111.656 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -116.83 145.05 43.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 18.23 111.144 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -108.95 120.5 42.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.569 -0.741 . . . . 26.25 110.224 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.4 15.06 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.777 -0.929 . . . . 14.96 110.777 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.9 ttp -128.84 128.48 43.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.334 0.567 . . . . 21.59 110.658 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.14 120.23 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.836 -0.62 . . . . 12.92 110.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.89 117.67 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.663 -0.866 . . . . 12.18 108.663 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.704 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.42 126.4 15.68 Favored Glycine 0 N--CA 1.449 -0.445 0 O-C-N 123.683 0.614 . . . . 13.21 113.394 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.3 Cg_exo -56.99 136.0 74.13 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.141 2.561 . . . . 14.44 112.427 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 39.2 Cg_exo -58.19 159.58 18.47 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.757 2.304 . . . . 17.43 112.435 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 21.7 mmm180 73.88 -35.79 0.32 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.624 0.769 . . . . 32.61 112.466 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -74.04 177.15 5.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.163 -0.31 . . . . 17.94 110.163 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.71 -4.36 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.099 0.476 . . . . 18.91 110.491 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.704 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 54.3 m-85 -98.97 3.15 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 16.86 110.305 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -52.36 128.81 26.61 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.558 0.577 . . . . 37.17 112.558 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.5 t30 62.67 22.82 13.57 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.27 -0.877 . . . . 30.81 111.839 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 36.2 mtt180 -103.47 108.63 19.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.962 -0.461 . . . . 25.62 110.236 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.76 102.89 11.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.011 -0.541 . . . . 19.36 109.729 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.596 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 48.7 m-85 -95.58 139.38 31.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 12.92 111.778 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -107.16 137.96 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 13.09 109.79 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.15 154.82 47.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.407 -0.36 . . . . 13.47 111.122 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -115.56 125.78 53.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.21 -0.663 . . . . 33.44 109.21 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.26 124.21 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.353 -0.385 . . . . 19.18 110.512 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -115.42 103.84 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 42.22 110.3 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.6 m -83.98 110.68 18.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.765 -0.652 . . . . 25.59 110.331 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.53 -178.07 39.29 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.942 -0.647 . . . . 26.42 112.757 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.31 -14.59 28.33 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.915 2.41 . . . . 31.44 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -88.15 -1.27 57.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.462 . . . . 44.64 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -68.54 140.39 92.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 29.6 109.535 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -97.69 21.47 26.16 Favored 'Cis proline' 0 N--CA 1.459 -0.532 0 C-N-CA 124.381 -1.091 . . . . 27.94 113.426 0.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -69.67 -37.27 76.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 36.76 109.906 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 144.59 31.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.464 -0.789 . . . . 30.58 110.246 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.22 132.51 34.24 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.762 2.308 . . . . 28.58 112.663 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.45 160.88 43.69 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.768 2.312 . . . . 20.75 112.143 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.78 116.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 29.16 110.288 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.84 130.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.394 -0.366 . . . . 20.48 110.801 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -143.85 149.79 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.541 -0.3 . . . . 41.41 110.721 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.66 143.78 27.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.122 -0.49 . . . . 16.6 110.629 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.23 -50.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.187 0.517 . . . . 18.03 110.076 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 150.24 31.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.574 -0.739 . . . . 15.79 110.057 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 77.1 mttt -67.03 123.32 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.964 0.411 . . . . 35.04 111.172 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.596 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.0 tt -145.02 135.4 19.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.474 -0.784 . . . . 14.88 110.496 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -101.57 97.13 7.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 14.21 109.358 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.8 ttt -139.14 139.63 37.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.528 -0.76 . . . . 15.6 109.767 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -56.93 110.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.297 0.373 . . . . 27.45 111.622 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.04 -11.21 20.37 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 23.3 112.652 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.45 126.32 57.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.228 -0.286 . . . . 22.53 110.228 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -63.46 138.16 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 26.32 110.379 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -86.77 -3.47 59.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.711 0.634 . . . . 22.69 112.711 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 m -112.65 -53.95 2.66 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.191 -0.318 . . . . 31.16 111.574 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 p -89.59 -29.98 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 30.09 110.838 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.11 74.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.877 -0.678 . . . . 25.64 111.803 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -67.01 145.44 55.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.76 0.314 . . . . 38.85 110.637 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -98.3 126.5 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 25.28 110.326 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.45 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 23.3 t0 -74.04 121.76 21.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 34.12 110.445 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.599 -0.728 . . . . 29.16 112.635 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 25.2 ptt-85 -81.89 -1.61 48.37 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.448 -0.501 . . . . 52.63 111.584 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.4 m -99.93 -15.29 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 34.05 109.966 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 mm -111.11 119.69 45.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.791 -0.641 . . . . 26.63 109.856 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.95 -49.8 14.27 Favored 'Trans proline' 0 CA--C 1.534 0.507 0 C-N-CA 123.398 2.732 . . . . 26.05 114.271 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.47 -16.21 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.619 0.599 . . . . 25.84 112.619 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 mt -96.02 -40.62 9.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.711 0.291 . . . . 23.97 110.309 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.95 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.299 0.571 . . . . 28.65 109.709 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -111.33 57.43 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 39.1 108.932 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -61.54 143.23 56.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 29.08 111.465 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -129.05 147.24 50.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.733 -0.84 . . . . 45.36 108.733 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -66.55 -9.03 30.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.441 . . . . 37.64 111.385 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -6.6 59.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 26.71 111.131 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -89.82 171.66 9.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 23.06 110.583 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.5 p -148.92 178.9 8.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 17.53 109.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 120' ' ' ILE . 22.1 mt -59.52 -40.27 81.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.502 0.667 . . . . 14.03 109.948 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 25.8 ttpt -58.37 -42.45 87.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.886 -1.052 . . . . 24.78 110.953 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.08 -41.81 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 17.36 110.745 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 44.1 t -63.0 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 14.42 110.583 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.22 -43.13 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 11.53 110.739 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.55 -39.48 91.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 16.85 110.734 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 129' ' ' ARG . 10.0 tp10 -63.13 -44.61 95.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.041 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 95.7 mt -60.12 -44.2 95.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 14.04 110.406 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -66.12 -32.99 74.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.001 0.429 . . . . 10.15 110.276 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' A' ' 126' ' ' GLU . 69.1 ttp85 -68.15 -39.11 82.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.482 -0.562 . . . . 27.05 109.482 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.23 -19.98 60.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.427 -0.806 . . . . 17.72 110.952 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.5 mtt -71.38 -24.28 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.41 0.624 . . . . 18.11 109.677 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.7 mtm -90.52 3.44 53.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.764 . . . . 22.93 110.507 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.94 144.2 52.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.738 -0.467 . . . . 25.92 109.738 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -53.81 -39.14 65.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.162 0.431 . . . . 29.78 112.162 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -84.31 14.08 4.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.355 0.502 . . . . 28.22 112.355 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -135.06 -45.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 18.41 111.594 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.9 ptm -54.56 -22.71 14.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.765 1.024 . . . . 20.97 113.765 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.02 13.58 19.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.008 0.373 . . . . 35.29 112.008 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.19 129.4 82.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.886 -0.325 . . . . 15.71 110.528 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.83 117.84 4.59 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 19.11 111.174 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -89.54 152.38 47.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.199 -0.455 . . . . 20.51 111.579 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.86 166.62 23.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.917 2.411 . . . . 26.0 110.559 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -49.44 119.88 5.11 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.429 2.086 . . . . 30.09 112.277 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.78 134.62 57.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.974 -0.557 . . . . 46.96 110.677 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.03 -26.9 12.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.316 -0.714 . . . . 36.35 111.316 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -69.58 140.8 53.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 36.19 110.62 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 162.69 18.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.201 -0.454 . . . . 36.38 109.907 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 43.6 m-85 -80.66 -13.46 59.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.371 0.605 . . . . 44.37 110.23 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.793 . . . . 53.87 109.754 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.194 -0.907 . . . . 55.71 110.716 179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.18 -0.304 . . . . 17.17 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -98.69 128.63 45.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.294 0.569 . . . . 21.89 111.18 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -124.21 165.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.794 -0.639 . . . . 10.83 109.479 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.6 m-85 -117.38 118.07 31.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.779 0.323 . . . . 10.61 110.967 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.424 ' HB ' HG13 ' B' ' 13' ' ' ILE . 12.1 t -99.42 108.13 21.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.731 -0.84 . . . . 9.13 108.731 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -110.94 129.58 55.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 20.55 111.304 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -84.2 167.47 16.65 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.442 -0.577 . . . . 11.78 109.442 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.682 HD11 HG13 ' B' ' 70' ' ' VAL . 20.5 mt -66.44 -26.84 67.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.101 0.477 . . . . 19.31 110.239 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -32.08 68.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.515 -0.766 . . . . 23.14 110.949 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.65 -21.67 4.72 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.416 -0.897 . . . . 19.74 113.309 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -60.03 122.26 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.006 0.431 . . . . 21.93 110.765 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -116.37 129.28 56.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.815 -0.629 . . . . 12.33 110.427 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.424 HG13 ' HB ' ' B' ' 5' ' ' VAL . 31.8 pt -124.04 142.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 17.08 110.603 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.38 140.78 29.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.267 -0.424 . . . . 16.3 110.344 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -136.41 137.56 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.37 . . . . 15.88 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.11 97.95 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.989 -0.55 . . . . 28.9 109.565 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.23 171.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.505 . . . . 12.05 111.079 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -106.03 151.51 40.1 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 18.17 109.685 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.96 -19.77 64.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.444 2.096 . . . . 8.16 112.274 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -93.16 5.51 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 11.13 111.391 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.2 148.21 30.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 18.03 110.108 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -84.72 153.89 22.79 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.877 -0.601 . . . . 10.22 110.775 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.68 -34.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 12.3 110.004 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -62.43 -40.25 95.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.549 . . . . 36.51 110.354 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -66.34 -42.48 88.04 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.554 -0.536 . . . . 25.66 109.554 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.98 -45.12 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 8.12 110.152 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.97 -40.9 97.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.633 -0.712 . . . . 15.47 110.703 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.89 86.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.053 -0.521 . . . . 11.45 110.791 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.74 -39.26 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.171 -0.468 . . . . 24.98 109.918 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.03 -38.37 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 9.46 109.845 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -68.62 -19.04 64.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 14.76 110.72 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -81.18 -41.62 22.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.471 -0.331 . . . . 26.29 111.53 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -95.06 -32.1 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.464 0.542 . . . . 30.06 112.464 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -100.76 -39.48 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.588 0.232 . . . . 25.19 111.572 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 18.98 44.05 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.631 -0.795 . . . . 7.41 112.754 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.53 117.99 68.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.68 -0.306 . . . . 9.49 110.335 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.78 124.17 15.56 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.763 2.309 . . . . 11.42 112.314 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -49.04 -30.9 19.3 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.812 3.008 . . . . 12.0 113.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.0 -40.93 77.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 35.55 112.244 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -92.59 2.62 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 20.52 111.608 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -83.61 97.69 9.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.818 0.342 . . . . 7.13 111.148 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.521 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 10.3 tpp180 -96.83 96.32 8.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.58 -0.896 . . . . 36.39 108.58 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' B' ' 50' ' ' LEU . 29.1 mt -89.07 127.5 35.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 9.55 112.205 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 mm -119.17 136.97 54.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 115.264 -0.88 . . . . 13.9 109.614 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.597 ' CE2' HG12 ' B' ' 61' ' ' ILE . 88.5 t80 -152.59 137.38 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.613 0.244 . . . . 6.86 110.892 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 30.26 13.88 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.907 -0.588 . . . . 11.15 112.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.74 22.62 78.05 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.95 -0.643 . . . . 13.93 112.799 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -136.61 151.77 49.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.585 0.231 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.91 131.46 34.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.107 -0.497 . . . . 23.23 109.713 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' B' ' 45' ' ' PHE . 39.7 mt -84.35 122.45 28.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.718 0.294 . . . . 9.11 111.756 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.521 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 21.6 tt0 -78.33 138.41 38.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 33.44 109.724 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.3 -30.27 70.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.588 0.588 . . . . 28.37 112.588 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . 0.521 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -93.06 13.18 68.29 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 15.0 113.325 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.436 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.2 mmp_? -103.96 168.99 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.085 0.443 . . . . 25.5 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.9 p -110.68 165.73 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.619 . . . . 11.95 110.115 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 mt -63.85 -33.26 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 10.17 111.669 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -24.49 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.683 -0.235 . . . . 13.59 111.6 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 58.5 m-20 -63.49 -32.22 73.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.106 0.479 . . . . 11.7 111.014 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -105.74 9.12 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 12.95 111.333 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.09 48.3 10.82 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.37 0.605 . . . . 25.45 110.784 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.597 HG12 ' CE2' ' B' ' 45' ' ' PHE . 49.3 mt -85.82 119.4 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.016 -0.538 . . . . 14.6 110.113 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -97.82 -176.09 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 33.23 110.753 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -76.97 159.6 29.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.97 109.998 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.24 12.18 6.93 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.571 0.545 . . . . 32.61 111.974 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -76.77 150.18 36.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 10.56 109.676 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -113.83 103.85 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.328 0.585 . . . . 5.33 111.092 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.46 156.37 35.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.403 -0.817 . . . . 11.66 110.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -112.62 110.77 21.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.875 -0.417 . . . . 16.3 109.875 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -92.14 104.78 17.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 9.96 110.575 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.682 HG13 HD11 ' B' ' 8' ' ' LEU . 40.7 t -86.82 120.53 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.417 -0.811 . . . . 9.76 109.457 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.4 102.66 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.969 -0.56 . . . . 19.57 110.698 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.473 HH21 ' HB2' ' B' ' 74' ' ' ARG . 13.3 ttp180 -91.34 136.29 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.132 -0.485 . . . . 35.08 109.984 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.79 167.84 19.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 32.31 110.913 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.473 ' HB2' HH21 ' B' ' 72' ' ' ARG . 58.8 ttp180 -164.2 98.76 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 42.75 110.348 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.04 114.79 0.86 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.833 -0.699 . . . . 36.31 112.438 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 119.089 -0.839 . . . . 36.27 111.296 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.088 -0.338 . . . . 51.18 110.088 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.79 97.81 2.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.905 -0.405 . . . . 52.33 109.905 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 98.9 t -56.62 -51.29 82.38 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 115.97 -0.559 . . . . 45.08 112.274 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.527 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 31.3 Cg_exo -59.68 -32.38 95.71 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.853 1.702 . . . . 40.03 112.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.8 ttt-85 -76.21 -49.15 17.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 35.39 110.602 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 43.1 t30 -64.55 -42.12 95.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 39.28 111.44 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.13 -41.64 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.76 -0.459 . . . . 39.58 109.76 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.609 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 16.6 tpp85 -59.44 -46.05 89.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 38.87 109.75 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD13 ' HB2' ' A' ' 48' ' ' LEU . 68.7 mt -61.49 -39.11 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.76 -0.655 . . . . 22.45 110.67 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.05 -31.97 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 25.03 109.985 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.2 mt-10 -76.27 -40.2 52.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 36.37 110.007 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 9.2 mm-40 -57.52 -39.55 76.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.947 0.403 . . . . 25.08 110.051 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.99 -43.1 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.629 . . . . 28.37 109.692 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.56 -36.49 84.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.721 -0.672 . . . . 45.48 110.117 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 19.0 mm-40 -59.35 -42.28 91.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.959 0.409 . . . . 35.52 109.949 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.05 -36.11 80.06 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.793 -0.718 . . . . 31.25 111.484 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HA ' ' CE1' ' B' ' 45' ' ' PHE . 47.9 mt-30 -69.7 -32.81 71.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.125 0.488 . . . . 42.74 110.725 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -88.4 1.69 54.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.243 -0.435 . . . . 47.38 110.704 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.04 49.62 76.57 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.159 -0.544 . . . . 34.95 112.885 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.7 t -101.5 109.34 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.631 0.253 . . . . 28.2 110.584 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.4 -162.36 35.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.542 -0.837 . . . . 22.15 112.161 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -47.07 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 15.15 111.092 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.76 -42.46 1.26 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.638 -0.792 . . . . 12.29 112.289 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.42 HG22 HD22 ' B' ' 8' ' ' LEU . 39.9 p -89.91 -42.88 10.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 13.75 110.7 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 m -61.54 131.37 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.601 . . . . 14.12 111.012 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -139.13 138.54 37.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.923 -0.581 . . . . 14.51 110.36 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -138.67 160.3 39.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.925 -0.58 . . . . 16.01 110.224 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.82 -155.53 17.55 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.022 -0.609 . . . . 16.67 111.992 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -113.58 157.66 21.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.771 0.32 . . . . 25.73 110.713 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -110.46 -64.32 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 44.86 111.185 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.55 -29.93 59.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.499 -0.319 . . . . 55.38 111.467 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.5 10.39 0.22 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.225 1.01 . . . . 59.05 113.467 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.35 -31.36 13.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.128 0.489 . . . . 62.12 110.9 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -76.99 148.31 36.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.836 -0.62 . . . . 57.57 110.494 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.8 mtp -116.5 -2.75 11.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 49.86 111.994 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.5 p -75.47 -27.05 58.71 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.308 -0.627 . . . . 34.17 109.308 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' HB2' HD13 ' A' ' 20' ' ' LEU . 47.3 mt 57.14 40.21 28.42 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 114.725 -1.125 . . . . 26.52 111.661 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -83.52 -29.15 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 22.44 110.459 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 -103.83 131.67 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 40.81 110.081 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.412 ' HE1' HD22 ' A' ' 20' ' ' LEU . 45.4 m95 -124.93 140.11 53.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 18.23 111.538 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.6 m -92.39 116.58 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.499 -0.773 . . . . 26.25 110.519 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.45 144.91 18.6 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.481 -0.866 . . . . 14.96 111.709 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ttp -138.06 128.1 25.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.11 -0.33 . . . . 21.59 110.11 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.62 130.33 69.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.11 0.481 . . . . 12.92 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -84.97 118.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.628 -0.714 . . . . 12.18 109.15 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.34 117.32 3.71 Favored Glycine 0 N--CA 1.452 -0.254 0 O-C-N 123.622 0.576 . . . . 13.21 113.226 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.2 Cg_exo -57.92 126.77 22.7 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.195 2.597 . . . . 14.44 112.583 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 29.6 Cg_exo -63.03 156.59 53.8 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.312 2.008 . . . . 17.43 112.203 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 68.19 21.31 8.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.772 -0.649 . . . . 32.61 111.918 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.2 p -133.59 178.9 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.758 -0.46 . . . . 17.94 109.758 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -79.12 -2.61 41.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 18.91 110.851 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 60.7 m-85 -105.96 6.24 31.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.36 0.6 . . . . 16.86 109.739 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.56 138.75 57.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.257 -0.883 . . . . 37.17 113.275 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 t30 62.66 19.59 11.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.809 -1.087 . . . . 30.81 112.754 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -105.87 144.36 32.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.991 0.424 . . . . 25.62 110.662 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.0 mt -107.72 106.28 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.521 -0.548 . . . . 19.36 109.521 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.0 m-85 -94.92 132.15 40.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 12.92 111.818 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.13 129.04 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.401 -0.818 . . . . 13.09 109.933 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -121.94 147.27 46.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.018 0.437 . . . . 13.47 111.364 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -124.62 105.87 9.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.886 -0.783 . . . . 33.44 108.886 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.96 130.89 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 19.18 111.046 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.02 117.62 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.135 -0.484 . . . . 42.22 110.287 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.0 m -104.5 99.75 9.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 25.59 109.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.33 -168.94 15.19 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.171 -0.538 . . . . 26.42 113.625 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.66 -12.27 30.93 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.418 2.746 . . . . 31.44 112.885 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -91.14 -8.56 48.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.62 0.248 . . . . 44.64 110.857 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -73.75 140.69 78.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 29.6 109.576 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.435 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 16.2 Cg_endo -96.86 18.33 31.91 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 124.7 -0.958 . . . . 27.94 113.202 -0.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.74 -35.1 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.154 0.502 . . . . 36.76 110.335 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.49 156.92 46.93 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.686 -0.688 . . . . 30.58 109.707 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -65.85 130.23 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.613 2.209 . . . . 28.58 112.537 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.07 169.52 21.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.59 2.193 . . . . 20.75 111.758 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -88.2 114.54 24.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.683 0.278 . . . . 29.16 110.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.17 132.39 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 20.48 110.947 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -150.77 150.87 31.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 41.41 110.356 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -96.29 146.01 25.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 16.6 110.505 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.0 t -95.79 -37.99 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.284 0.564 . . . . 18.03 109.522 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.88 144.07 26.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.52 -0.764 . . . . 15.79 109.843 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 80.1 mttt -65.04 119.69 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 35.04 110.943 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.504 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.8 tt -134.53 130.89 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.706 -0.679 . . . . 14.88 110.653 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -100.28 84.96 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.104 -0.702 . . . . 14.21 109.104 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.8 ttt -133.8 141.99 47.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.214 -0.903 . . . . 15.6 109.761 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.42 113.71 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 27.45 111.397 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.9 -25.6 6.75 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 23.3 112.199 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG13 HG22 ' A' ' 103' ' ' VAL . 3.6 mp -96.74 129.33 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.437 . . . . 22.53 110.653 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -66.4 138.29 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.677 -0.692 . . . . 26.32 109.867 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -81.52 -14.26 57.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.879 0.696 . . . . 22.69 112.879 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 m -100.15 -55.83 2.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.814 -0.354 . . . . 31.16 111.952 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -86.93 -37.0 18.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.777 0.322 . . . . 30.09 111.576 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.13 10.42 57.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.596 -0.811 . . . . 25.64 112.088 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mtp -76.87 149.29 36.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.304 -0.258 . . . . 38.85 110.304 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 96' ' ' ILE . 3.6 t -99.58 129.41 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.387 -0.369 . . . . 25.28 111.182 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.39 116.15 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 34.12 110.045 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.78 75.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 29.16 112.207 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 106' ' ' ARG . 14.4 mtm180 -67.55 -26.7 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 52.63 111.705 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -82.75 -18.5 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.74 0.305 . . . . 34.05 111.401 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 111' ' ' LEU . 33.6 mm -101.26 120.79 53.98 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.247 -0.279 . . . . 26.63 110.247 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -50.17 -51.58 10.66 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.377 2.718 . . . . 26.05 114.148 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.6 m -69.28 -16.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.768 0.655 . . . . 25.84 112.768 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 62.7 mt -93.87 -41.67 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.397 . . . . 23.97 110.145 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.66 80.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.306 0.574 . . . . 28.65 109.658 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -109.32 44.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.891 -0.781 . . . . 39.1 108.891 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -60.65 140.4 57.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.05 -0.977 . . . . 29.08 112.429 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -130.66 146.14 52.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.527 -1.215 . . . . 45.36 108.018 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 15.5 p-10 -68.83 -1.65 7.68 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.077 0.399 . . . . 37.64 112.077 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -4.93 57.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.142 0.496 . . . . 26.71 110.082 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -93.08 167.32 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 23.06 110.606 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p -150.41 -176.15 5.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.847 -0.615 . . . . 17.53 110.222 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 9.0 mt -57.75 -40.37 75.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.216 -0.447 . . . . 14.03 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 38.2 ttpt -55.75 -46.94 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.655 . . . . 24.78 110.946 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.64 -42.9 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 17.36 111.04 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.2 t -59.91 -48.57 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 14.42 110.961 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.38 -41.96 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 11.53 111.031 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 21.7 mt-30 -66.04 -42.81 89.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 16.85 111.137 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.27 -43.77 90.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 30.3 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.53 -43.69 89.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 14.04 110.772 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -66.3 -33.72 76.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.437 -0.347 . . . . 10.15 110.772 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.51 -41.15 96.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.67 -0.493 . . . . 27.05 109.67 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.79 -18.22 62.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.746 . . . . 17.72 110.923 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.5 mtt -75.89 -22.25 56.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.262 0.553 . . . . 18.11 109.605 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.9 mtm -95.74 6.29 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.68 -0.691 . . . . 22.93 110.054 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.5 m -74.73 142.93 44.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.853 -0.612 . . . . 25.92 109.448 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -49.66 -39.1 35.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.981 0.734 . . . . 29.78 112.981 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -73.16 -17.79 61.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.347 0.869 . . . . 28.22 113.347 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -112.97 -37.48 4.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.596 0.591 . . . . 18.41 112.596 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 24.8 ptm -54.76 -20.7 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.695 0.998 . . . . 20.97 113.695 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -117.3 18.93 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.127 0.417 . . . . 35.29 112.127 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 20.9 mt -79.53 136.02 56.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 120.994 -0.282 . . . . 15.71 110.379 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 24.3 Cg_exo -63.16 109.51 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.547 2.164 . . . . 19.11 111.667 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -85.53 147.98 48.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 20.51 111.0 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.07 167.41 27.04 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.587 2.191 . . . . 26.0 111.031 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -44.82 128.42 8.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.161 2.574 . . . . 30.09 112.879 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.05 130.42 46.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.537 -0.756 . . . . 46.96 111.276 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.46 11.77 46.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.511 -0.852 . . . . 36.35 113.35 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -93.48 132.87 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.277 0.539 . . . . 36.19 110.268 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.4 p -109.98 160.0 16.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.811 0.338 . . . . 36.38 111.221 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.462 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 25.9 m-85 -83.39 -5.97 59.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 44.37 110.591 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -147.99 151.08 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.042 -0.526 . . . . 53.87 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.257 -0.877 . . . . 55.71 110.863 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.215 -0.291 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -92.18 126.74 37.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 21.89 111.493 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -124.94 171.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.098 -0.704 . . . . 10.83 109.098 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.8 m-85 -127.58 137.17 52.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.036 0.446 . . . . 10.61 110.862 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.06 115.68 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.078 -0.712 . . . . 9.13 109.078 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -112.27 128.14 56.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.508 -0.314 . . . . 20.55 110.928 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -88.29 -177.68 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 11.78 110.654 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.689 HD11 HG13 ' B' ' 70' ' ' VAL . 22.5 mt -79.28 -6.24 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 19.31 111.223 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -5.89 44.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 23.14 110.273 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.71 -14.09 62.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 19.74 112.239 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -60.4 120.68 10.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 21.93 110.146 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -117.25 120.21 37.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.483 . . . . 12.33 110.58 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 pt -112.95 145.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 17.08 110.721 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -91.15 135.41 33.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.031 -0.531 . . . . 16.3 109.997 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' B' ' 29' ' ' LYS . 20.8 tp -137.1 144.88 43.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.168 -0.308 . . . . 15.88 110.168 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -114.81 117.73 31.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.186 0.517 . . . . 28.9 110.49 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.0 m -143.21 171.13 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.574 -0.739 . . . . 12.05 109.948 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 54.7 mm-40 -106.77 153.47 40.73 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.068 -0.345 . . . . 18.17 110.068 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.51 76.18 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.715 2.276 . . . . 8.16 113.2 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -82.21 -2.36 52.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 11.13 111.845 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.3 m-20 -70.89 143.7 50.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 18.03 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.4 p -83.28 150.91 25.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.547 -0.751 . . . . 10.22 110.205 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.96 -32.21 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.431 0.634 . . . . 12.3 109.591 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.74 -43.36 96.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.504 -0.771 . . . . 36.51 110.401 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.09 -35.84 82.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.048 0.452 . . . . 25.66 110.008 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.24 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.848 -0.615 . . . . 8.12 109.631 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.54 -39.93 89.69 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.968 -0.56 . . . . 15.47 110.391 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.64 98.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.727 -0.669 . . . . 11.45 110.805 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.438 ' HB3' HD11 ' B' ' 15' ' ' LEU . 63.8 mttt -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.836 -0.431 . . . . 24.98 109.836 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.19 -41.96 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 9.46 110.054 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -70.44 -28.53 65.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 14.76 110.384 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.72 -46.92 62.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 26.29 111.724 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -88.79 -36.31 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.983 0.734 . . . . 30.06 112.983 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -94.25 -58.47 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.766 0.317 . . . . 25.19 110.945 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.08 13.38 6.5 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.457 -0.878 . . . . 7.41 113.077 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -88.2 117.15 68.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 122.685 -0.303 . . . . 9.49 110.463 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 40.7 Cg_exo -58.56 132.96 51.39 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.648 2.232 . . . . 11.42 112.157 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.3 Cg_exo -55.72 -26.02 54.18 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.295 2.663 . . . . 12.0 113.217 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.43 -39.1 72.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.474 . . . . 35.55 111.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -101.74 14.09 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.342 . . . . 20.52 111.077 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.59 96.58 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 7.13 111.101 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.61 ' HE ' HD11 ' B' ' 44' ' ' ILE . 38.4 ttt180 -100.69 94.76 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.82 -0.807 . . . . 36.39 108.82 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.563 ' HB3' HD12 ' B' ' 50' ' ' LEU . 34.1 mt -77.86 121.94 24.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.204 0.526 . . . . 9.55 111.03 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.61 HD11 ' HE ' ' B' ' 42' ' ' ARG . 26.6 mm -117.49 126.61 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.333 -0.848 . . . . 13.9 109.774 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 28' ' ' GLN . 90.4 t80 -158.43 151.15 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.599 -0.273 . . . . 6.86 110.647 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 23.45 13.67 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.968 -0.56 . . . . 11.15 112.041 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.46 16.57 80.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.913 -0.66 . . . . 13.93 112.679 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -140.67 177.67 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.894 0.378 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.476 ' HA ' HD13 ' B' ' 44' ' ' ILE . 4.6 tt0 -96.87 135.06 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 23.23 110.198 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' B' ' 43' ' ' LEU . 20.7 mt -89.22 122.43 32.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.208 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.434 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 0.9 OUTLIER -84.37 150.54 25.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.991 -0.549 . . . . 33.44 110.538 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.21 -43.8 90.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.213 0.82 . . . . 28.37 113.213 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 35.43 2.66 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.999 -0.619 . . . . 15.0 114.076 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.434 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 17.4 mmt180 -127.91 167.35 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.426 -0.455 . . . . 25.5 110.029 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 p -108.05 170.86 7.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.432 -0.349 . . . . 11.95 110.639 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 93.8 mt -64.98 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.981 0.42 . . . . 10.17 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -13.26 61.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 13.59 111.405 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -78.35 -18.47 55.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.697 0.284 . . . . 11.7 110.958 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.24 16.2 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 12.95 111.173 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 58.88 34.94 23.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.397 0.618 . . . . 25.45 111.271 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.7 mt -83.11 107.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.408 -0.589 . . . . 14.6 109.408 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -109.8 -166.75 1.12 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.923 -0.58 . . . . 33.23 110.289 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -68.59 154.56 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.51 -0.314 . . . . 25.97 110.635 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 69.24 -2.3 1.88 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.862 -0.608 . . . . 32.61 112.629 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -72.63 139.02 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.949 -0.389 . . . . 10.56 109.949 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 25.7 m -113.54 109.34 18.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.254 0.549 . . . . 5.33 110.563 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.77 149.6 26.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 11.66 110.498 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -95.65 104.78 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.572 -0.529 . . . . 16.3 109.572 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.59 102.19 13.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 9.96 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.689 HG13 HD11 ' B' ' 8' ' ' LEU . 21.3 t -91.37 122.81 43.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.771 -0.65 . . . . 9.76 110.763 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 tp -78.54 107.53 11.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.651 -0.5 . . . . 19.57 109.651 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -71.75 118.12 14.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.275 -0.421 . . . . 35.08 109.907 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.8 120.86 10.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 32.31 111.128 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -136.89 106.33 6.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.973 -0.558 . . . . 42.75 110.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.66 69.69 0.88 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.529 -0.843 . . . . 36.31 111.986 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 N-CA-C 110.973 -0.851 . . . . 36.27 110.973 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.8 0.333 . . . . 51.18 110.181 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -75.29 100.06 4.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.42 -0.355 . . . . 52.33 110.33 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 21.7 t -61.26 -51.11 80.51 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.072 -0.513 . . . . 45.08 111.958 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.527 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 50.4 Cg_exo -55.81 -45.62 37.57 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.753 1.635 . . . . 40.03 112.196 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -64.88 -47.15 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.089 -0.505 . . . . 35.39 110.289 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 28.0 t-20 -61.51 -45.6 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 39.28 110.786 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -59.93 -45.75 91.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 39.58 110.59 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 1.9 tpp85 -59.46 -44.46 92.99 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.7 -0.481 . . . . 38.87 109.7 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 48' ' ' LEU . 69.1 mt -66.01 -37.62 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.621 -0.718 . . . . 22.45 111.141 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 55.0 mt -61.33 -46.36 90.6 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.149 0.499 . . . . 25.03 109.825 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 41.9 mt-10 -63.82 -42.0 97.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.686 -0.688 . . . . 36.37 110.512 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 29.6 mt-10 -66.33 -32.82 74.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.964 0.411 . . . . 25.08 110.35 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.96 -44.95 75.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 28.37 109.847 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.24 -32.75 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.522 -0.763 . . . . 45.48 110.193 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 36.0 mt-10 -61.13 -39.59 90.61 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.366 -0.379 . . . . 35.52 110.552 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.81 -32.6 81.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.921 -0.657 . . . . 31.25 112.056 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -80.06 -31.56 39.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.21 0.528 . . . . 42.74 110.327 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.48 0.56 41.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 47.38 110.648 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.63 39.19 96.2 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.91 -0.586 . . . . 34.95 113.045 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.9 137.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 28.2 111.487 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.99 -177.17 17.63 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.004 -0.617 . . . . 22.15 112.269 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -69.41 -37.37 77.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 15.15 109.988 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.95 -15.6 4.55 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.691 -0.766 . . . . 12.29 112.997 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 56' ' ' ILE . 37.1 p -83.98 -7.77 59.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 13.75 111.481 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 m -120.85 129.04 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.813 -0.63 . . . . 14.12 110.128 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.9 m -142.36 140.43 32.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 14.51 110.408 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -144.62 179.27 7.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.431 -0.349 . . . . 16.01 110.7 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -179.65 44.03 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.624 -0.59 . . . . 16.67 111.624 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 134.53 41.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.081 0.441 . . . . 25.73 110.119 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.72 -60.78 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.374 -0.376 . . . . 44.86 110.765 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 12.0 t70 -74.76 -40.12 61.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 55.38 111.431 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 9.0 t70 75.54 -44.59 0.52 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.346 0.659 . . . . 59.05 111.187 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -75.02 -45.45 41.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.063 0.459 . . . . 62.12 110.138 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.38 108.66 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.715 -0.675 . . . . 57.57 109.499 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.4 mtt -81.87 23.02 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.291 0.849 . . . . 49.86 113.291 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.1 p -80.46 -23.52 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.424 -0.584 . . . . 34.17 109.424 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HB2' HD13 ' A' ' 20' ' ' LEU . 1.8 mt 57.81 37.18 26.99 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 114.681 -1.145 . . . . 26.52 111.247 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 74' ' ' CYS . 36.2 m -93.13 -39.1 11.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 22.44 110.553 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -100.67 122.13 42.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 40.81 110.624 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -122.69 151.82 41.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.996 -0.547 . . . . 18.23 111.007 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -112.5 141.48 46.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.307 -0.627 . . . . 26.25 109.307 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.68 145.53 17.57 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.753 -0.736 . . . . 14.96 111.489 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' MET . . . . . 0.43 ' SD ' HG23 ' A' ' 67' ' ' ILE . 2.7 ttp -135.2 124.96 25.36 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.832 -0.433 . . . . 21.59 109.832 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.97 126.66 68.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.121 -0.49 . . . . 12.92 110.408 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.506 HD13 HG21 ' B' ' 70' ' ' VAL . 0.5 OUTLIER -89.39 107.47 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.834 -0.802 . . . . 12.18 108.834 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -49.98 137.17 23.55 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.811 -0.631 . . . . 13.21 114.415 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 56.9 Cg_endo -71.43 140.72 37.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.229 2.62 . . . . 14.44 112.543 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 16.6 Cg_exo -67.74 166.79 23.06 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.536 2.157 . . . . 17.43 112.198 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 71.12 14.64 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.797 -0.638 . . . . 32.61 111.189 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -134.4 -178.65 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.127 -0.694 . . . . 17.94 109.127 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -77.61 -5.81 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.084 0.469 . . . . 18.91 110.32 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.541 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 11.8 m-85 -104.18 13.26 32.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 16.86 109.679 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.6 109.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.674 0.62 . . . . 37.17 112.674 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 57.2 29.32 16.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.482 -0.781 . . . . 30.81 111.176 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.4 123.85 35.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.648 -0.501 . . . . 25.62 109.648 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.43 HG23 ' SD ' ' A' ' 54' ' ' MET . 78.9 mt -84.97 112.68 22.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.379 -0.373 . . . . 19.36 111.039 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 42.4 m-85 -108.15 121.35 44.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.075 -0.343 . . . . 12.92 110.075 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -94.6 131.89 39.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 13.09 110.66 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -125.88 155.7 40.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 13.47 110.653 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.63 121.42 27.0 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.551 -0.907 . . . . 33.44 108.551 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.5 t -113.28 128.72 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.032 0.444 . . . . 19.18 111.353 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.55 105.28 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 42.22 109.457 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' CYS . . . . . 0.46 ' O ' HG23 ' A' ' 49' ' ' THR . 55.7 m -88.56 100.93 13.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 25.59 110.291 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 -178.38 17.53 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.916 -0.583 . . . . 26.42 113.497 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.63 -6.64 18.3 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.214 2.61 . . . . 31.44 112.558 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -93.06 -6.69 47.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.613 -0.267 . . . . 44.64 110.87 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.4 t80 -67.29 139.78 94.99 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 109.566 -0.531 . . . . 29.6 109.566 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.52 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 65.3 Cg_endo -99.26 21.16 23.2 Favored 'Cis proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.192 0.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -70.88 -41.5 71.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.845 0.355 . . . . 36.76 111.128 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.75 154.42 43.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.016 -0.538 . . . . 30.58 110.255 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.98 129.21 18.0 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.572 2.182 . . . . 28.58 112.293 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.02 171.73 17.35 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.552 2.168 . . . . 20.75 111.732 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.17 114.87 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.706 0.289 . . . . 29.16 110.439 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.98 129.42 69.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 20.48 110.645 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -146.35 159.2 43.69 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.758 0.313 . . . . 41.41 110.732 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -102.16 143.46 31.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 16.6 110.857 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.79 -43.97 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.549 -0.537 . . . . 18.03 109.549 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.2 143.47 28.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.672 -0.694 . . . . 15.79 109.779 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 71.8 mttt -65.61 125.55 25.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 35.04 111.407 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.9 tt -141.37 130.53 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 14.88 110.339 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.98 84.82 3.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.985 0.421 . . . . 14.21 110.014 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.572 ' HB3' HD12 ' A' ' 96' ' ' ILE . 3.9 ttp -126.63 146.04 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 15.6 110.001 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.19 113.36 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 27.45 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.71 -9.41 14.52 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.716 -0.754 . . . . 23.3 112.673 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.572 HD12 ' HB3' ' A' ' 93' ' ' MET . 33.8 mt -111.04 135.39 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.913 0.387 . . . . 22.53 111.131 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.29 132.96 41.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 26.32 109.327 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -83.55 -0.63 51.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.215 0.82 . . . . 22.69 113.215 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m -102.23 -59.27 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.972 -0.455 . . . . 31.16 111.53 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.91 -26.12 17.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.891 0.33 . . . . 30.09 111.891 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.99 21.53 35.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.494 -0.86 . . . . 25.64 112.009 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.5 mtp -82.3 139.38 34.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.787 0.327 . . . . 38.85 110.613 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.0 t -100.28 129.01 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 25.28 110.601 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 34.3 t0 -70.53 119.58 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 34.12 110.629 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.41 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 29.16 112.652 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.586 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 14.3 ptt-85 -74.18 -4.08 33.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 52.63 111.694 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 m -96.45 -12.46 24.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.183 0.516 . . . . 34.05 110.209 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.41 HG22 HG22 ' A' ' 110' ' ' VAL . 22.2 mm -111.39 118.92 46.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.586 -0.524 . . . . 26.63 109.586 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.76 -44.81 25.76 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.347 2.698 . . . . 26.05 114.438 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 108' ' ' ILE . 28.0 m -71.26 -25.27 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.428 0.529 . . . . 25.84 112.428 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.84 -38.72 14.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.838 0.351 . . . . 23.97 110.642 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.09 89.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.111 0.482 . . . . 28.65 110.265 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 57.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.799 -0.815 . . . . 39.1 108.799 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -66.09 139.66 58.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.487 -0.779 . . . . 29.08 112.261 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -128.32 148.8 50.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.774 -1.103 . . . . 45.36 108.513 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 30.0 p30 -67.42 -13.16 61.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.102 0.477 . . . . 37.64 110.79 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 0.26 35.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.956 -0.565 . . . . 26.71 110.406 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -91.09 -177.34 4.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.084 -0.507 . . . . 23.06 110.074 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 p -166.8 -179.17 4.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.914 -0.584 . . . . 17.53 109.749 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.7 mt -64.89 -34.6 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 14.03 109.742 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -59.9 -42.17 93.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.357 -0.838 . . . . 24.78 109.445 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.63 -39.69 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 17.36 110.832 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.18 -49.55 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 14.42 111.027 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.95 -41.28 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 11.53 111.186 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.32 -40.7 96.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.913 0.387 . . . . 16.85 110.62 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 30.3 110.727 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.18 -44.73 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 14.04 111.326 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -63.71 -34.08 77.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.721 0.296 . . . . 10.15 110.835 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -68.49 -38.23 80.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 27.05 109.849 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.22 -23.02 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.467 -0.788 . . . . 17.72 110.871 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.6 mtt -75.4 -18.76 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.263 0.554 . . . . 18.11 109.779 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.78 -0.55 55.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 22.93 110.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -65.72 147.06 54.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 25.92 110.491 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -54.47 -37.34 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 29.78 111.55 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -87.26 14.39 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.762 0.652 . . . . 28.22 112.762 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -137.12 -37.34 0.65 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.396 0.517 . . . . 18.41 112.396 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.3 ptm -61.23 -21.34 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.656 0.984 . . . . 20.97 113.656 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -121.39 30.65 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.353 0.501 . . . . 35.29 112.353 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 39.8 mt -89.32 141.97 29.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.836 -0.431 . . . . 15.71 109.836 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 35.7 Cg_exo -60.64 123.74 13.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.577 2.185 . . . . 19.11 111.103 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.9 143.87 27.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.808 0.337 . . . . 20.51 111.646 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.18 157.76 60.42 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 122.475 2.116 . . . . 26.0 111.601 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.55 130.16 21.4 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.132 2.555 . . . . 30.09 112.591 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.65 133.6 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 46.96 110.9 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.88 -12.11 32.16 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.598 -0.81 . . . . 36.35 112.229 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.34 123.79 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.989 0.424 . . . . 36.19 110.769 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.22 147.38 36.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.936 -0.575 . . . . 36.38 110.42 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 55.2 m-85 -66.27 -38.26 87.4 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.38 -0.6 . . . . 44.37 109.38 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -113.96 127.69 56.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.436 -0.802 . . . . 53.87 109.573 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.001 -0.999 . . . . 55.71 110.59 -179.283 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.069 -0.345 . . . . 17.17 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -97.13 119.92 36.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 21.89 111.036 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -110.6 168.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.519 -0.548 . . . . 10.83 109.519 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' B' ' 66' ' ' THR . 60.9 m-85 -118.19 138.54 52.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.726 0.298 . . . . 10.61 110.267 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.4 t -123.64 112.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.486 -0.561 . . . . 9.13 109.486 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -107.59 120.45 42.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.928 0.394 . . . . 20.55 111.227 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 0.7 OUTLIER -85.88 159.25 19.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.811 -0.631 . . . . 11.78 109.318 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.515 HD11 HG13 ' B' ' 70' ' ' VAL . 9.8 mt -59.03 -19.68 46.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.949 0.404 . . . . 19.31 111.468 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -21.71 62.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.464 . . . . 23.14 111.039 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.84 -4.73 30.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 19.74 112.518 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -79.63 123.98 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.863 0.363 . . . . 21.93 110.697 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -113.99 107.93 16.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.166 -0.47 . . . . 12.33 109.923 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -101.41 166.19 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.997 -0.547 . . . . 17.08 111.213 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 148.41 32.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.979 -0.555 . . . . 16.3 109.825 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -142.13 128.85 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.834 0.349 . . . . 15.88 111.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -94.55 103.91 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 28.9 109.749 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.34 168.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 12.05 111.365 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 82.0 mm-40 -112.17 153.12 44.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 18.17 109.808 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.98 -18.83 52.45 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.92 2.413 . . . . 8.16 113.115 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -1.15 57.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.147 -0.479 . . . . 11.13 111.526 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -82.23 154.97 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 18.03 111.437 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 46.0 p -91.67 154.46 18.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.22 110.565 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.51 -30.08 48.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.213 0.53 . . . . 12.3 110.098 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.36 -47.38 86.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.527 -0.76 . . . . 36.51 110.527 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -66.36 -31.95 73.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 25.66 110.16 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.01 -46.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 8.12 109.744 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.24 -34.4 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.617 -0.72 . . . . 15.47 110.666 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.92 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 11.45 110.747 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.97 -40.27 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 24.98 110.057 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.64 -38.03 81.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.55 . . . . 9.46 109.791 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -66.52 -33.88 76.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 14.76 110.636 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.08 -41.2 74.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 26.29 112.281 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -92.55 -47.67 7.01 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.13 0.789 . . . . 30.06 113.13 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -86.57 -24.22 25.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.312 0.486 . . . . 25.19 112.312 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.88 11.35 79.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.523 -0.846 . . . . 7.41 112.403 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.2 mt -86.07 119.25 71.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.36 -0.237 . . . . 9.49 110.36 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 28.6 Cg_exo -61.78 133.67 46.26 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.479 2.119 . . . . 11.42 112.205 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.5 Cg_exo -57.63 -24.04 60.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.101 2.534 . . . . 12.0 112.597 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.92 -22.33 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.596 . . . . 35.55 110.866 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.511 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 12.6 mt-30 -109.61 15.43 22.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 20.52 110.501 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -104.93 120.2 40.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 7.13 111.796 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 1.4 tpp180 -118.72 106.35 12.48 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.417 -0.957 . . . . 36.39 108.417 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.5 mt -92.76 113.22 25.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 9.55 111.49 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.95 127.34 66.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.558 -0.747 . . . . 13.9 109.865 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' B' ' 50' ' ' LEU . 55.4 t80 -156.9 149.45 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.856 -0.156 . . . . 6.86 110.869 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.64 29.35 13.47 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.812 0.695 . . . . 11.15 111.884 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.91 32.91 78.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.035 -0.602 . . . . 13.93 112.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -150.21 177.6 9.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.951 0.405 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 tm0? -106.51 128.65 54.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.758 -0.656 . . . . 23.23 109.891 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' B' ' 43' ' ' LEU . 21.1 mt -82.6 111.74 18.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.515 -0.311 . . . . 9.11 110.331 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.469 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 24.1 tt0 -73.41 134.05 43.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.478 -0.328 . . . . 33.44 110.35 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.48 -41.8 69.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 28.37 111.942 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 -7.09 82.28 Favored Glycine 0 CA--C 1.52 0.392 0 CA-C-N 116.012 -0.54 . . . . 15.0 114.228 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -93.87 173.28 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.611 0.706 . . . . 25.5 110.661 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.9 p -104.69 168.88 8.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 11.95 111.129 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.6 mt -66.3 -31.58 72.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 10.17 110.597 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -18.51 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.543 . . . . 13.59 111.431 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.7 m-20 -61.91 -35.82 79.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.95 0.405 . . . . 11.7 111.225 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -107.82 15.17 24.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 12.95 111.358 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 t30 56.86 43.16 25.38 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.774 -0.648 . . . . 25.45 111.41 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -79.28 116.34 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.697 -0.483 . . . . 14.6 109.697 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -92.95 -177.64 4.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 33.23 111.322 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -79.65 159.58 26.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.648 . . . . 25.97 109.936 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.5 8.06 2.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.84 0.456 . . . . 32.61 112.228 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.1 m -80.46 144.18 32.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.857 -0.423 . . . . 10.56 109.857 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -104.36 106.81 17.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.018 0.437 . . . . 5.33 111.724 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.92 142.45 40.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.795 -0.639 . . . . 11.66 109.521 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -91.12 106.8 18.77 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.556 -0.535 . . . . 16.3 109.556 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' B' ' 7' ' ' THR . 47.6 tp -92.27 106.63 18.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 9.96 111.085 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.515 HG13 HD11 ' B' ' 8' ' ' LEU . 1.9 t -96.79 130.12 45.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.454 -0.943 . . . . 9.76 108.454 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 tp -86.95 123.45 32.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 19.57 111.602 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.511 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 63.4 ttp85 -86.8 123.03 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.163 -0.68 . . . . 35.08 109.163 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.78 113.37 20.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.115 0.483 . . . . 32.31 110.738 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -111.45 112.69 24.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.738 -0.665 . . . . 42.75 110.05 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.67 54.97 2.52 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.638 -0.791 . . . . 36.31 111.572 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 CA-C-O 119.025 -0.875 . . . . 36.27 111.653 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.052 -0.351 . . . . 51.18 110.052 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.34 94.88 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.504 -0.316 . . . . 52.33 110.171 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 6.2 t -57.37 -51.02 84.79 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.5 0.556 . . . . 45.08 112.5 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 32.5 Cg_exo -58.29 -38.81 89.15 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.871 1.714 . . . . 40.03 112.06 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 ttt180 -70.88 -45.89 63.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 35.39 110.404 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -55.65 -53.06 61.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 39.28 111.146 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 30.7 t80 -65.77 -36.23 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.371 . . . . 39.58 110.731 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HD2' HH11 ' A' ' 19' ' ' ARG . 8.6 tpp85 -59.97 -44.49 94.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 38.87 109.919 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 73.7 mt -63.95 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.649 . . . . 22.45 110.229 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.14 -36.88 85.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.148 -0.478 . . . . 25.03 110.74 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 18' ' ' PHE . 38.3 mt-10 -64.96 -54.65 27.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 36.37 110.158 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.83 -37.28 76.07 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.897 -0.592 . . . . 25.08 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.05 -50.34 64.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.518 -0.764 . . . . 28.37 110.86 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.22 -40.6 96.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 45.48 111.062 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.51 -51.15 70.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.838 0.351 . . . . 35.52 110.263 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.67 -39.09 95.17 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.831 -0.622 . . . . 31.25 112.361 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -20.87 64.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 42.74 110.921 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -93.46 -2.32 54.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.419 -0.355 . . . . 47.38 110.359 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.74 10.15 81.77 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.066 -0.588 . . . . 34.95 114.157 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.07 119.74 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.052 0.426 . . . . 28.2 110.462 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.42 176.34 37.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.487 -0.863 . . . . 22.15 112.494 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.1 -55.16 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.156 0.503 . . . . 15.15 111.106 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.22 -36.28 2.16 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.798 -0.715 . . . . 12.29 111.667 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.413 ' O ' HG13 ' A' ' 56' ' ' ILE . 42.5 p -78.19 -14.16 59.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.464 0.65 . . . . 13.75 110.349 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -141.76 144.95 24.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.027 -0.988 . . . . 14.12 109.242 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m -155.92 159.35 39.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.451 -0.203 . . . . 14.51 110.451 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -131.3 167.76 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 16.01 110.548 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.05 -171.89 34.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 16.67 111.935 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 43' ' ' ASP . 1.6 mt -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.809 0.338 . . . . 25.73 111.192 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -122.27 34.66 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.515 . . . . 44.86 110.313 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.523 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 8.9 t70 -163.71 -51.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 55.38 111.638 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.523 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 3.8 t70 76.98 -46.8 0.51 Allowed 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.834 0.709 . . . . 59.05 111.538 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -72.14 -46.51 56.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 62.12 110.71 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -59.4 120.06 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.748 -0.66 . . . . 57.57 110.97 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 mtt -93.17 -1.64 56.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 49.86 111.803 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -79.75 -23.67 42.1 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.446 -0.502 . . . . 34.17 109.978 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 52.43 66.86 1.09 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.21 -0.905 . . . . 26.52 111.32 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -101.88 -40.34 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 22.44 111.652 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -98.72 113.67 25.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.746 0.307 . . . . 40.81 110.55 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -109.39 143.87 38.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.261 0.553 . . . . 18.23 110.7 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -91.23 132.0 36.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.672 -0.695 . . . . 26.25 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.7 146.46 16.37 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.925 -0.87 . . . . 14.96 110.925 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 ttp -144.6 129.51 18.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.107 0.454 . . . . 21.59 110.583 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.13 124.9 73.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.83 -0.623 . . . . 12.92 110.262 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.484 HD13 HG21 ' B' ' 70' ' ' VAL . 1.9 mt -90.7 115.96 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.286 -0.635 . . . . 12.18 109.286 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.674 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -46.82 125.85 9.47 Favored Glycine 0 CA--C 1.522 0.494 0 O-C-N 123.867 0.729 . . . . 13.21 114.256 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 23.7 Cg_exo -65.55 138.66 55.44 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.989 2.46 . . . . 14.44 112.5 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 24.7 Cg_exo -63.82 160.6 36.26 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.551 2.168 . . . . 17.43 112.403 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 67.42 18.79 10.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.581 -0.736 . . . . 32.61 111.952 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 177.56 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 17.94 110.108 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -73.58 -13.65 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 18.91 110.323 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.674 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 55.6 m-85 -95.27 -2.49 49.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 16.86 110.707 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.17 132.2 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.644 0.609 . . . . 37.17 112.644 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 t30 63.99 22.29 12.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.08 -0.964 . . . . 30.81 112.152 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -111.44 125.21 53.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.921 0.391 . . . . 25.62 110.845 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -92.94 109.75 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.15 -0.477 . . . . 19.36 109.942 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.477 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 57.4 m-85 -101.0 121.51 41.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.223 -0.444 . . . . 12.92 111.056 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -90.8 134.6 34.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.679 -0.691 . . . . 13.09 109.901 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD21 ' CZ ' ' A' ' 87' ' ' PHE . 6.1 mp -126.9 160.18 31.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.121 0.486 . . . . 13.47 111.164 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.06 122.65 27.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.465 -0.789 . . . . 33.44 109.034 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.54 123.35 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.983 0.421 . . . . 19.18 110.81 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.19 122.4 46.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.092 -0.504 . . . . 42.22 109.967 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 50.5 m -89.34 138.54 31.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.924 -0.58 . . . . 25.59 110.582 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.13 178.52 46.48 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.808 -0.711 . . . . 26.42 112.266 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.19 -5.88 17.94 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.827 2.351 . . . . 31.44 113.264 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -109.87 14.99 22.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 44.64 110.66 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.7 t80 -72.93 141.87 82.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.394 -0.595 . . . . 29.6 109.394 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 83.6 Cg_endo -97.0 25.52 21.12 Favored 'Cis proline' 0 C--N 1.347 0.491 0 C-N-CA 124.45 -1.063 . . . . 27.94 113.554 0.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -75.58 -30.42 59.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.288 0.566 . . . . 36.76 109.83 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.91 149.25 40.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 30.58 110.372 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.72 134.34 37.48 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.7 2.267 . . . . 28.58 112.348 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 159.92 32.92 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.687 2.258 . . . . 20.75 112.249 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 115.88 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.119 -0.491 . . . . 29.16 110.453 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG21 HG11 ' A' ' 123' ' ' VAL . 39.0 t -115.17 138.58 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 20.48 110.984 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -151.12 154.83 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 41.41 110.271 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 34.7 m-85 -99.73 143.28 30.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 16.6 110.279 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.4 t -93.23 -48.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.197 0.522 . . . . 18.03 109.788 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 145.53 36.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.712 -0.676 . . . . 15.79 110.184 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 83.3 mttt -66.43 118.53 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 35.04 110.749 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.477 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.5 tt -136.37 136.69 48.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.523 -0.762 . . . . 14.88 110.768 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -101.46 92.72 5.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.937 -0.764 . . . . 14.21 108.937 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.9 ttt -132.33 138.75 47.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.495 -0.775 . . . . 15.6 110.169 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.05 100.55 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 27.45 110.85 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.14 -7.52 6.03 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.12 -0.562 . . . . 23.3 112.205 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.39 132.53 63.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 22.53 110.384 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.83 139.92 57.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 26.32 110.717 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -84.77 -3.95 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.176 0.806 . . . . 22.69 113.176 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 -54.8 2.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.675 -0.41 . . . . 31.16 111.411 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 p -90.96 -30.21 16.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 30.09 111.537 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.43 13.57 65.31 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.609 -0.805 . . . . 25.64 111.661 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.2 mtp -74.91 144.81 43.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.229 -0.285 . . . . 38.85 110.229 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -96.57 133.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 25.28 110.79 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.603 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 14.4 t0 -77.49 124.07 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.624 -0.51 . . . . 34.12 109.624 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.22 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.732 0.641 . . . . 29.16 112.732 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.607 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 26.1 ptt-85 -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.84 -0.344 . . . . 52.63 111.733 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -90.01 -16.7 29.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 34.05 110.43 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.452 HG22 HG22 ' A' ' 110' ' ' VAL . 27.7 mm -110.8 118.89 47.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 26.63 109.941 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.42 -45.27 27.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.535 2.823 . . . . 26.05 114.359 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 108' ' ' ILE . 30.0 m -70.41 -17.13 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 112.695 0.628 . . . . 25.84 112.695 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.03 -44.85 6.81 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 23.97 109.822 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.607 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -62.56 -40.26 96.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 28.65 109.763 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 50.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.371 -0.831 . . . . 39.1 108.974 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -58.88 135.25 57.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.297 -0.865 . . . . 29.08 111.997 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -115.85 143.14 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.101 -0.954 . . . . 45.36 108.889 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -72.99 -0.49 13.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 37.64 110.704 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.97 6.99 46.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 26.71 110.126 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -100.28 178.71 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 23.06 110.797 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.2 p -154.49 -179.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 17.53 110.413 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.69 -39.85 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 14.03 110.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.68 -41.61 86.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.755 -0.657 . . . . 24.78 110.694 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.87 -44.45 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.597 . . . . 17.36 110.705 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.456 HG11 HG21 ' A' ' 85' ' ' VAL . 22.0 t -63.73 -46.26 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.564 . . . . 14.42 110.492 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.77 -43.34 90.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.152 -0.476 . . . . 11.53 110.591 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -64.36 -41.28 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 16.85 110.787 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.94 -42.92 89.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 97.3 mt -59.86 -45.37 92.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 14.04 110.303 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -67.11 -30.71 70.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 10.15 110.6 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -66.83 -42.57 85.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.17 -11.38 60.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.668 -0.696 . . . . 17.72 111.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.6 mtt -79.49 -19.99 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.266 0.555 . . . . 18.11 109.603 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.2 mtm -95.68 1.46 53.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.825 -0.625 . . . . 22.93 109.89 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.411 ' HB3' ' OE1' ' A' ' 135' ' ' GLU . 49.4 m -70.58 147.34 49.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.784 -0.644 . . . . 25.92 110.314 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -54.2 -34.63 61.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 29.78 112.401 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 133' ' ' SER . 4.5 pm0 -84.83 8.02 18.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.866 0.691 . . . . 28.22 112.866 -178.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -136.22 -41.6 0.65 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.354 0.502 . . . . 18.41 112.354 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 22.1 ptm -52.85 -25.68 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.959 1.096 . . . . 20.97 113.959 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -114.86 17.41 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.03 0.377 . . . . 35.29 112.014 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.1 mt -77.69 128.83 78.49 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.87 -0.332 . . . . 15.71 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.87 124.79 16.75 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.638 2.225 . . . . 19.11 111.464 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -99.99 141.71 23.27 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.288 -0.415 . . . . 20.51 111.1 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.64 164.76 34.67 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.496 2.131 . . . . 26.0 110.987 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -43.91 118.41 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.171 2.581 . . . . 30.09 112.895 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -60.64 138.83 58.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.74 . . . . 46.96 111.1 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 105.21 -24.62 27.33 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.61 . . . . 36.35 112.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -74.66 134.43 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.341 . . . . 36.19 110.282 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.8 p -114.22 161.64 17.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.301 -0.409 . . . . 36.38 110.817 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 50.6 m-85 -78.62 -10.1 59.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.521 . . . . 44.37 110.261 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -146.94 140.2 25.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.649 -0.705 . . . . 53.87 109.788 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.052 -0.975 . . . . 55.71 110.61 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.1 ptt? . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.877 0.37 . . . . 17.17 110.219 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -86.05 121.32 28.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 21.89 111.835 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -121.25 171.62 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.978 -0.749 . . . . 10.83 108.978 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 66' ' ' THR . 88.5 m-85 -129.75 132.82 46.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.975 -0.29 . . . . 10.61 110.618 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.436 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 24.2 t -112.01 115.57 50.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.623 -0.51 . . . . 9.13 109.623 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 82.4 tttt -107.19 115.91 31.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.154 -0.476 . . . . 20.55 110.543 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -80.91 173.96 12.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.244 -0.435 . . . . 11.78 110.331 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.61 HD11 HG13 ' B' ' 70' ' ' VAL . 16.8 mt -68.18 -12.51 61.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 19.31 110.395 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.57 -7.42 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 23.14 110.619 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.34 81.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.957 -0.639 . . . . 19.74 111.573 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -86.32 110.44 19.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.774 0.321 . . . . 21.93 110.169 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 m -96.25 116.16 28.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.006 -0.543 . . . . 12.33 109.861 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.436 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 45.0 pt -105.39 151.31 7.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.611 -0.268 . . . . 17.08 110.629 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.24 140.15 30.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.961 -0.385 . . . . 16.3 109.961 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.42 143.62 31.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.311 . . . . 15.88 110.641 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -111.35 113.52 26.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.333 -0.394 . . . . 28.9 110.264 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -139.09 164.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.37 -0.377 . . . . 12.05 110.292 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 65.4 mm-40 -101.47 151.99 37.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.543 -0.54 . . . . 18.17 109.543 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.46 -26.75 55.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.696 2.264 . . . . 8.16 112.792 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -88.96 7.7 33.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 11.13 111.847 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.558 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -80.75 139.73 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 18.03 110.867 -179.671 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 147.96 31.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.081 -0.509 . . . . 10.22 110.46 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.28 -34.5 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.331 0.586 . . . . 12.3 110.331 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.96 -44.33 82.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.224 -0.898 . . . . 36.51 111.419 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.6 t30 -67.93 -36.17 79.68 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.784 0.326 . . . . 25.66 110.291 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.37 -43.47 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 8.12 109.727 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.0 -42.47 99.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.566 -0.743 . . . . 15.47 110.487 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 11.45 110.935 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 34.7 mtpt -66.46 -38.34 87.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 24.98 110.42 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.74 -39.32 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.457 . . . . 9.46 109.774 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.01 -32.65 74.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 14.76 110.872 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.03 -34.93 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.199 -0.455 . . . . 26.29 111.981 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -99.79 -48.94 4.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.912 0.708 . . . . 30.06 112.912 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -82.53 -39.06 22.89 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.058 -0.257 . . . . 25.19 111.598 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.81 38.56 5.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 7.41 112.744 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -111.84 122.33 37.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.118 -0.327 . . . . 9.49 110.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 49.2 Cg_exo -55.17 132.41 52.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.753 2.302 . . . . 11.42 112.149 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 49.2 Cg_exo -57.13 -32.19 92.64 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.9 2.4 . . . . 12.0 112.166 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -32.07 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 35.55 110.9 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 4.7 mt-30 -95.75 13.68 25.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.131 -0.486 . . . . 20.52 110.358 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 61.1 mt-30 -104.8 113.74 27.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 7.13 111.024 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -119.5 97.13 5.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.612 -0.885 . . . . 36.39 108.612 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 50' ' ' LEU . 18.4 mt -78.93 129.0 34.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.952 -0.567 . . . . 9.55 111.869 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -122.73 130.22 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 13.9 109.481 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.637 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.2 t80 -152.51 139.8 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 6.86 111.008 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 28.02 13.85 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.701 -0.681 . . . . 11.15 112.317 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.06 25.57 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.799 -0.715 . . . . 13.93 112.826 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -142.21 151.88 42.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.677 0.275 . . . . 0.0 110.265 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -80.46 132.52 35.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 23.23 110.39 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' B' ' 43' ' ' LEU . 34.2 mt -85.17 93.89 8.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.165 0.507 . . . . 9.11 110.119 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.97 142.94 52.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.263 -0.88 . . . . 33.44 111.713 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -47.85 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 28.37 111.906 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 42.86 2.94 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.174 -0.536 . . . . 15.0 113.797 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.9 mmp_? -136.54 162.23 33.67 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.81 -0.441 . . . . 25.5 109.81 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.9 p -105.77 174.99 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.583 0.23 . . . . 11.95 110.464 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.41 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 58.2 mt -68.28 -30.68 69.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 10.17 110.919 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -25.09 66.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.042 -0.527 . . . . 13.59 111.639 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.487 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 5.6 m-20 -62.73 -29.33 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 11.7 111.826 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -117.55 14.35 14.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.386 -0.37 . . . . 12.95 111.064 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 55.34 46.15 24.05 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.557 0.694 . . . . 25.45 110.998 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 85.1 mt -84.61 106.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.795 -0.639 . . . . 14.6 109.972 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -101.54 -166.46 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.926 -0.579 . . . . 33.23 109.725 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -71.32 155.31 40.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.39 -0.226 . . . . 25.97 110.39 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 70.93 -8.65 0.93 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.382 0.673 . . . . 32.61 112.793 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.9 m -61.34 123.96 19.26 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.822 0.344 . . . . 10.56 110.672 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -88.86 93.3 9.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.939 -0.573 . . . . 5.33 111.404 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.63 139.66 45.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.23 -1.026 . . . . 11.66 108.23 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 97.3 m-70 -102.08 116.09 31.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.291 -0.564 . . . . 16.3 110.809 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.9 tp -92.46 106.48 18.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.643 -0.708 . . . . 9.96 110.438 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.61 HG13 HD11 ' B' ' 8' ' ' LEU . 47.0 t -99.07 124.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.535 -0.757 . . . . 9.76 109.467 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.26 127.32 30.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.919 0.39 . . . . 19.57 110.748 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.416 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 26.1 ttp85 -82.83 95.11 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.494 -0.928 . . . . 35.08 108.494 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.07 108.35 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 32.31 111.791 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -119.28 112.4 19.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 42.75 109.878 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.03 80.01 1.42 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.551 -0.833 . . . . 36.31 111.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 119.002 -0.888 . . . . 36.27 111.399 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.218 -0.289 . . . . 51.18 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -69.91 105.2 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 52.33 110.269 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 12.3 t -60.52 -49.63 89.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 45.08 111.802 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 51.8 Cg_exo -56.21 -39.16 93.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 121.953 1.769 . . . . 40.03 112.219 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -68.56 -45.66 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 35.39 110.377 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.13 -45.28 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 39.28 109.855 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.19 -41.37 88.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.597 -0.728 . . . . 39.58 109.932 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -58.72 -48.92 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.681 -0.69 . . . . 38.87 110.683 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 48' ' ' LEU . 50.2 mt -60.86 -37.08 80.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 22.45 111.017 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.66 -28.86 68.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 25.03 110.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -80.97 -50.23 9.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.415 -0.357 . . . . 36.37 110.781 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.523 ' OE1' ' HB2' ' A' ' 119' ' ' SER . 8.6 mt-10 -59.9 -24.78 64.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.936 -0.575 . . . . 25.08 111.016 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.33 -52.51 64.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 28.37 110.652 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -70.02 -28.47 65.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 45.48 110.47 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.49 -43.74 98.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 35.52 110.271 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.02 -37.17 56.48 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.953 -0.642 . . . . 31.25 112.799 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 28' ' ' GLN . 16.1 mt-30 -72.29 -7.43 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 42.74 111.8 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -122.61 3.0 9.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 47.38 110.42 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA3' ' CD2' ' B' ' 68' ' ' HIS . . . 57.85 42.75 94.8 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.804 -0.635 . . . . 34.95 112.211 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.79 101.55 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.691 0.282 . . . . 28.2 111.307 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.08 -131.83 1.61 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.092 -0.575 . . . . 22.15 111.851 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -23.06 61.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.0 0.429 . . . . 15.15 110.404 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.56 -12.29 13.76 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.888 -0.672 . . . . 12.29 112.999 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.564 HG22 HD22 ' B' ' 8' ' ' LEU . 81.6 p -115.33 -42.72 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.932 0.366 . . . . 13.75 111.897 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.48 137.82 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 14.12 111.594 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -141.15 138.92 33.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 14.51 110.297 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 5.9 p90 -152.2 170.72 19.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.558 -0.534 . . . . 16.01 109.558 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.82 178.68 43.94 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.93 -1.128 . . . . 16.67 112.911 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 125.1 29.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.985 0.421 . . . . 25.73 110.392 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 40.3 tt0 -93.1 -33.02 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.109 -0.496 . . . . 44.86 110.575 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 2.8 m-20 -62.13 -57.67 10.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 55.38 111.672 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 4.4 t70 73.1 -49.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.234 0.614 . . . . 59.05 111.16 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.66 -7.22 54.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.153 0.501 . . . . 62.12 110.626 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -102.29 119.33 38.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 57.57 109.901 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -91.55 6.85 44.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.471 . . . . 49.86 112.187 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 p -86.4 -22.64 26.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.429 -0.508 . . . . 34.17 110.842 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' HB2' HD13 ' A' ' 20' ' ' LEU . 3.0 mp 55.18 61.23 3.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.249 0.547 . . . . 26.52 110.112 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -105.9 -45.35 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.884 -0.598 . . . . 22.44 112.036 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 50' ' ' ARG . 20.9 mtm180 -95.59 110.24 22.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.111 0.481 . . . . 40.81 110.785 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -108.14 138.68 44.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.796 -0.638 . . . . 18.23 110.56 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 41' ' ' GLU . 18.4 m -99.43 122.31 42.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 26.25 109.947 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.52 142.32 17.51 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.603 -0.808 . . . . 14.96 111.705 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.3 ttp -131.98 125.8 32.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.781 0.324 . . . . 21.59 110.258 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.95 122.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.099 0.476 . . . . 12.92 110.643 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.443 HG21 HG11 ' B' ' 70' ' ' VAL . 2.2 pt -87.53 128.12 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.791 -0.64 . . . . 12.18 109.443 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -56.65 129.91 49.49 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 116.114 -0.494 . . . . 13.21 113.343 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 26.3 Cg_exo -63.11 144.28 92.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.743 2.295 . . . . 14.44 112.081 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 23.8 Cg_exo -65.43 153.21 79.25 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.538 2.158 . . . . 17.43 112.31 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 69.0 24.24 6.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.52 -0.764 . . . . 32.61 112.251 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.744 -0.465 . . . . 17.94 109.744 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -77.76 -0.41 26.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 18.91 110.189 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.615 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 9.6 m-85 -113.14 16.48 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 16.86 110.883 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -57.9 119.98 7.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.891 0.377 . . . . 37.17 111.675 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 t30 69.98 15.11 7.81 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.104 -0.953 . . . . 30.81 111.851 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -91.59 145.83 24.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.968 -0.382 . . . . 25.62 109.968 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -118.91 110.51 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 19.36 109.828 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.435 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 51.2 m-85 -102.7 130.94 49.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.91 0.386 . . . . 12.92 111.011 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.47 136.15 38.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.663 -0.699 . . . . 13.09 110.45 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.08 149.8 50.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.519 . . . . 13.47 111.066 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -116.85 114.9 24.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 33.44 109.36 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.48 117.06 54.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.803 0.335 . . . . 19.18 110.266 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.44 114.27 27.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.038 -0.528 . . . . 42.22 110.276 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -80.85 106.53 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.862 -0.608 . . . . 25.59 110.946 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.87 170.11 33.49 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.812 -0.631 . . . . 26.42 112.812 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.42 -25.37 80.28 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.201 2.6 . . . . 31.44 113.163 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.61 7.6 38.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.612 -0.267 . . . . 44.64 111.468 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 85.0 t80 -71.73 140.79 84.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.287 -0.634 . . . . 29.6 109.287 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . 87.0 Cg_endo -98.05 21.86 24.92 Favored 'Cis proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.549 -1.021 . . . . 27.94 113.116 0.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -71.13 -29.26 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.107 0.48 . . . . 36.76 110.094 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.7 154.8 57.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 30.58 109.985 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.91 132.39 28.16 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.692 2.261 . . . . 28.58 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.57 170.96 18.92 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.912 2.408 . . . . 20.75 112.428 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.41 114.52 21.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 29.16 110.395 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.5 t -119.05 133.31 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.398 -0.364 . . . . 20.48 110.567 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -152.59 154.37 35.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 41.41 110.536 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.46 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.124 -0.489 . . . . 16.6 110.431 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.19 -41.84 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.215 0.531 . . . . 18.03 109.695 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 143.51 29.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.621 -0.718 . . . . 15.79 110.167 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 94.1 mttt -67.81 117.52 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 35.04 110.773 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.435 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 6.8 tt -136.56 130.65 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.569 . . . . 14.88 111.057 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -88.88 91.86 8.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.133 -0.691 . . . . 14.21 109.133 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.7 ttt -129.8 147.2 51.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.894 -0.594 . . . . 15.6 110.391 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.23 105.07 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 27.45 111.039 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.21 -4.75 13.64 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.675 -0.774 . . . . 23.3 112.443 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.28 125.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.991 -0.374 . . . . 22.53 109.991 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.17 129.01 38.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 26.32 110.216 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -78.96 -5.94 55.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.997 0.74 . . . . 22.69 112.997 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -98.74 -57.81 2.1 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.9 -0.32 . . . . 31.16 111.677 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -93.86 -24.43 17.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.845 0.313 . . . . 30.09 111.845 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.34 63.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.668 -0.777 . . . . 25.64 112.04 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 82.3 mtp -75.92 140.85 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.863 0.363 . . . . 38.85 110.914 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.31 125.46 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 25.28 110.389 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.518 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 47.6 t0 -75.0 117.69 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 34.12 110.218 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.15 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 29.16 112.641 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 28.6 ptt-85 -78.07 -4.37 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.647 -0.421 . . . . 52.63 111.707 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -101.56 -4.02 27.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.518 . . . . 34.05 110.27 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.83 117.07 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.145 -0.687 . . . . 26.63 109.145 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.67 -49.42 13.52 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.316 2.678 . . . . 26.05 114.252 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.411 HG22 ' HG2' ' A' ' 126' ' ' GLU . 32.9 m -68.89 -18.15 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.673 0.62 . . . . 25.84 112.673 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -94.64 -36.27 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.945 0.402 . . . . 23.97 110.035 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.78 73.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 28.65 109.868 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -110.76 45.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.637 -0.711 . . . . 39.1 109.405 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.24 137.07 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.12 -0.946 . . . . 29.08 111.739 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -121.43 154.53 36.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.437 -0.801 . . . . 45.36 109.389 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -65.87 -15.03 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.166 0.508 . . . . 37.64 110.7 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 2.27 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.631 . . . . 26.71 111.056 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -91.04 169.15 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.897 0.38 . . . . 23.06 110.59 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.523 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 57.2 p -153.09 -176.62 5.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.942 -0.572 . . . . 17.53 110.436 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.09 -44.51 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.257 0.551 . . . . 14.03 110.532 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.409 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 17.2 ttpt -60.43 -40.1 89.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.279 -0.873 . . . . 24.78 111.612 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.67 -43.16 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 17.36 110.861 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.29 -47.06 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 14.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.73 -44.31 90.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 11.53 111.407 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.6 -40.39 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 16.85 110.715 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 129' ' ' ARG . 7.1 tp10 -65.92 -45.08 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 30.3 110.709 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.38 -45.45 91.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 14.04 111.081 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.6 ttt180 -66.26 -30.09 70.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 10.15 110.443 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 126' ' ' GLU . 68.5 ttp85 -68.92 -41.56 77.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.519 . . . . 27.05 109.6 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.3 -19.06 63.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 17.72 110.728 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 62.5 mtt -74.45 -25.14 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.658 -0.497 . . . . 18.11 109.658 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 51.2 mtm -85.95 -10.05 55.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 22.93 110.167 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.3 m -66.81 140.25 57.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.597 . . . . 25.92 110.022 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -54.3 -28.48 42.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.153 0.502 . . . . 29.78 111.858 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.71 -13.03 61.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 28.22 112.424 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -128.25 -36.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.116 0.413 . . . . 18.41 112.116 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.5 ptm -56.39 -26.65 53.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.834 0.679 . . . . 20.97 112.834 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -111.88 31.24 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 35.29 111.588 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.7 mt -99.06 126.15 39.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.492 -0.322 . . . . 15.71 110.351 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.5 129.16 33.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.67 2.247 . . . . 19.11 111.109 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -107.41 143.55 27.43 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.544 -0.298 . . . . 20.51 111.621 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.73 167.15 21.95 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.949 2.433 . . . . 26.0 111.312 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.97 127.38 3.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.34 2.694 . . . . 30.09 112.992 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -62.37 121.86 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.2 -0.909 . . . . 46.96 111.345 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.61 24.83 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.529 -0.843 . . . . 36.35 112.621 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.16 133.93 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.364 . . . . 36.19 110.865 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 p -118.02 154.96 31.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.259 -0.428 . . . . 36.38 110.61 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 61.6 m-85 -72.24 -16.54 61.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 44.37 110.532 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -140.55 162.24 35.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 53.87 109.52 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.214 -0.898 . . . . 55.71 110.532 -179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.772 0.32 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -96.18 129.8 43.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.129 0.49 . . . . 21.89 111.542 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -130.92 165.8 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.706 -0.679 . . . . 10.83 109.218 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' B' ' 66' ' ' THR . 93.2 m-85 -121.18 140.44 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.604 0.24 . . . . 10.61 110.615 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.435 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 38.3 t -116.99 118.51 59.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.65 -0.5 . . . . 9.13 109.65 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -111.29 123.58 50.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.423 -0.353 . . . . 20.55 110.705 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -80.39 -177.65 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.17 -0.468 . . . . 11.78 111.147 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.62 HD21 HG22 ' B' ' 70' ' ' VAL . 40.7 mt -79.42 -20.46 47.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.354 0.597 . . . . 19.31 110.078 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -37.99 61.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.549 -0.75 . . . . 23.14 110.175 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.7 2.73 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.598 -0.728 . . . . 19.74 111.64 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -51.12 132.73 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.042 0.537 . . . . 21.93 111.79 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.8 m -123.49 123.36 40.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 12.33 109.969 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.435 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 30.7 pt -111.74 155.95 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 17.08 111.351 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 132.17 41.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.864 -0.607 . . . . 16.3 109.754 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -130.57 137.43 49.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.926 0.393 . . . . 15.88 110.628 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -113.06 106.54 14.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.9 -0.591 . . . . 28.9 109.761 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 1' ' ' MET . 6.6 m -139.15 164.43 25.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.088 -0.506 . . . . 12.05 110.335 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 79.5 mm-40 -98.93 154.8 37.18 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.262 -0.644 . . . . 18.17 109.262 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -24.67 75.03 Favored 'Trans proline' 0 N--CA 1.473 0.286 0 C-N-CA 122.294 1.996 . . . . 8.16 112.169 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 1.96 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 11.13 111.37 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -75.2 150.44 38.65 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.963 0.411 . . . . 18.03 111.16 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -92.36 149.6 21.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.794 -0.639 . . . . 10.22 110.195 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -57.97 -32.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 12.3 110.352 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.25 -43.18 99.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 36.51 110.337 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -72.42 -32.32 66.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 25.66 110.043 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 22' ' ' THR . 70.7 t -60.52 -45.28 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 8.12 109.662 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.18 -33.23 75.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.606 -0.725 . . . . 15.47 110.411 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.92 94.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.657 -0.702 . . . . 11.45 110.458 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 60.9 mttt -68.84 -35.5 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.03 -0.532 . . . . 24.98 110.18 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.1 -45.27 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.84 -0.43 . . . . 9.46 109.84 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.48 -33.01 74.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.253 0.549 . . . . 14.76 110.347 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.33 -22.97 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.356 -0.838 . . . . 26.29 112.489 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 14.0 ptpt -119.07 -39.47 2.92 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.962 0.727 . . . . 30.06 112.962 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -29.27 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.836 0.31 . . . . 25.19 111.836 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 12.04 69.84 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.462 -0.875 . . . . 7.41 112.942 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.75 121.37 64.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.268 -0.271 . . . . 9.49 110.268 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 33.9 Cg_exo -60.17 133.35 49.35 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.8 2.334 . . . . 11.42 112.527 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.7 Cg_exo -57.53 -19.14 35.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.065 2.51 . . . . 12.0 112.509 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.03 -43.3 73.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.729 -0.669 . . . . 35.55 111.98 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -104.02 14.68 30.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.346 -0.388 . . . . 20.52 111.501 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -91.01 127.66 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.534 -0.303 . . . . 7.13 110.696 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.636 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.7 ttp180 -137.79 111.03 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.973 -0.751 . . . . 36.39 108.973 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -94.03 131.65 39.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 9.55 111.481 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.18 131.07 70.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.514 -0.766 . . . . 13.9 109.416 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.613 ' HB3' HD21 ' B' ' 50' ' ' LEU . 62.9 t80 -139.55 126.36 20.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.722 -0.217 . . . . 6.86 111.162 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.66 29.92 14.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.807 -0.633 . . . . 11.15 112.545 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.97 8.77 85.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.756 -0.735 . . . . 13.93 112.735 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -119.58 144.06 47.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -86.74 134.96 33.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.172 -0.467 . . . . 23.23 110.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.6 mt -91.2 115.52 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.459 -0.337 . . . . 9.11 110.92 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.82 140.94 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 33.44 110.383 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.54 -44.05 76.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.981 0.734 . . . . 28.37 112.981 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.61 -6.58 86.92 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.73 -0.748 . . . . 15.0 113.858 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -92.01 167.31 12.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.241 0.521 . . . . 25.5 110.902 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.1 p -104.14 174.38 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.868 -0.605 . . . . 11.95 110.992 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' B' ' 61' ' ' ILE . 87.6 mt -67.69 -38.14 83.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 10.17 110.616 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -22.56 65.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.911 -0.586 . . . . 13.59 111.562 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.18 -25.62 68.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.942 0.401 . . . . 11.7 111.678 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -116.38 15.75 15.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.339 -0.391 . . . . 12.95 111.079 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 60.16 39.22 19.65 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.677 0.611 . . . . 25.45 111.141 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' B' ' 56' ' ' LEU . 79.6 mt -78.89 121.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.914 -0.402 . . . . 14.6 109.914 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -105.4 174.24 5.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.579 . . . . 33.23 110.337 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 13.3 pttp -75.43 162.79 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.699 -0.482 . . . . 25.97 109.699 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.6 mp0 70.49 2.16 3.95 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.463 0.477 . . . . 32.61 111.593 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -81.75 158.53 24.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.662 0.268 . . . . 10.56 110.4 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.1 m -119.59 104.19 10.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.508 . . . . 5.33 110.749 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.77 141.03 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.767 -0.651 . . . . 11.66 109.375 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.443 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 2.7 m-70 -96.64 121.97 39.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.84 0.352 . . . . 16.3 110.653 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.49 92.76 9.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.326 0.584 . . . . 9.96 110.269 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t -93.37 93.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.397 -0.82 . . . . 9.76 109.438 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -54.3 139.95 34.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.273 0.559 . . . . 19.57 111.42 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.544 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 13.3 ttp180 -84.31 123.88 30.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.38 -0.827 . . . . 35.08 110.318 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.85 98.61 4.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.083 -0.508 . . . . 32.31 110.396 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.67 94.29 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 42.75 109.825 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.03 -169.34 33.42 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.862 -0.685 . . . . 36.31 111.753 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.788 -1.007 . . . . 36.27 111.844 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.96 -0.385 . . . . 51.18 109.96 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.22 112.59 1.97 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.406 . . . . 52.33 111.059 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 15.8 t -72.96 -51.77 6.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 45.08 111.709 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.529 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 52.8 Cg_exo -55.4 -39.44 91.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.936 1.757 . . . . 40.03 112.212 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -64.73 -51.1 64.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.798 -0.637 . . . . 35.39 110.503 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -40.28 89.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 39.28 110.325 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.01 -48.6 81.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.127 -0.488 . . . . 39.58 110.251 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -62.06 -43.5 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 38.87 110.75 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 48' ' ' LEU . 88.7 mt -59.89 -37.39 79.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 22.45 110.987 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -31.96 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 25.03 110.384 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.85 -38.81 66.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 36.37 109.937 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' OE2' ' HB2' ' A' ' 119' ' ' SER . 6.8 mm-40 -60.33 -31.22 70.09 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.836 -0.62 . . . . 25.08 110.266 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.04 -48.05 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.801 -0.636 . . . . 28.37 110.223 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.84 -40.12 94.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 45.48 110.219 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -59.97 -36.82 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 35.52 110.435 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.78 68.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.173 -0.537 . . . . 31.25 112.454 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.96 -13.92 61.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.128 0.49 . . . . 42.74 111.086 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -100.13 -35.37 9.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 47.38 110.198 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.411 ' HA3' ' NE2' ' B' ' 68' ' ' HIS . . . 69.92 49.67 33.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.281 -0.728 . . . . 34.95 111.281 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 t -75.92 150.37 6.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.819 0.343 . . . . 28.2 110.841 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.47 -130.42 8.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.839 -0.696 . . . . 22.15 111.804 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.34 -41.07 92.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 15.15 110.557 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.14 -11.07 55.32 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.68 -0.771 . . . . 12.29 113.158 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -92.11 -52.19 4.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.127 0.489 . . . . 13.75 110.853 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -76.99 152.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.874 -0.603 . . . . 14.12 111.028 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -155.05 153.74 31.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 14.51 109.614 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.401 ' HB3' HD11 ' A' ' 124' ' ' LEU . 21.2 p90 -143.32 170.16 16.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 16.01 110.174 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.85 39.73 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.731 -0.747 . . . . 16.67 112.195 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD11 HD23 ' A' ' 48' ' ' LEU . 6.1 mt -80.4 119.16 22.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 25.73 111.101 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.92 -7.8 48.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.802 -0.814 . . . . 44.86 108.802 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' HB2' HD22 ' A' ' 40' ' ' LEU . 1.1 m-20 -69.24 -35.85 76.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.034 -0.985 . . . . 55.38 109.888 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.41 -80.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.258 0.974 . . . . 59.05 113.461 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.84 -26.28 29.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.772 0.32 . . . . 62.12 111.658 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.95 118.77 21.27 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.342 -0.614 . . . . 57.57 109.342 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.3 mtt -93.77 20.5 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.049 0.759 . . . . 49.86 113.049 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 p -82.86 -18.3 40.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.657 -0.497 . . . . 34.17 109.657 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 HD11 ' A' ' 40' ' ' LEU . 1.4 mp 58.47 57.43 3.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.377 -0.829 . . . . 26.52 110.848 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.73 -37.95 5.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.009 -0.542 . . . . 22.44 111.613 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -97.82 105.43 17.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.463 . . . . 40.81 110.908 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -111.51 142.45 43.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 18.23 110.022 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.33 132.85 53.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 26.25 109.244 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.02 18.16 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.227 -0.749 . . . . 14.96 111.227 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.5 ttp -133.31 129.97 38.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.113 0.482 . . . . 21.59 111.053 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -125.56 118.49 52.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.531 -0.758 . . . . 12.92 110.116 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 129.71 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.009 -0.541 . . . . 12.18 109.632 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.707 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.82 125.31 34.85 Favored Glycine 0 N--CA 1.446 -0.683 0 O-C-N 123.649 0.593 . . . . 13.21 112.631 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 27.4 Cg_exo -61.94 142.6 93.56 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.773 2.316 . . . . 14.44 112.289 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 34.1 Cg_exo -61.77 150.66 84.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.326 2.017 . . . . 17.43 111.939 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 73.28 -4.73 2.12 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.765 0.654 . . . . 32.61 112.765 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -100.21 175.53 5.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.971 -0.381 . . . . 17.94 109.971 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.81 -4.14 38.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.853 0.358 . . . . 18.91 111.009 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.707 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -103.42 4.55 36.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 16.86 109.928 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 40.9 tt0 -49.32 124.46 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.734 0.642 . . . . 37.17 112.734 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 69.2 m-80 76.89 -5.83 2.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.917 -1.038 . . . . 30.81 113.315 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.33 136.15 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 25.62 111.287 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.2 mt -104.5 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.008 -0.738 . . . . 19.36 109.008 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.686 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 29.1 m-85 -96.54 136.35 37.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.992 -0.549 . . . . 12.92 111.746 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 147.47 38.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.472 -0.786 . . . . 13.09 110.08 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 151.1 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 13.47 110.954 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -104.06 115.53 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.648 -0.871 . . . . 33.44 108.648 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.24 125.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 19.18 110.742 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -120.27 111.1 17.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.001 -0.545 . . . . 42.22 110.54 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.21 117.07 21.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 25.59 110.054 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.1 173.86 52.34 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.118 -0.563 . . . . 26.42 112.979 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.51 -16.57 55.45 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.224 2.616 . . . . 31.44 112.972 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 72.5 mttt -100.06 13.73 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.627 -0.261 . . . . 44.64 111.436 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.501 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 36.5 t80 -72.31 140.5 82.48 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.876 -0.416 . . . . 29.6 109.876 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.501 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -98.23 19.61 27.02 Favored 'Cis proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.728 -0.947 . . . . 27.94 113.104 0.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -67.35 -37.92 84.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.161 0.505 . . . . 36.76 110.178 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 77' ' ' LYS . . . -108.66 149.29 39.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.531 -0.759 . . . . 30.58 110.443 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.49 135.08 44.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.667 2.245 . . . . 28.58 112.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.94 158.89 27.45 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.972 2.448 . . . . 20.75 112.54 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.77 116.53 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 29.16 110.28 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -121.1 132.56 70.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 20.48 110.707 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -144.66 146.32 32.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 41.41 110.159 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.95 144.59 29.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 16.6 111.059 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.24 -47.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 18.03 109.789 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.486 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -84.24 149.63 25.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.867 -0.606 . . . . 15.79 110.723 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 96.4 mttt -66.69 119.92 12.59 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.822 0.344 . . . . 35.04 111.347 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.686 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 15.3 tt -141.23 131.46 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 14.88 110.987 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -97.36 85.23 3.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.133 -0.692 . . . . 14.21 109.133 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.9 ttt -124.77 137.98 54.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.349 -0.842 . . . . 15.6 109.757 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -60.53 113.22 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 27.45 111.08 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.95 -10.8 20.73 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.656 . . . . 23.3 112.046 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -108.02 128.4 63.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.799 0.333 . . . . 22.53 110.513 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -72.03 132.06 43.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 26.32 109.839 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -86.42 6.82 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.217 0.821 . . . . 22.69 113.217 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -98.24 -62.48 1.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.084 -0.385 . . . . 31.16 110.715 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 -16.23 16.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 30.09 111.108 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.15 12.44 60.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.615 -0.802 . . . . 25.64 112.363 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtp -65.82 131.04 45.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 38.85 111.237 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.9 t -89.26 125.48 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.686 -0.486 . . . . 25.28 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.65 110.79 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.777 -0.453 . . . . 34.12 109.777 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.01 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.696 0.628 . . . . 29.16 112.696 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -71.57 -11.99 61.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.715 0.293 . . . . 52.63 111.641 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.0 m -95.52 -4.35 44.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.765 0.317 . . . . 34.05 111.027 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.87 120.78 33.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.843 -0.429 . . . . 26.63 109.843 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.18 -47.79 20.75 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.459 2.773 . . . . 26.05 114.162 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.2 m -74.21 -14.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.907 0.706 . . . . 25.84 112.907 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.05 -38.19 9.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.731 -0.387 . . . . 23.97 110.486 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -69.55 -44.43 70.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.272 0.558 . . . . 28.65 109.945 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.35 40.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.455 -0.793 . . . . 39.1 109.384 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -55.44 128.26 33.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.097 -0.956 . . . . 29.08 111.986 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -110.5 152.7 26.05 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.96 -1.018 . . . . 45.36 108.845 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -68.16 -8.36 37.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.179 0.514 . . . . 37.64 110.514 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -2.39 58.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 26.71 110.677 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -93.47 170.9 9.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.579 . . . . 23.06 110.421 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.412 ' HB2' ' OE2' ' A' ' 23' ' ' GLU . 11.3 p -159.43 -179.91 8.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.946 -0.57 . . . . 17.53 109.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.92 -34.67 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.17 0.509 . . . . 14.03 110.652 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.89 -49.3 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.381 -0.827 . . . . 24.78 110.997 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.4 -41.18 91.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 17.36 111.401 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.75 -52.87 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 14.42 111.778 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 38' ' ' TRP . 53.6 mt -61.03 -41.07 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 11.53 111.502 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.23 -41.14 86.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.524 -0.307 . . . . 16.85 111.163 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -64.75 -44.09 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.437 -0.347 . . . . 30.3 110.533 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -44.34 91.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 14.04 110.487 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -67.16 -33.43 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 10.15 110.558 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -66.25 -41.45 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.619 -0.512 . . . . 27.05 109.619 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.18 -15.75 62.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.743 -0.662 . . . . 17.72 110.721 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 57.5 mtt -78.75 -24.47 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.28 0.562 . . . . 18.11 109.506 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.2 mtt -85.09 -7.79 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.789 . . . . 22.93 109.883 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.7 m -69.58 144.48 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.725 . . . . 25.92 110.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.78 -39.15 62.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.62 0.6 . . . . 29.78 112.62 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -72.38 -1.81 16.95 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.122 0.786 . . . . 28.22 113.122 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -131.37 -42.7 1.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.441 0.534 . . . . 18.41 112.441 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.2 ptm -52.84 -25.3 11.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.878 1.066 . . . . 20.97 113.878 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -121.14 40.48 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.485 -0.486 . . . . 35.29 112.222 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 19.7 mt -100.33 137.02 19.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.941 -0.392 . . . . 15.71 109.941 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.11 118.7 5.63 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.642 2.228 . . . . 19.11 111.402 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -100.22 143.02 25.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 20.51 111.637 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.34 168.64 20.43 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.002 2.468 . . . . 26.0 111.4 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -44.99 123.11 4.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.133 2.555 . . . . 30.09 113.029 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -64.35 127.55 31.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.638 -0.71 . . . . 46.96 110.575 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 114.1 -23.45 12.76 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.372 -0.918 . . . . 36.35 112.799 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.6 141.08 39.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 36.19 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.3 p -116.76 164.61 14.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 36.38 111.643 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 47.1 m-85 -82.55 -6.05 59.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.521 . . . . 44.37 110.279 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -137.19 131.54 32.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 53.87 110.412 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 26.3 t30 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.243 -0.884 . . . . 55.71 111.286 179.829 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.966 -0.383 . . . . 17.17 109.966 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -109.2 129.03 55.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.898 0.38 . . . . 21.89 110.768 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -114.83 158.33 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 10.83 109.861 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.09 107.96 17.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.489 -0.323 . . . . 10.61 110.455 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.491 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 39.1 t -93.98 107.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.288 -0.634 . . . . 9.13 109.288 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 66.1 tttt -103.96 127.67 51.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.649 -0.705 . . . . 20.55 110.978 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 175.02 9.38 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.911 -0.586 . . . . 11.78 109.511 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 mt -78.93 -1.93 37.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 19.31 110.087 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -5.03 45.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.63 -0.714 . . . . 23.14 110.562 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 -4.43 64.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.863 -0.684 . . . . 19.74 112.848 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -76.02 128.04 34.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.056 -0.35 . . . . 21.93 110.056 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -119.31 109.32 15.66 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.857 0.36 . . . . 12.33 110.985 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.491 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.7 pt -100.63 143.21 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.94 -0.573 . . . . 17.08 110.717 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.76 136.52 36.06 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.164 -0.471 . . . . 16.3 110.25 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tp -132.86 135.26 45.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.387 -0.369 . . . . 15.88 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.17 105.12 15.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.182 -0.463 . . . . 28.9 109.858 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -138.77 176.34 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.528 -0.306 . . . . 12.05 110.932 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 75.8 mm-40 -115.15 153.58 47.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.091 -0.707 . . . . 18.17 109.091 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.7 Cg_exo -55.79 -25.87 54.08 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 122.609 2.206 . . . . 8.16 113.386 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -10.93 59.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 11.13 111.49 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.6 m-20 -68.55 136.48 53.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 18.03 110.575 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.0 p -79.79 149.91 30.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.86 -0.609 . . . . 10.22 110.171 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -58.49 -35.22 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.229 0.537 . . . . 12.3 110.086 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.14 -37.68 88.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.755 . . . . 36.51 110.507 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -73.2 -35.81 66.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 25.66 109.719 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 22' ' ' THR . 79.8 t -61.08 -45.15 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 8.12 110.27 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.41 -36.0 79.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.47 110.951 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.22 90.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 11.45 110.324 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -71.48 -36.5 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.608 -0.723 . . . . 24.98 110.235 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.79 -41.35 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.06 -0.719 . . . . 9.46 109.06 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.51 -27.18 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 14.76 110.218 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.37 -39.66 89.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.987 -0.551 . . . . 26.29 111.84 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -101.35 -33.69 9.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.065 0.765 . . . . 30.06 113.065 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -98.02 -19.52 17.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.656 0.613 . . . . 25.19 112.656 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.71 19.33 79.94 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.524 -0.846 . . . . 7.41 113.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.27 118.04 68.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.752 -0.264 . . . . 9.49 110.719 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.5 Cg_exo -59.17 125.17 17.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.621 2.214 . . . . 11.42 112.225 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.7 Cg_exo -52.88 -25.12 26.39 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.52 2.814 . . . . 12.0 113.168 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.52 -37.05 67.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 35.55 111.361 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -110.09 45.61 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.444 0.64 . . . . 20.52 110.451 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -125.1 105.58 9.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 7.13 111.376 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.58 98.64 7.58 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.323 -0.621 . . . . 36.39 109.323 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.44 ' HB3' HD12 ' B' ' 50' ' ' LEU . 57.9 mt -80.24 118.83 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.818 -0.628 . . . . 9.55 111.364 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.66 128.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.433 -0.803 . . . . 13.9 110.322 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.489 ' CD2' HG12 ' B' ' 61' ' ' ILE . 73.6 t80 -145.92 132.44 19.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 6.86 110.312 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 25.78 12.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 11.15 111.538 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 13.65 80.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.836 -0.697 . . . . 13.93 112.811 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -125.17 150.31 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.872 0.368 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.3 tm0? -90.35 125.85 35.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.803 -0.635 . . . . 23.23 109.675 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.0 mt -79.15 114.8 18.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 9.11 111.413 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.407 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 33.5 tt0 -74.0 137.42 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.166 -0.47 . . . . 33.44 110.503 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -48.01 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 28.37 112.661 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.22 23.65 3.22 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.991 -0.623 . . . . 15.0 114.475 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.407 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 5.2 mmt180 -123.22 170.96 9.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.628 0.714 . . . . 25.5 109.999 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -106.71 172.92 6.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.729 0.299 . . . . 11.95 110.652 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 18' ' ' GLU . 55.2 mt -67.46 -28.25 67.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.265 0.555 . . . . 10.17 110.002 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -20.92 61.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 13.59 111.8 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.29 -19.25 63.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.121 0.486 . . . . 11.7 111.376 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -120.32 11.21 11.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.165 -0.47 . . . . 12.95 110.259 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 55.58 45.09 25.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.262 -0.881 . . . . 25.45 111.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.489 HG12 ' CD2' ' B' ' 45' ' ' PHE . 62.2 mt -79.45 109.31 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.12 0.486 . . . . 14.6 109.734 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -85.34 -174.14 5.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 33.23 111.001 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -81.45 154.64 26.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 25.97 109.626 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 66.85 8.19 5.84 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.438 0.461 . . . . 32.61 111.893 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.9 m -75.12 150.69 38.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.924 -0.399 . . . . 10.56 109.924 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -108.46 110.75 22.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 5.33 112.101 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.5 mt -86.95 145.3 26.59 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.524 -0.917 . . . . 11.66 108.524 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 27.9 m-70 -113.35 119.25 37.02 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.872 -0.331 . . . . 16.3 110.218 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 tp -90.21 115.49 27.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.988 0.423 . . . . 9.96 111.456 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.8 t -108.16 132.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.681 -0.69 . . . . 9.76 109.933 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.8 174.8 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 19.57 110.699 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -116.36 135.29 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.983 -0.377 . . . . 35.08 109.983 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.85 129.12 45.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.388 . . . . 32.31 111.044 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -134.61 140.2 45.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.561 . . . . 42.75 109.549 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.56 52.52 0.86 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.477 -0.868 . . . . 36.31 112.069 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.976 -0.902 . . . . 36.27 111.298 179.593 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.556 -0.164 . . . . 51.18 110.556 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -73.27 100.66 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 52.33 110.455 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.551 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 47.7 t -66.33 -51.49 43.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 45.08 112.045 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 40.8 Cg_exo -56.62 -41.33 77.04 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.842 1.695 . . . . 40.03 112.613 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -67.42 -47.4 70.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.581 0.229 . . . . 35.39 110.563 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 26.7 t-20 -60.56 -46.93 88.39 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.31 -0.405 . . . . 39.28 110.115 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.06 -42.8 91.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 39.58 110.216 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 22.3 tpp85 -61.42 -46.46 90.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.524 . . . . 38.87 110.437 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.71 -36.53 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.992 -0.549 . . . . 22.45 110.596 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 96.8 mt -62.95 -36.73 84.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 25.03 109.945 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -72.92 -32.08 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.675 -0.693 . . . . 36.37 110.696 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 6.9 mm-40 -60.75 -38.03 83.83 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.736 -0.468 . . . . 25.08 109.736 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.87 -36.55 64.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.749 -0.66 . . . . 28.37 109.945 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -52.94 62.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.838 -0.619 . . . . 45.48 110.062 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -61.99 -35.99 80.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 35.52 110.686 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.64 -48.55 55.67 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.742 -0.663 . . . . 31.25 113.087 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' O ' ' HZ ' ' B' ' 45' ' ' PHE . 2.3 tt0 -71.51 -22.43 61.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.766 0.283 . . . . 42.74 111.247 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.72 -13.26 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.671 -0.492 . . . . 47.38 109.671 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' HB ' ' B' ' 66' ' ' THR . . . 69.37 32.64 72.02 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.738 -0.665 . . . . 34.95 112.144 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.52 130.1 46.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.927 0.394 . . . . 28.2 110.515 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.63 -150.12 19.85 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.224 -0.751 . . . . 22.15 111.224 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.55 -72.23 0.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 15.15 110.637 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.54 -39.47 1.03 Allowed Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.804 -0.712 . . . . 12.29 111.429 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.547 HG22 HD22 ' B' ' 8' ' ' LEU . 46.6 p -81.71 -49.25 10.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.23 0.538 . . . . 13.75 110.256 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -80.92 142.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 14.12 110.37 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -138.24 153.83 49.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.302 -0.408 . . . . 14.51 110.311 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -147.22 164.28 33.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.136 -0.32 . . . . 16.01 110.136 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.6 -178.47 35.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.411 -0.676 . . . . 16.67 111.411 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.03 129.75 35.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.765 0.317 . . . . 25.73 110.62 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.57 -38.21 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.563 -0.532 . . . . 44.86 109.563 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.51 -49.41 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.492 -0.776 . . . . 55.38 110.66 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 67.29 -72.49 0.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.393 0.677 . . . . 59.05 111.719 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.95 -41.02 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.574 -0.285 . . . . 62.12 111.441 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -72.81 123.08 22.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.876 0.369 . . . . 57.57 110.417 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.0 mtt -87.08 3.87 44.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.642 0.608 . . . . 49.86 112.642 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 p -71.25 -24.17 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.299 -0.561 . . . . 34.17 110.046 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.22 58.33 3.11 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.206 -0.906 . . . . 26.52 110.643 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.551 -0.75 . . . . 22.44 111.106 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -103.62 128.18 50.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 40.81 111.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -125.87 136.1 52.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 18.23 109.812 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -89.7 129.45 36.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.738 0.304 . . . . 26.25 110.577 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.25 154.66 16.81 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.789 -0.924 . . . . 14.96 110.789 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.2 ttp -147.2 129.78 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.172 0.486 . . . . 21.59 110.693 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.1 mt -127.29 123.74 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.957 -0.565 . . . . 12.92 110.571 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 pt -86.33 126.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.473 -0.566 . . . . 12.18 109.473 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.631 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -61.54 127.0 40.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 13.21 112.408 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.7 Cg_exo -59.98 144.4 99.47 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.793 2.329 . . . . 14.44 112.288 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 20.5 Cg_exo -64.99 156.93 59.8 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.532 2.155 . . . . 17.43 112.391 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 65.89 21.14 11.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.364 -0.834 . . . . 32.61 112.451 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -125.13 179.89 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.1 -0.704 . . . . 17.94 109.1 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.07 -11.97 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 18.91 110.337 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.631 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 33.6 m-85 -103.17 8.78 38.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 16.86 110.142 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.11 129.41 30.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.916 0.71 . . . . 37.17 112.916 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t30 59.32 31.71 21.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.022 -0.99 . . . . 30.81 112.279 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -115.7 120.4 39.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.926 0.393 . . . . 25.62 110.95 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.1 mt -89.68 106.26 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.841 -0.618 . . . . 19.36 109.517 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 45.4 m-85 -99.71 126.57 45.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 12.92 111.378 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.64 142.01 28.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 13.09 110.351 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.67 159.64 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.067 0.46 . . . . 13.47 111.091 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.59 117.65 24.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.637 -0.711 . . . . 33.44 109.171 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -114.26 125.67 71.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 19.18 110.496 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' CD ' HH22 ' A' ' 86' ' ' ARG . 67.3 mt-10 -114.19 110.06 19.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.932 0.396 . . . . 42.22 110.823 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.0 109.98 16.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.722 -0.672 . . . . 25.59 110.14 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.09 173.76 38.43 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 26.42 112.94 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.67 -13.58 37.59 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 123.182 2.588 . . . . 31.44 112.428 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.37 -4.76 53.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 44.64 111.487 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -58.18 137.66 84.48 Favored Pre-proline 0 N--CA 1.466 0.347 0 N-CA-C 110.198 -0.297 . . . . 29.6 110.198 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -98.52 22.56 23.28 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 124.634 -0.986 . . . . 27.94 113.425 -0.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.66 -37.56 70.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.837 0.351 . . . . 36.76 110.842 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.73 146.36 34.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 30.58 110.822 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.75 130.8 30.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.876 2.384 . . . . 28.58 112.242 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.91 160.22 43.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 20.75 112.201 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.74 124.24 27.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.791 -0.448 . . . . 29.16 109.791 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.59 133.79 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 20.48 111.164 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.401 HH22 ' CD ' ' A' ' 73' ' ' GLU . 32.0 ptt-85 -150.44 150.08 30.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.116 -0.493 . . . . 41.41 109.953 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -90.92 151.09 21.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 16.6 110.593 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.3 t -98.77 -49.88 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 18.03 109.468 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.71 142.34 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.829 -0.623 . . . . 15.79 109.596 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 87.2 mttt -66.0 115.65 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.162 0.506 . . . . 35.04 110.834 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.9 tt -133.62 138.83 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.497 -0.774 . . . . 14.88 110.466 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.12 98.63 9.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.026 -0.731 . . . . 14.21 109.026 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.9 ttt -139.49 135.03 33.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.595 -0.729 . . . . 15.6 109.86 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -57.78 110.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 27.45 111.474 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.58 -7.69 13.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.008 -0.615 . . . . 23.3 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 103' ' ' VAL . 2.0 mp -110.13 134.99 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.648 0.261 . . . . 22.53 110.472 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -73.26 144.58 46.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 26.32 110.621 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -87.21 -13.52 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.662 0.616 . . . . 22.69 112.662 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 m -101.08 -57.42 2.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.774 0.321 . . . . 31.16 111.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -84.41 -28.22 27.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.805 0.336 . . . . 30.09 111.149 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.95 7.66 88.34 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 25.64 111.584 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.9 mtp -71.26 146.17 49.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.703 0.287 . . . . 38.85 110.855 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 96' ' ' ILE . 42.2 t -95.18 126.2 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.002 -0.544 . . . . 25.28 110.349 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.57 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 41.3 t0 -74.69 117.96 17.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 34.12 110.16 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.643 -0.708 . . . . 29.16 112.751 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.57 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 24.5 ptt-85 -76.51 -7.4 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.584 -0.446 . . . . 52.63 111.539 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 m -104.33 0.65 29.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.93 0.395 . . . . 34.05 110.402 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 104' ' ' ASP . 34.7 mm -120.81 117.91 30.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 26.63 109.845 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 -46.12 28.25 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.423 2.749 . . . . 26.05 114.562 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.89 -18.53 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.584 0.587 . . . . 25.84 112.584 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.7 mt -95.28 -38.75 10.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.68 0.276 . . . . 23.97 110.493 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.94 79.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.46 0.647 . . . . 28.65 110.06 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -115.76 49.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.515 -0.766 . . . . 39.1 109.383 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -61.19 144.81 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.186 -0.915 . . . . 29.08 111.195 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.01 152.11 48.97 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.784 -0.821 . . . . 45.36 108.784 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -63.21 -18.5 63.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.653 0.263 . . . . 37.64 111.659 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.14 0.35 45.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.925 0.393 . . . . 26.71 111.563 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -90.11 161.93 15.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.406 -0.361 . . . . 23.06 110.279 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -150.82 179.34 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 17.53 110.002 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.98 -44.34 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.046 0.451 . . . . 14.03 110.71 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -56.35 -41.13 75.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.443 -0.798 . . . . 24.78 111.104 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.02 -42.52 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 17.36 110.844 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.94 -48.91 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 14.42 110.827 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.4 -41.28 93.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 11.53 111.156 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.08 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.349 . . . . 16.85 110.791 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.51 -46.43 69.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 30.3 110.634 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.83 -41.19 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 14.04 110.533 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -66.59 -37.21 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 10.15 110.159 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -63.91 -37.38 87.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.216 0.532 . . . . 27.05 109.762 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.75 -24.47 61.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 17.72 110.862 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.0 -27.42 65.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.289 0.566 . . . . 18.11 110.241 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.411 ' HG3' ' HG2' ' A' ' 58' ' ' PRO . 53.8 mtm -93.27 9.13 37.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 22.93 110.587 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t -80.78 151.27 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 25.92 109.75 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HA ' ' SD ' ' A' ' 137' ' ' MET . 52.3 tptt -52.24 -39.38 60.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.052 0.76 . . . . 29.78 113.052 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -79.49 -1.61 38.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.376 0.88 . . . . 28.22 113.376 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -128.09 -36.17 1.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.487 0.551 . . . . 18.41 112.487 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.484 ' SD ' ' HA ' ' A' ' 134' ' ' LYS . 15.6 ptm -52.32 -23.17 5.4 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.907 1.077 . . . . 20.97 113.907 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -122.63 24.33 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.757 -0.377 . . . . 35.29 111.884 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 139' ' ' LEU . 10.2 mt -79.12 130.88 68.02 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.166 -0.309 . . . . 15.71 110.166 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.06 117.66 4.39 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.724 2.283 . . . . 19.11 111.553 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -92.61 136.46 25.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 20.51 111.286 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.27 169.74 19.99 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.599 2.199 . . . . 26.0 111.111 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -47.54 130.37 18.03 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.776 2.317 . . . . 30.09 112.285 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.67 136.01 54.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.263 -0.881 . . . . 46.96 111.316 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 106.65 -26.8 18.61 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.722 -0.751 . . . . 36.35 112.904 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.57 136.34 56.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 36.19 110.699 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 p -121.33 159.64 25.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.384 -0.371 . . . . 36.38 110.578 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 69.2 m-85 -72.28 -19.53 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 44.37 110.365 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -124.08 140.08 53.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.55 -0.75 . . . . 53.87 109.291 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.323 -0.846 . . . . 55.71 111.349 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.158 -0.312 . . . . 17.17 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -88.89 118.65 28.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.163 -0.472 . . . . 21.89 110.894 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.3 pt -118.25 165.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.023 -0.732 . . . . 10.83 109.023 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.5 m-85 -124.77 131.43 53.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.746 0.307 . . . . 10.61 110.711 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.462 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 22.1 t -109.64 119.87 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.869 -0.789 . . . . 9.13 108.869 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 86.2 tttt -113.8 124.03 51.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.05 0.452 . . . . 20.55 111.09 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.499 HG23 HD23 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -83.49 169.01 15.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.649 -0.705 . . . . 11.78 110.262 179.101 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 35' ' ' THR . 18.6 mt -64.15 -21.02 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.91 0.386 . . . . 19.31 111.074 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -17.15 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 23.14 110.774 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -8.46 47.47 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.883 -0.599 . . . . 19.74 111.718 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 59.4 tttm -63.14 129.33 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 21.93 110.212 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -117.15 116.52 27.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.325 -0.398 . . . . 12.33 111.067 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.3 pt -110.77 153.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.983 0.42 . . . . 17.08 110.829 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 138.29 36.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.879 -0.6 . . . . 16.3 110.074 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 tp -138.55 137.74 37.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.862 0.363 . . . . 15.88 110.831 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -110.15 107.98 17.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 28.9 110.469 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' B' ' 1' ' ' MET . 1.6 m -140.24 165.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.685 -0.689 . . . . 12.05 109.896 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.6 mm-40 -103.86 157.08 34.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 18.17 109.398 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.19 -25.63 72.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.281 1.988 . . . . 8.16 111.977 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.42 -2.35 45.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.577 -0.738 . . . . 11.13 111.479 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 5.1 m-20 -83.74 139.7 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.469 . . . . 18.03 109.735 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 35.8 p -87.1 158.77 19.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.22 110.863 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -55.84 -37.04 45.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.189 0.519 . . . . 12.3 110.452 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.5 -45.02 89.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.495 -0.775 . . . . 36.51 110.797 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -70.27 -34.08 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.011 -0.54 . . . . 25.66 110.574 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 72.3 t -61.39 -43.99 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 8.12 109.95 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.4 -33.72 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.74 . . . . 15.47 111.038 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.8 97.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 11.45 110.85 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.8 -35.49 77.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 24.98 110.278 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.01 -41.15 84.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 9.46 109.943 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.87 -27.39 68.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 14.76 111.147 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.48 -42.73 74.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.178 -0.465 . . . . 26.29 112.025 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -95.49 -38.51 10.42 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.147 0.795 . . . . 30.06 113.147 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.73 -28.22 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.093 0.405 . . . . 25.19 112.093 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.38 7.02 88.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.387 -0.911 . . . . 7.41 112.566 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.49 120.41 75.42 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 122.975 -0.132 . . . . 9.49 110.742 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 41.0 Cg_exo -58.38 133.37 54.42 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.871 2.38 . . . . 11.42 112.088 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.4 Cg_exo -52.71 -27.41 33.62 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.473 2.782 . . . . 12.0 113.608 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.91 -35.59 81.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 35.55 110.844 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -89.34 5.11 46.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 20.52 110.612 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -100.06 141.36 32.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 7.13 110.731 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.0 ttp180 -155.57 112.86 3.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.582 -0.896 . . . . 36.39 108.582 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.76 133.37 36.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.343 0.592 . . . . 9.55 112.011 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' B' ' 49' ' ' GLN . 30.3 mm -118.78 129.32 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.18 -0.918 . . . . 13.9 109.263 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.422 ' HZ ' ' O ' ' A' ' 28' ' ' GLN . 10.6 t80 -153.68 147.76 25.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.571 0.224 . . . . 6.86 110.886 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 14.87 5.68 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.767 -0.651 . . . . 11.15 112.202 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.56 18.72 59.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.906 -0.664 . . . . 13.93 112.361 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.73 160.96 38.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.555 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.418 ' HA ' HD13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -84.77 133.3 34.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 23.23 110.174 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' B' ' 59' ' ' TYR . 11.7 mt -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.438 -0.346 . . . . 9.11 110.474 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.546 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.3 tt0 -69.35 137.71 53.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.748 -0.464 . . . . 33.44 109.748 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.3 m-20 -58.37 -31.0 67.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.185 0.809 . . . . 28.37 113.185 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.21 24.7 20.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.355 -0.926 . . . . 15.0 113.334 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 7.8 mmt180 -115.94 162.56 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.864 0.364 . . . . 25.5 110.569 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.1 OUTLIER -93.58 163.35 13.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 11.95 110.086 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.03 -36.51 83.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.096 0.474 . . . . 10.17 110.63 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -19.06 63.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.05 -0.523 . . . . 13.59 111.656 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.7 m-20 -65.33 -18.67 65.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.834 0.35 . . . . 11.7 111.386 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.442 ' CG ' HD22 ' B' ' 50' ' ' LEU . 91.5 m-85 -122.18 16.23 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.384 -0.371 . . . . 12.95 110.775 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 60.25 32.31 20.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.744 -0.662 . . . . 25.45 111.561 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.3 124.55 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 14.6 109.941 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mt-30 -124.22 -170.2 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.253 -0.431 . . . . 33.23 110.843 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 ptmt -68.03 152.91 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 25.97 111.367 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.78 3.5 3.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.531 -0.759 . . . . 32.61 112.295 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 27.3 m -79.19 126.98 31.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 10.56 110.087 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -92.23 105.7 17.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.868 -0.605 . . . . 5.33 111.139 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -80.65 141.63 34.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 11.66 109.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.406 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 54.0 m170 -92.67 114.82 27.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.548 -0.296 . . . . 16.3 110.41 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.499 HD23 HG23 ' B' ' 7' ' ' THR . 34.9 tp -93.54 98.23 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.268 0.556 . . . . 9.96 110.198 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 43.7 t -92.17 108.56 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 9.76 110.222 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 64.2 mt -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 19.57 111.635 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -106.15 96.5 6.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.631 -0.713 . . . . 35.08 110.155 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -84.14 126.14 32.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.794 -0.639 . . . . 32.31 110.811 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -109.42 122.77 48.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.321 -0.4 . . . . 42.75 110.2 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.71 139.33 5.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.707 -0.759 . . . . 36.31 111.777 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.105 0 CA-C-O 119.017 -0.879 . . . . 36.27 111.087 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.292 -0.262 . . . . 51.18 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -69.58 97.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 52.33 110.473 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 29.5 t -55.85 -51.87 76.95 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.652 0.612 . . . . 45.08 112.652 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 45.1 Cg_exo -57.71 -42.96 54.36 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.897 1.731 . . . . 40.03 112.292 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -68.51 -45.89 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 35.39 110.682 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.06 -46.03 92.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 39.28 110.373 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.33 -40.77 97.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 39.58 110.159 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 38.87 109.936 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.93 -37.13 85.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 22.45 110.228 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.87 -36.23 77.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 25.03 110.218 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.11 -51.05 61.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.016 -0.538 . . . . 36.37 110.231 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 12.3 mt-10 -64.66 -28.62 69.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.067 -0.515 . . . . 25.08 110.599 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 tp -63.2 -45.43 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.501 -0.555 . . . . 28.37 109.501 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.92 -35.66 80.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.527 -0.76 . . . . 45.48 109.781 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.34 -25.3 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.671 . . . . 35.52 110.68 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.18 -17.93 77.66 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.56 -0.616 . . . . 31.25 111.56 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.76 1.99 56.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.321 0.581 . . . . 42.74 110.157 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.53 -30.09 2.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 47.38 111.055 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' HA3' ' NE2' ' B' ' 68' ' ' HIS . . . 76.36 49.37 8.33 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.699 . . . . 34.95 111.365 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.61 102.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.682 0.277 . . . . 28.2 110.607 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.49 -135.09 3.01 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.976 -0.63 . . . . 22.15 111.852 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -29.17 65.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.711 0.291 . . . . 15.15 111.014 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.17 -20.28 11.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.378 -0.915 . . . . 12.29 113.925 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.479 HG22 HD22 ' B' ' 8' ' ' LEU . 54.0 p -103.67 -33.46 8.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.18 0.49 . . . . 13.75 111.703 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.63 146.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.031 0.443 . . . . 14.12 111.855 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -146.22 140.68 26.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 14.51 109.882 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -135.15 169.81 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.543 -0.299 . . . . 16.01 110.817 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.62 -173.85 42.58 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.948 -0.861 . . . . 16.67 110.948 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.25 148.66 35.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.423 0.612 . . . . 25.73 110.733 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 0.9 OUTLIER -92.45 -66.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.192 -0.458 . . . . 44.86 110.621 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 3.9 t70 -73.06 -33.24 65.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 55.38 111.26 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 17.3 t70 74.57 -51.95 0.68 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.795 0.684 . . . . 59.05 111.513 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.15 -35.14 49.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.251 . . . . 62.12 111.521 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.88 110.64 2.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.049 0.452 . . . . 57.57 110.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 mmt -77.63 2.35 16.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 49.86 112.535 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 p -69.97 -25.78 63.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.64 0.257 . . . . 34.17 110.914 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 mt 58.23 29.36 17.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.692 -0.685 . . . . 26.52 110.671 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -89.24 -33.41 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.927 -0.578 . . . . 22.44 111.801 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -107.09 121.61 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 40.81 111.666 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -120.18 153.87 35.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 18.23 110.428 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.484 ' OG1' ' HA ' ' A' ' 41' ' ' GLU . 23.6 m -100.83 130.44 46.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.062 -0.517 . . . . 26.25 110.523 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.55 124.38 6.1 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.124 -0.79 . . . . 14.96 111.124 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttp -112.89 128.17 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.194 0.497 . . . . 21.59 110.473 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.9 mt -125.63 124.56 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.104 -0.498 . . . . 12.92 110.599 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 pt -90.92 123.45 43.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.332 -0.618 . . . . 12.18 109.332 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.65 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.18 133.74 45.35 Favored Glycine 0 N--CA 1.449 -0.453 0 O-C-N 123.45 0.469 . . . . 13.21 112.984 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 42.6 Cg_endo -67.86 151.45 78.33 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.761 2.307 . . . . 14.44 112.268 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 21.4 Cg_exo -65.49 158.47 52.75 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.641 2.227 . . . . 17.43 113.134 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 60.55 27.8 17.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.258 -0.883 . . . . 32.61 112.514 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 59' ' ' PRO . 27.1 p -130.61 -179.17 5.13 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 110.118 -0.327 . . . . 17.94 110.118 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -81.32 -3.23 51.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 18.91 109.883 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.65 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 25.3 m-85 -108.39 -0.75 20.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 16.86 109.643 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.06 129.87 35.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.482 -0.781 . . . . 37.17 112.029 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 67.1 15.1 10.02 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.203 -0.908 . . . . 30.81 112.184 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.76 129.51 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 25.62 110.58 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.8 mt -102.0 113.58 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.963 -0.562 . . . . 19.36 109.552 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.6 m-85 -105.36 142.18 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 12.92 111.831 -178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.35 130.85 54.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.516 -0.765 . . . . 13.09 110.412 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.514 HD21 ' CZ ' ' A' ' 87' ' ' PHE . 6.0 mp -125.34 161.46 26.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 13.47 110.899 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.27 123.02 39.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 33.44 109.493 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.3 122.14 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.153 -0.476 . . . . 19.18 110.42 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.57 107.03 17.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.441 . . . . 42.22 111.117 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.0 m -83.47 103.22 12.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.748 -0.66 . . . . 25.59 109.577 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.54 174.61 17.96 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.9 -0.591 . . . . 26.42 113.087 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.42 -21.79 71.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.852 2.368 . . . . 31.44 112.291 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -91.53 2.81 56.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.568 -0.287 . . . . 44.64 111.551 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 87.6 t80 -58.74 136.44 86.72 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.891 -0.411 . . . . 29.6 109.891 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -99.3 21.27 23.02 Favored 'Cis proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.592 0.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.11 -33.3 71.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.147 0.499 . . . . 36.76 110.306 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.19 27.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 30.58 110.448 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.56 123.65 12.4 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.681 2.254 . . . . 28.58 112.385 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.33 152.2 71.51 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.899 2.399 . . . . 20.75 112.234 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 128.27 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 29.16 110.13 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.581 HG21 HG11 ' A' ' 123' ' ' VAL . 17.1 t -125.67 134.31 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 20.48 111.14 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -145.81 146.66 31.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 41.41 110.772 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 26.1 m-85 -88.92 138.97 30.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 16.6 110.111 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.9 t -93.64 -44.16 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.533 . . . . 18.03 109.654 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.526 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -81.46 148.24 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.492 -0.776 . . . . 15.79 110.249 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 84.4 mttt -66.46 121.71 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 35.04 111.517 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.723 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.2 tt -145.45 130.6 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 14.88 110.978 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.87 92.7 6.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.34 -0.615 . . . . 14.21 109.34 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.3 ttt -130.03 142.3 50.64 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.264 -0.88 . . . . 15.6 109.591 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.92 115.01 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 27.45 111.013 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.59 -10.68 30.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.982 -0.628 . . . . 23.3 111.985 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.51 126.51 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.286 -0.264 . . . . 22.53 110.286 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.35 133.52 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 26.32 110.31 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -82.75 -1.55 51.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.046 0.758 . . . . 22.69 113.046 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 m -113.13 -55.28 2.54 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.764 -0.374 . . . . 31.16 111.576 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 p -92.16 -25.27 18.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.414 -0.357 . . . . 30.09 111.38 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.83 8.81 75.62 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.554 -0.831 . . . . 25.64 111.788 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.6 mtp -68.9 133.78 48.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.825 0.345 . . . . 38.85 110.869 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.6 t -89.09 134.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.125 -0.488 . . . . 25.28 110.377 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.427 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 5.2 t0 -79.24 127.35 31.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 34.12 110.085 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.111 0.782 . . . . 29.16 113.111 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 32.8 ptt-85 -77.05 -9.62 58.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.383 -0.527 . . . . 52.63 111.663 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 m -85.7 -24.88 26.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 34.05 109.95 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.28 122.46 48.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 26.63 110.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 -48.55 20.91 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.971 2.447 . . . . 26.05 113.615 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 126' ' ' GLU . 23.1 m -69.0 -18.44 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.381 0.511 . . . . 25.84 112.381 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.39 -42.81 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.922 -0.399 . . . . 23.97 109.922 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -65.28 -42.81 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.454 -0.573 . . . . 28.65 109.454 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 62.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.94 -1.133 . . . . 39.1 107.94 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -74.71 133.69 42.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.132 -0.94 . . . . 29.08 111.814 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -118.54 149.0 42.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.916 -1.038 . . . . 45.36 108.204 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.82 -2.1 11.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 37.64 111.619 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.18 6.5 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 26.71 110.306 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -104.2 171.69 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 23.06 110.08 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 p -158.1 -173.24 4.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.463 -0.335 . . . . 17.53 110.459 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 30.5 mt -55.75 -41.33 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.319 0.581 . . . . 14.03 110.239 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 27.4 ttpt -57.33 -48.04 80.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.076 -0.965 . . . . 24.78 111.089 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.27 -41.99 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 17.36 110.976 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 85' ' ' VAL . 77.6 t -61.18 -47.75 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 14.42 110.808 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 120' ' ' ILE . 87.9 mt -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 11.53 111.196 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 22.8 mt-30 -65.6 -38.23 88.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.365 . . . . 16.85 110.714 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 110' ' ' VAL . 5.2 tp10 -66.25 -46.4 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 30.3 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 131' ' ' MET . 66.5 mt -56.98 -43.2 81.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 14.04 110.843 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 128' ' ' ARG . 26.8 ttt180 -67.99 -34.8 77.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 10.15 110.936 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.34 -41.64 96.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.079 0.466 . . . . 27.05 109.926 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.2 -15.47 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 17.72 110.965 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 61.2 mtt -79.76 -22.91 42.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.058 0.456 . . . . 18.11 109.94 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 77.7 mtm -86.94 -6.48 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 22.93 110.086 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.1 m -72.21 142.43 49.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.617 -0.719 . . . . 25.92 110.283 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.08 -30.76 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.531 0.567 . . . . 29.78 112.531 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -75.18 -5.02 42.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.439 0.533 . . . . 28.22 112.439 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.409 ' HA ' ' HG ' ' A' ' 139' ' ' LEU . 73.6 m-20 -130.13 -42.48 1.22 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.022 0.378 . . . . 18.41 112.022 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.9 ptm -54.66 -26.68 34.76 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.203 0.816 . . . . 20.97 113.203 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -112.1 28.91 8.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.136 0.421 . . . . 35.29 112.136 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 136' ' ' ASN . 30.8 mt -91.99 133.82 29.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.02 -0.272 . . . . 15.71 110.324 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.51 124.73 16.96 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.701 2.267 . . . . 19.11 111.209 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -102.26 146.11 31.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.267 0.469 . . . . 20.51 112.267 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.55 170.7 19.42 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.188 2.592 . . . . 26.0 111.558 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.31 116.98 2.55 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.691 2.26 . . . . 30.09 112.763 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.39 135.34 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 46.96 110.832 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 107.35 -22.06 29.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.663 -0.78 . . . . 36.35 111.957 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -76.74 144.23 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.383 . . . . 36.19 110.605 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 161.67 19.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.006 -0.543 . . . . 36.38 110.105 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 48.5 m-85 -76.17 -23.07 54.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 44.37 110.028 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.29 134.51 34.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 53.87 109.538 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 66.0 t30 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.249 -0.881 . . . . 55.71 110.536 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.742 0.306 . . . . 17.17 110.243 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.34 124.57 41.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.094 -0.503 . . . . 21.89 110.421 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -123.69 170.12 14.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.85 -0.426 . . . . 10.83 109.85 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.7 m-85 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.931 0.396 . . . . 10.61 110.945 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.42 109.5 28.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.13 -0.693 . . . . 9.13 109.13 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -105.53 126.41 52.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.082 0.468 . . . . 20.55 111.006 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -87.15 173.59 9.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.805 -0.634 . . . . 11.78 109.744 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.544 HD11 HG13 ' B' ' 70' ' ' VAL . 38.0 mt -75.83 -5.5 46.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.253 0.549 . . . . 19.31 110.244 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -17.65 24.54 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.244 -0.889 . . . . 23.14 110.545 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.25 -23.82 15.37 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.822 -0.704 . . . . 19.74 112.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.95 110.92 1.01 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.942 0.401 . . . . 21.93 110.762 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -109.56 111.31 22.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.951 -0.568 . . . . 12.33 110.045 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 pt -104.02 156.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.994 -0.548 . . . . 17.08 110.878 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 145.96 24.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.074 -0.512 . . . . 16.3 109.793 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -140.65 141.71 35.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.758 0.313 . . . . 15.88 110.295 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -111.63 108.37 17.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.051 -0.522 . . . . 28.9 110.771 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' B' ' 1' ' ' MET . 2.8 m -145.66 166.2 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.652 -0.704 . . . . 12.05 109.648 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -104.18 154.64 38.08 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.254 -0.647 . . . . 18.17 109.254 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.4 Cg_exo -56.22 -28.38 70.87 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.48 2.12 . . . . 8.16 112.589 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -6.93 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 11.13 111.99 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -75.21 142.74 43.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.027 0.442 . . . . 18.03 111.239 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.26 153.3 31.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 10.22 111.4 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.26 -37.15 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 12.3 110.308 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.05 -39.49 90.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 36.51 110.036 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -68.31 -38.33 81.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.978 -0.556 . . . . 25.66 109.935 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.406 ' O ' HG13 ' B' ' 30' ' ' ILE . 71.9 t -59.48 -44.92 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 8.12 109.66 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.54 -40.1 93.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.736 -0.665 . . . . 15.47 110.601 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.41 89.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.775 -0.648 . . . . 11.45 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -68.57 -31.8 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 24.98 110.425 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' B' ' 26' ' ' VAL . 84.5 mt -71.12 -40.93 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 9.46 109.808 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.2 -29.07 70.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 14.76 110.806 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.16 -30.86 66.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 26.29 112.228 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -103.35 -41.96 5.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 30.06 112.575 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -87.86 -36.36 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.857 0.317 . . . . 25.19 111.857 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.42 35.49 10.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.366 -0.921 . . . . 7.41 112.142 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.54 121.32 42.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.014 -0.365 . . . . 9.49 110.014 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -55.27 132.22 50.93 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.808 2.339 . . . . 11.42 112.43 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.1 Cg_exo -54.72 -28.48 57.16 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.128 2.552 . . . . 12.0 112.151 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.72 -35.76 75.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.587 . . . . 35.55 111.43 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -94.69 0.26 54.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 20.52 110.795 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -89.87 130.45 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.971 -0.558 . . . . 7.13 110.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.587 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 29.6 ttp180 -144.23 112.53 6.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.877 -0.786 . . . . 36.39 108.877 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.89 133.54 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 9.55 111.985 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -114.95 134.53 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.332 -0.849 . . . . 13.9 109.692 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.711 ' HB3' HD21 ' B' ' 50' ' ' LEU . 57.1 t80 -155.95 142.18 18.35 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.697 -0.229 . . . . 6.86 110.632 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.93 29.33 16.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.935 0.494 . . . . 11.15 112.107 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.7 37.22 67.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.842 -0.694 . . . . 13.93 112.393 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -157.77 165.88 34.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 0.0 110.236 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -91.85 135.33 34.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.23 -0.441 . . . . 23.23 110.512 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -80.64 129.35 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.375 -0.375 . . . . 9.11 110.76 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.25 133.97 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 33.44 110.144 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.33 -36.28 68.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 28.37 112.363 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.2 -7.94 88.06 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.775 -0.726 . . . . 15.0 113.52 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.81 172.02 8.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.219 0.51 . . . . 25.5 111.14 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 27.7 p -111.75 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 11.95 110.489 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 61' ' ' ILE . 99.1 mt -65.77 -38.85 90.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 10.17 110.821 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.3 m -67.7 -16.21 64.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 13.59 111.561 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 55' ' ' THR . 16.3 m-20 -73.14 -16.87 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 11.7 111.114 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.31 17.35 9.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.521 -0.309 . . . . 12.95 110.912 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 53.9 t30 60.16 35.99 21.07 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.903 -0.59 . . . . 25.45 110.861 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.406 HG12 ' CE2' ' B' ' 45' ' ' PHE . 64.4 mt -83.07 115.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.439 . . . . 14.6 110.364 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -99.12 -163.4 1.03 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.058 -0.519 . . . . 33.23 109.923 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.5 159.74 25.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.164 -0.31 . . . . 25.97 110.164 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.98 18.6 10.04 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.543 0.527 . . . . 32.61 111.703 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -77.51 147.65 35.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 10.56 109.329 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.7 m -112.75 99.88 8.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.239 0.543 . . . . 5.33 111.17 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 24.4 mt -78.4 141.61 38.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.47 -0.786 . . . . 11.66 109.295 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.44 ' NE2' ' HA3' ' A' ' 30' ' ' GLY . 14.1 m-70 -103.68 118.65 37.22 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.984 -0.287 . . . . 16.3 110.284 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 tp -91.73 106.45 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.051 -0.522 . . . . 9.96 110.871 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 57.4 t -98.16 98.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.613 -0.721 . . . . 9.76 109.467 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.99 138.17 19.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.739 -0.664 . . . . 19.57 111.749 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -90.33 103.49 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 35.08 109.932 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.498 ' H ' HD12 ' B' ' 73' ' ' LEU . 5.6 mp -61.52 124.52 20.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.939 -0.573 . . . . 32.31 110.484 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -119.13 -5.39 10.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 42.75 110.804 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.13 140.38 10.31 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.887 -0.673 . . . . 36.31 111.848 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.609 -1.106 . . . . 36.27 112.0 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.313 -0.254 . . . . 51.18 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -72.77 86.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 52.33 109.926 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 48.1 t -58.39 -50.41 88.19 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.682 0.623 . . . . 45.08 112.682 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 51.3 Cg_exo -53.31 -49.01 18.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.902 1.735 . . . . 40.03 112.577 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -62.45 -49.78 74.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 35.39 110.809 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.78 -51.42 69.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 39.28 111.511 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.63 -40.75 97.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 39.58 111.297 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -59.4 -47.48 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.055 0.455 . . . . 38.87 110.194 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.15 -31.05 71.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.64 -0.709 . . . . 22.45 110.794 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.46 -37.41 86.79 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.109 -0.7 . . . . 25.03 109.109 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 52.5 mt-10 -69.54 -45.13 69.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.618 -0.719 . . . . 36.37 109.508 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' CD ' ' HB2' ' A' ' 119' ' ' SER . 3.2 mt-10 -58.84 -33.76 70.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 25.08 110.57 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.47 -43.97 93.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.595 . . . . 28.37 109.901 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.65 -34.34 60.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 45.48 110.221 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 41.7 mm-40 -57.26 -39.66 76.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 35.52 110.71 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.14 -17.78 76.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.2 -0.524 . . . . 31.25 112.643 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -94.1 -4.22 49.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.057 0.456 . . . . 42.74 110.295 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -116.43 -56.77 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.793 -0.639 . . . . 47.38 110.453 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.44 45.35 3.01 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.933 -0.651 . . . . 34.95 112.018 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.8 112.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.047 0.451 . . . . 28.2 110.354 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.14 -118.48 1.55 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.076 -0.81 . . . . 22.15 111.076 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.57 -43.85 88.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 15.15 110.141 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.51 -25.02 18.75 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.847 -0.692 . . . . 12.29 112.759 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.4 HG22 HD22 ' B' ' 8' ' ' LEU . 32.2 p -83.84 -42.19 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.808 0.337 . . . . 13.75 111.357 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.88 126.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 14.12 112.173 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -137.7 132.26 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 14.51 109.264 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -152.38 170.81 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 16.01 110.719 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -176.54 40.61 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.819 -0.628 . . . . 16.67 111.616 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 48' ' ' LEU . 2.4 mt -70.73 135.59 48.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.548 0.174 . . . . 25.73 110.714 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -77.02 -48.12 18.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.125 0.488 . . . . 44.86 110.0 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.67 -37.39 59.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.656 -0.702 . . . . 55.38 110.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 73.77 -50.18 0.69 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.294 -0.866 . . . . 59.05 111.156 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.88 -47.23 19.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 62.12 110.955 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 47' ' ' THR . 52.2 t0 -63.16 114.65 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 57.57 110.367 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.0 mtt -85.97 10.82 12.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.622 0.601 . . . . 49.86 112.622 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.459 HG23 ' OD1' ' A' ' 45' ' ' ASP . 74.8 p -70.68 -23.03 62.41 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.588 -0.445 . . . . 34.17 110.128 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' HA ' HD21 ' A' ' 40' ' ' LEU . 2.5 mt 59.12 35.75 23.84 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.228 -0.896 . . . . 26.52 110.515 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.4 m -91.22 -35.65 14.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 22.44 111.946 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.2 mtm-85 -109.18 121.55 45.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 40.81 110.751 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -121.82 155.13 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 18.23 111.856 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.7 m -116.66 108.57 16.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.362 -0.835 . . . . 26.25 109.391 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.41 131.1 10.49 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.703 -0.761 . . . . 14.96 111.391 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttp -118.19 123.04 44.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.197 0.499 . . . . 21.59 110.541 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.7 mt -112.87 118.15 57.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.064 -0.517 . . . . 12.92 110.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.08 123.54 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.103 -0.498 . . . . 12.18 109.694 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -64.51 130.97 37.78 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.991 -0.623 . . . . 13.21 112.388 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 53.4 Cg_endo -69.26 141.02 46.08 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.756 2.304 . . . . 14.44 112.151 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 25.8 Cg_exo -62.54 161.73 26.92 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.501 2.134 . . . . 17.43 112.256 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 69.17 22.51 6.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.62 -0.718 . . . . 32.61 111.972 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -137.05 179.59 6.29 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.89 -0.411 . . . . 17.94 109.89 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -74.44 -4.77 38.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 18.91 110.607 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 34.3 m-85 -113.69 9.92 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 16.86 110.663 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -51.84 121.79 7.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.883 0.697 . . . . 37.17 112.883 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 t30 72.53 -10.8 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.84 0.856 . . . . 30.81 113.048 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -66.43 143.71 56.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 25.62 112.014 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.7 mt -111.87 111.61 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 19.36 109.488 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 58.2 m-85 -105.05 123.41 47.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.069 0.461 . . . . 12.92 111.354 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.79 132.72 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 13.09 109.825 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.51 148.17 47.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.97 0.414 . . . . 13.47 111.202 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -114.52 112.86 23.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.754 -0.657 . . . . 33.44 109.408 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.31 127.07 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.396 -0.366 . . . . 19.18 110.743 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 49' ' ' THR . 79.9 mt-10 -119.68 117.69 28.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.042 -0.526 . . . . 42.22 110.619 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.8 m -102.75 112.85 25.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.96 -0.564 . . . . 25.59 109.992 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.21 -168.77 33.42 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.863 -0.684 . . . . 26.42 113.454 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.42 -12.25 29.37 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.826 3.017 . . . . 31.44 113.397 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -88.63 -5.46 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.026 0.441 . . . . 44.64 110.861 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 23.7 t80 -70.35 144.27 91.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 29.6 109.278 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 69.0 Cg_endo -96.44 16.33 35.57 Favored 'Cis proline' 0 C--N 1.348 0.536 0 C-N-CA 124.547 -1.022 . . . . 27.94 113.264 -0.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -70.08 -38.42 75.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 36.76 110.524 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.77 155.11 39.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.908 -0.587 . . . . 30.58 110.357 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -68.12 143.29 58.98 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.665 2.244 . . . . 28.58 112.161 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.55 177.51 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.654 2.236 . . . . 20.75 112.26 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -98.88 125.0 44.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.601 -0.518 . . . . 29.16 109.601 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.19 128.81 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.802 0.334 . . . . 20.48 111.371 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -142.58 144.99 33.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 41.41 110.134 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -87.7 145.85 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 16.6 111.029 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.09 -50.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.994 -0.743 . . . . 18.03 108.994 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 139.59 37.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.821 . . . . 15.79 109.923 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -63.54 126.58 27.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 35.04 111.261 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 11.2 tt -144.24 135.96 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 14.88 110.846 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.445 ' ND2' ' HD3' ' A' ' 142' ' ' PRO . 79.8 m-20 -99.92 84.36 2.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.187 -0.672 . . . . 14.21 109.187 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.1 ttt -127.18 142.69 51.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.692 -0.685 . . . . 15.6 110.699 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.02 113.24 2.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 27.45 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.59 -11.65 15.96 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.952 -0.642 . . . . 23.3 112.644 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.71 135.38 45.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 122.617 -0.343 . . . . 22.53 110.791 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.12 136.54 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 26.32 109.854 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.67 -12.15 60.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.047 0.758 . . . . 22.69 113.047 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -101.43 -60.83 1.46 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.806 -0.358 . . . . 31.16 111.608 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 p -80.44 -35.94 34.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.021 0.439 . . . . 30.09 111.387 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.63 6.97 67.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.682 -0.771 . . . . 25.64 111.906 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 ttp -74.83 146.53 41.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.582 0.23 . . . . 38.85 110.456 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.65 134.74 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.304 -0.407 . . . . 25.28 110.781 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.11 111.84 20.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.087 -0.506 . . . . 34.12 110.146 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.98 -35.37 71.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.916 -0.584 . . . . 29.16 112.297 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -23.27 67.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 52.63 111.666 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -99.36 3.76 46.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.644 -0.253 . . . . 34.05 111.674 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.4 mm -119.31 118.02 32.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.896 -0.409 . . . . 26.63 109.896 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.88 -51.27 8.56 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.678 2.918 . . . . 26.05 114.938 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.14 -18.81 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 113.052 0.76 . . . . 25.84 113.052 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.79 -37.35 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.664 -0.415 . . . . 23.97 110.544 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.8 60.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.653 -0.499 . . . . 28.65 109.653 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 59.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.501 -0.925 . . . . 39.1 108.501 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -70.15 136.13 49.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.238 -0.892 . . . . 29.08 111.91 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -123.82 151.83 42.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.51 -0.922 . . . . 45.36 108.51 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -65.96 -10.47 39.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 37.64 111.427 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.45 59.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.208 -0.451 . . . . 26.71 110.693 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.98 178.72 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 23.06 110.844 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.455 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 4.6 p -161.14 176.8 10.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 17.53 109.652 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.78 -36.57 77.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 109.083 -0.71 . . . . 14.03 109.083 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -55.49 -42.57 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 24.78 110.543 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.64 -42.06 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 17.36 110.715 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.68 -49.03 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 14.42 111.33 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.91 -42.82 98.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 11.53 111.382 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -68.82 -36.85 78.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 16.85 110.915 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -65.85 -45.74 81.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 30.3 110.257 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 131' ' ' MET . 92.1 mt -60.94 -42.54 98.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 14.04 110.63 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.52 -37.51 87.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.37 -0.377 . . . . 10.15 110.409 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -65.67 -40.09 92.03 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.873 -0.417 . . . . 27.05 109.873 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.5 -28.19 67.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 17.72 110.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 63.4 mtt -67.35 -28.81 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.247 0.546 . . . . 18.11 109.978 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.8 mtm -91.73 4.63 52.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 22.93 110.863 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 t -74.36 152.2 39.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.621 -0.511 . . . . 25.92 109.621 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -53.79 -34.3 58.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.962 0.727 . . . . 29.78 112.962 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -86.65 7.42 26.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.722 0.638 . . . . 28.22 112.722 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -134.11 -35.11 0.95 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.259 0.466 . . . . 18.41 112.259 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 14.2 ptm -63.9 -18.26 64.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.883 0.698 . . . . 20.97 112.883 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -121.98 40.27 3.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 35.29 111.391 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.02 133.55 20.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 15.71 110.694 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.27 115.61 2.62 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.781 2.321 . . . . 19.11 111.497 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -96.42 141.1 22.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 20.51 111.637 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 43.4 Cg_endo -67.76 165.7 26.83 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.942 2.428 . . . . 26.0 111.874 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -46.2 126.82 10.23 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.259 2.639 . . . . 30.09 112.787 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.61 130.03 42.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 46.96 111.03 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.6 -10.77 30.4 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.705 -0.759 . . . . 36.35 112.423 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -81.9 138.33 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.061 0.458 . . . . 36.19 111.189 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 p -114.15 158.38 21.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.718 -0.674 . . . . 36.38 110.259 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.81 -35.39 72.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 44.37 110.444 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -119.27 169.33 10.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.921 -0.77 . . . . 53.87 108.921 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.084 -0.96 . . . . 55.71 110.554 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.973 -0.38 . . . . 17.17 109.973 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -95.41 131.76 41.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.059 0.457 . . . . 21.89 111.571 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 pt -132.7 169.49 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.608 -0.724 . . . . 10.83 109.368 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.01 137.57 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.859 0.361 . . . . 10.61 110.554 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 40.4 t -113.01 114.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.505 . . . . 9.13 109.638 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -97.3 114.5 26.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.08 -0.509 . . . . 20.55 110.135 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.428 HG22 HD23 ' B' ' 69' ' ' LEU . 26.0 p -82.53 164.21 21.03 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.918 -0.583 . . . . 11.78 110.259 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.67 HD11 HG13 ' B' ' 70' ' ' VAL . 19.3 mt -69.46 -21.22 63.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.685 -0.487 . . . . 19.31 109.685 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -38.52 68.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.368 -0.833 . . . . 23.14 110.296 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.06 -18.92 5.83 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.661 -0.78 . . . . 19.74 112.888 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -68.87 110.5 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 21.93 110.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.25 105.95 17.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 12.33 109.525 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.414 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 22.9 pt -95.66 162.33 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.047 0.451 . . . . 17.08 111.446 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -105.37 146.27 29.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.797 -0.638 . . . . 16.3 109.523 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tp -145.13 148.92 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 15.88 110.928 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -114.62 109.8 18.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.878 -0.601 . . . . 28.9 109.89 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.622 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.8 m -133.89 162.27 39.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.15 -0.477 . . . . 12.05 110.845 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 20.9 mm-40 -104.87 155.0 38.22 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.102 -0.703 . . . . 18.17 109.102 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.78 -28.88 69.25 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.092 . . . . 8.16 112.926 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.97 3.34 51.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 11.13 111.825 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.1 t0 -75.26 142.71 43.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.975 0.417 . . . . 18.03 110.428 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' B' ' 26' ' ' VAL . 17.4 p -89.26 153.61 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 10.22 110.371 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.6 mm -59.92 -32.19 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 12.3 111.0 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.52 -43.87 97.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.886 0.374 . . . . 36.51 110.275 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -67.75 -34.86 77.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 25.66 109.696 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 22' ' ' THR . 89.2 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.835 -0.62 . . . . 8.12 109.513 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.75 -39.03 90.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 15.47 110.418 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 11.45 110.7 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.14 -39.12 93.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 24.98 110.209 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.25 -38.44 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.811 -0.632 . . . . 9.46 110.009 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -69.04 -23.64 64.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 14.76 110.939 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.298 -0.41 . . . . 26.29 111.556 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -96.63 -41.17 8.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.871 0.693 . . . . 30.06 112.871 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -89.63 -39.21 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.156 -0.34 . . . . 25.19 111.517 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.92 5.71 57.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.522 -0.847 . . . . 7.41 112.545 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.02 119.27 76.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.522 -0.177 . . . . 9.49 110.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 28.4 Cg_exo -62.66 131.45 33.51 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.442 2.094 . . . . 11.42 111.683 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 70.4 Cg_exo -52.77 -28.05 36.65 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.079 2.519 . . . . 12.0 113.256 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.8 -35.85 79.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.066 0.46 . . . . 35.55 110.777 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -95.03 8.05 44.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 20.52 110.471 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -101.25 112.05 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.699 -0.682 . . . . 7.13 111.052 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.423 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.2 ttp180 -123.75 96.73 5.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.733 -0.84 . . . . 36.39 108.733 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.491 ' HB3' HD12 ' B' ' 50' ' ' LEU . 42.4 mt -82.85 126.75 32.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 9.55 112.145 -178.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.25 128.53 75.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.471 -0.786 . . . . 13.9 109.391 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.514 ' HB3' HD21 ' B' ' 50' ' ' LEU . 52.9 t80 -146.82 140.86 26.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.192 -0.299 . . . . 6.86 110.192 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 24.41 11.41 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.018 -0.537 . . . . 11.15 111.527 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.63 26.64 66.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.896 -0.669 . . . . 13.93 112.671 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -138.92 152.75 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.706 0.288 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 123.47 29.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 23.23 109.636 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' B' ' 45' ' ' PHE . 26.8 mt -78.77 105.82 10.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.226 -0.443 . . . . 9.11 110.559 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -70.63 135.34 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.587 -0.279 . . . . 33.44 110.316 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.7 m-20 -51.11 -46.94 62.02 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.658 0.614 . . . . 28.37 112.658 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.3 -9.83 81.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.002 -0.618 . . . . 15.0 113.971 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -87.03 161.59 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.374 0.587 . . . . 25.5 110.901 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 36.5 p -100.5 164.35 11.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 11.95 110.841 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.102 0.477 . . . . 10.17 110.641 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.9 m -78.8 -5.11 52.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.885 -0.598 . . . . 13.59 111.258 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -88.24 -13.71 40.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.733 0.301 . . . . 11.7 111.195 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.21 18.88 9.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 12.95 111.194 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.36 44.52 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.825 -0.625 . . . . 25.45 110.606 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' B' ' 45' ' ' PHE . 52.5 mt -92.2 126.0 44.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 14.6 109.629 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -117.32 -169.6 1.69 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.177 -0.465 . . . . 33.23 110.677 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -73.33 157.92 36.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.286 -0.415 . . . . 25.97 110.188 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 65.8 8.59 5.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.97 -0.559 . . . . 32.61 112.369 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -75.62 145.53 41.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.288 -0.264 . . . . 10.56 110.288 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -106.98 97.79 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.164 0.507 . . . . 5.33 110.734 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.5 138.49 41.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.826 -0.625 . . . . 11.66 109.617 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -95.72 115.15 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.262 -0.273 . . . . 16.3 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.428 HD23 HG22 ' B' ' 7' ' ' THR . 27.0 tp -94.44 105.64 17.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.101 0.477 . . . . 9.96 110.792 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.67 HG13 HD11 ' B' ' 8' ' ' LEU . 11.3 t -86.0 88.04 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.708 -0.678 . . . . 9.76 109.775 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.17 134.52 46.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.596 . . . . 19.57 111.196 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -115.2 100.4 8.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.914 -0.585 . . . . 35.08 109.947 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.19 140.69 36.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 32.31 110.18 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -116.47 135.17 54.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.14 -0.482 . . . . 42.75 110.733 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.31 122.87 3.01 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.643 -0.789 . . . . 36.31 112.227 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.859 0 CA-C-O 118.673 -1.07 . . . . 36.27 111.593 -179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.273 0.558 . . . . 13.75 111.333 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.53 147.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.736 -0.666 . . . . 14.12 110.143 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.3 m -155.4 150.86 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.837 -0.431 . . . . 14.51 109.837 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 15.3 p90 -157.0 173.54 16.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.33 -0.248 . . . . 16.01 110.33 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.431 0 C-N-CA 120.687 -0.768 . . . . 16.67 111.798 -179.841 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 . . . . . 0 C--O 1.236 0.353 0 CA-C-O 121.241 0.543 . . . . 40.81 110.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.16 147.95 29.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.631 -0.713 . . . . 18.23 111.252 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.44 138.21 52.0 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.785 -0.82 . . . . 26.25 108.785 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.81 145.68 16.86 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.627 -0.797 . . . . 14.96 111.693 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 ttp -130.89 124.13 30.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 21.59 110.772 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.52 120.77 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 12.92 110.069 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -85.8 107.68 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.313 -0.625 . . . . 12.18 109.313 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.35 129.87 19.78 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.359 -0.837 . . . . 13.21 114.205 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.26 133.54 26.74 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.001 2.468 . . . . 14.44 112.442 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 35.5 Cg_exo -61.44 161.57 23.49 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.68 2.253 . . . . 17.43 112.377 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 71.24 10.08 6.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.495 0.718 . . . . 32.61 112.461 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -124.31 -177.5 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 17.94 109.702 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -77.18 -6.27 52.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.283 0.563 . . . . 18.91 110.215 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.522 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 31.0 m-85 -107.49 13.62 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.704 -0.68 . . . . 16.86 109.541 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -57.45 123.81 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.65 . . . . 37.17 112.349 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 59.58 29.67 19.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.535 -0.757 . . . . 30.81 111.547 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.412 ' HD3' ' OH ' ' A' ' 68' ' ' TYR . 25.3 mtt180 -109.35 110.41 21.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.866 0.365 . . . . 25.62 110.303 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -84.98 100.74 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.172 0.51 . . . . 19.36 110.064 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.451 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 54.5 m-85 -90.72 138.97 31.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 12.92 111.02 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -111.89 139.22 47.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.812 -0.631 . . . . 13.09 110.321 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.75 162.25 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.115 -0.493 . . . . 13.47 110.974 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -122.58 125.19 45.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.533 -0.758 . . . . 33.44 109.081 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.94 130.29 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.094 0.473 . . . . 19.18 111.371 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -122.56 109.01 13.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 42.22 109.792 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 m -86.23 117.74 25.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.951 -0.568 . . . . 25.59 110.271 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.39 -178.9 40.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.156 -0.545 . . . . 26.42 113.013 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.29 -19.33 50.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.097 2.532 . . . . 31.44 112.391 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.96 -0.5 57.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.171 -0.468 . . . . 44.64 111.619 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 38.3 t80 -67.09 141.26 96.32 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.68 -0.489 . . . . 29.6 109.68 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 65.3 Cg_endo -96.19 15.51 37.31 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 124.369 -1.096 . . . . 27.94 113.729 0.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.89 -35.88 81.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.96 0.41 . . . . 36.76 110.55 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.67 151.98 42.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.747 -0.66 . . . . 30.58 110.577 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' TRP . 13.7 Cg_exo -66.98 133.41 31.02 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 28.58 112.125 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.58 171.08 18.12 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.582 2.188 . . . . 20.75 112.01 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -90.56 117.23 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.179 -0.304 . . . . 29.16 110.179 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.421 HG21 HG11 ' A' ' 123' ' ' VAL . 23.5 t -120.53 134.19 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.409 -0.36 . . . . 20.48 110.807 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -149.08 151.28 34.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.437 -0.347 . . . . 41.41 110.551 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -88.11 145.3 26.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 16.6 110.446 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.52 -43.12 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.202 -0.666 . . . . 18.03 109.202 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.04 143.88 29.46 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.348 -0.842 . . . . 15.79 109.915 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 70.0 mttt -62.76 125.01 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.004 0.43 . . . . 35.04 111.329 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.451 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 13.0 tt -144.71 138.16 22.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.684 -0.689 . . . . 14.88 110.751 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -102.11 94.96 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.849 -0.797 . . . . 14.21 108.849 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.6 ttt -140.75 140.33 34.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.344 -0.844 . . . . 15.6 109.351 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.23 124.74 20.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 27.45 110.906 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.77 -10.78 52.88 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.966 -0.635 . . . . 23.3 112.147 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.43 127.26 57.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.227 -0.286 . . . . 22.53 110.227 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -66.75 141.72 57.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 26.32 109.932 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -84.52 -12.61 53.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.274 0.842 . . . . 22.69 113.274 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -106.91 -44.13 4.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.106 0.41 . . . . 31.16 112.106 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -99.48 -26.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.84 0.353 . . . . 30.09 111.514 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.83 5.26 88.14 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.474 -0.87 . . . . 25.64 111.769 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -66.75 135.4 53.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.696 0.284 . . . . 38.85 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.64 139.16 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.99 -0.55 . . . . 25.28 109.944 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.518 ' OD2' ' HG2' ' A' ' 106' ' ' ARG . 24.9 t70 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 34.12 110.923 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.02 25.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.987 0.736 . . . . 29.16 112.987 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HG2' ' OD2' ' A' ' 104' ' ' ASP . 26.9 ptt-85 -68.05 -9.04 42.85 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.504 0.557 . . . . 52.63 112.504 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.4 m -87.96 -32.76 18.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.757 0.313 . . . . 34.05 110.701 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.404 HG22 HG22 ' A' ' 110' ' ' VAL . 21.0 mm -99.59 121.63 54.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.285 -0.416 . . . . 26.63 110.267 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.49 -48.78 12.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.637 2.891 . . . . 26.05 114.297 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 108' ' ' ILE . 34.6 m -68.68 -23.99 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 112.681 0.623 . . . . 25.84 112.681 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.1 mt -87.65 -38.01 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 23.97 110.363 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -67.83 -47.87 67.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 28.65 109.961 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -108.62 58.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 39.1 109.349 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' PRO . 68.6 t-105 -68.42 145.34 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 29.08 111.593 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -134.38 149.38 50.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.187 -0.915 . . . . 45.36 108.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -65.63 -11.99 49.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.779 0.288 . . . . 37.64 111.779 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -7.47 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 26.71 110.904 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -83.55 176.15 9.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.874 0.368 . . . . 23.06 110.906 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -155.36 176.19 12.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 17.53 109.807 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.38 -31.44 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.087 -0.708 . . . . 14.03 109.087 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.449 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.3 ttpt -56.17 -51.71 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 24.78 110.617 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.67 -38.07 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 17.36 111.273 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.421 HG11 HG21 ' A' ' 85' ' ' VAL . 94.6 t -61.14 -51.89 67.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 14.42 111.167 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.77 -41.83 98.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 11.53 110.867 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.45 -40.2 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 16.85 110.726 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -65.59 -43.79 88.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 30.3 110.218 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 131' ' ' MET . 68.2 mt -59.49 -46.08 89.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 14.04 110.121 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -64.96 -34.37 78.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 10.15 110.191 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 27.05 109.828 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.1 mt -70.82 -21.15 62.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.729 -0.669 . . . . 17.72 111.119 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 59.0 mtt -72.43 -26.11 61.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.293 0.568 . . . . 18.11 109.996 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.47 -8.12 59.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.743 -0.662 . . . . 22.93 110.568 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 m -69.71 146.3 51.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 25.92 110.424 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 137' ' ' MET . 46.9 tptt -55.3 -36.21 65.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 29.78 112.583 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.27 0.841 . . . . 28.22 113.27 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -118.84 -36.91 3.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.332 0.493 . . . . 18.41 112.332 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 134' ' ' LYS . 14.1 ptm -57.82 -21.9 44.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.21 0.818 . . . . 20.97 113.21 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -111.19 25.74 11.42 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.967 -0.293 . . . . 35.29 111.689 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 33.6 mt -92.94 123.0 62.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.109 -0.33 . . . . 15.71 110.109 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.66 119.87 7.4 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.783 2.322 . . . . 19.11 111.732 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -95.83 140.58 22.37 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.139 -0.482 . . . . 20.51 111.405 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 168.55 23.17 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.803 2.336 . . . . 26.0 111.297 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.98 121.72 2.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 30.09 113.393 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.0 126.72 28.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 46.96 110.659 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.66 -21.13 9.21 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.763 -0.732 . . . . 36.35 112.051 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.29 133.95 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.025 0.44 . . . . 36.19 110.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.41 156.98 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.968 -0.56 . . . . 36.38 110.553 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 58.8 m-85 -75.52 -9.37 58.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 44.37 110.821 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.88 146.51 27.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.024 -0.732 . . . . 53.87 109.024 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.988 -1.006 . . . . 55.71 110.038 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.8 ptt? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.894 0.378 . . . . 17.17 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -96.08 124.52 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.879 -0.601 . . . . 21.89 110.316 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -118.97 155.79 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.585 -0.524 . . . . 10.83 109.585 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.658 0.266 . . . . 10.61 110.647 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.404 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 16.6 t -94.81 103.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.325 -0.62 . . . . 9.13 109.325 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -102.57 121.41 42.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.104 -0.498 . . . . 20.55 111.08 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.0 m -86.05 159.83 19.47 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.181 -0.674 . . . . 11.78 109.181 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.625 HD11 HG13 ' B' ' 70' ' ' VAL . 88.6 mt -60.2 -18.63 49.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.865 0.364 . . . . 19.31 111.346 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -25.4 63.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 23.14 110.741 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.03 -36.87 3.06 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.948 -0.644 . . . . 19.74 112.798 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.207 0.527 . . . . 21.93 111.8 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -119.63 117.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 12.33 109.701 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.404 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.6 pt -105.91 150.11 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.823 0.344 . . . . 17.08 110.74 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 130.65 44.34 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.965 -0.562 . . . . 16.3 110.129 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.37 127.49 49.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.56 -0.291 . . . . 15.88 110.665 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -97.58 94.54 7.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.887 -0.597 . . . . 28.9 109.67 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.8 m -133.91 169.55 21.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.431 -0.35 . . . . 12.05 111.075 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -109.93 153.41 43.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.444 -0.576 . . . . 18.17 109.444 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.2 Cg_exo -53.99 -30.49 59.39 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.906 2.404 . . . . 8.16 113.572 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -6.36 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.499 0.555 . . . . 11.13 112.499 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.34 145.43 33.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 18.03 110.487 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.16 151.36 22.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 10.22 110.976 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -60.15 -32.8 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 12.3 110.378 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 36.51 110.155 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.45 -37.25 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 25.66 109.546 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.69 -44.43 85.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.545 -0.752 . . . . 8.12 109.703 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.8 mttt -59.57 -42.91 93.54 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.84 -0.618 . . . . 15.47 110.751 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -37.29 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.757 -0.656 . . . . 11.45 111.066 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -68.16 -37.41 80.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.127 -0.488 . . . . 24.98 109.822 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.9 mt -68.57 -36.2 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.105 -0.702 . . . . 9.46 109.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.65 -30.84 71.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.533 -0.758 . . . . 14.76 110.714 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -75.55 -45.12 39.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 26.29 112.152 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -87.92 -36.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.12 0.785 . . . . 30.06 113.12 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -96.41 -38.73 9.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.977 0.362 . . . . 25.19 111.977 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.32 17.74 33.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.479 -0.867 . . . . 7.41 112.378 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.31 117.16 67.67 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.353 -0.24 . . . . 9.49 110.353 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.1 124.56 16.6 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.951 2.434 . . . . 11.42 112.513 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.2 Cg_exo -54.04 -29.58 55.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.727 2.952 . . . . 12.0 113.275 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.19 -34.28 71.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.845 -0.616 . . . . 35.55 111.992 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -101.56 20.18 16.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.899 0.38 . . . . 20.52 111.387 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -101.66 126.51 48.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.988 0.423 . . . . 7.13 110.663 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -134.83 108.91 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 36.39 109.358 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -86.97 135.59 33.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.151 0.501 . . . . 9.55 111.953 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -120.56 130.85 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.157 -0.929 . . . . 13.9 109.331 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD21 ' B' ' 50' ' ' LEU . 75.5 t80 -152.64 143.69 23.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.677 -0.238 . . . . 6.86 110.746 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.13 26.01 11.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.842 -0.617 . . . . 11.15 112.271 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 25.3 65.04 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.956 -0.64 . . . . 13.93 113.039 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -146.01 166.0 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.809 0.338 . . . . 0.0 110.659 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.75 139.89 30.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.558 . . . . 23.23 110.368 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' B' ' 45' ' ' PHE . 23.0 mt -97.27 159.54 14.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.347 -0.388 . . . . 9.11 110.103 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -99.32 -175.96 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.796 0.332 . . . . 33.44 111.015 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.26 -53.29 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 28.37 111.826 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.6 39.16 2.13 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.924 -0.58 . . . . 15.0 113.864 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' OH ' ' B' ' 59' ' ' TYR . 20.7 mmt180 -130.38 160.23 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.213 -0.662 . . . . 25.5 109.213 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 68.2 p -94.49 169.07 10.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.73 0.3 . . . . 11.95 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 22.9 mt -67.38 -28.7 68.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.603 -0.518 . . . . 10.17 109.603 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -21.6 62.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.725 -0.671 . . . . 13.59 110.749 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -64.38 -29.41 70.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.274 -0.421 . . . . 11.7 111.262 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' B' ' 54' ' ' ARG . 3.1 m-85 -109.39 7.92 25.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 12.95 110.293 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 60.21 45.92 10.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.837 -0.619 . . . . 25.45 110.822 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.9 mt -86.41 122.8 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.948 -0.39 . . . . 14.6 109.948 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -165.58 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.085 -0.507 . . . . 33.23 110.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -79.79 163.23 24.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.985 -0.552 . . . . 25.97 110.741 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 55.51 28.43 11.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 32.61 111.771 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -93.14 127.31 38.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.794 0.33 . . . . 10.56 110.356 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 13.0 m -87.21 91.35 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 5.33 110.924 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.66 153.81 34.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.709 -0.678 . . . . 11.66 109.278 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -110.07 119.49 39.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.01 0.433 . . . . 16.3 111.055 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -96.03 103.56 15.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.627 -0.715 . . . . 9.96 109.691 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 8' ' ' LEU . 57.3 t . . . . . 0 C--N 1.319 -0.73 0 CA-C-N 115.648 -0.706 . . . . 9.76 109.789 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.354 . . . . 13.75 111.608 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.42 143.44 14.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 14.12 112.243 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -149.18 147.15 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 14.51 109.486 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 41.9 p90 -153.52 171.23 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.661 0.267 . . . . 16.01 110.73 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.122 -0.791 . . . . 16.67 111.122 179.573 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 . . . . . 0 C--O 1.235 0.29 0 CA-C-O 120.875 0.369 . . . . 40.81 111.656 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -116.83 145.05 43.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 18.23 111.144 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -108.95 120.5 42.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.569 -0.741 . . . . 26.25 110.224 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.4 15.06 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.777 -0.929 . . . . 14.96 110.777 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.9 ttp -128.84 128.48 43.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.334 0.567 . . . . 21.59 110.658 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.14 120.23 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.836 -0.62 . . . . 12.92 110.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.89 117.67 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.663 -0.866 . . . . 12.18 108.663 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.704 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.42 126.4 15.68 Favored Glycine 0 N--CA 1.449 -0.445 0 O-C-N 123.683 0.614 . . . . 13.21 113.394 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.3 Cg_exo -56.99 136.0 74.13 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.141 2.561 . . . . 14.44 112.427 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 39.2 Cg_exo -58.19 159.58 18.47 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.757 2.304 . . . . 17.43 112.435 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 21.7 mmm180 73.88 -35.79 0.32 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.624 0.769 . . . . 32.61 112.466 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -74.04 177.15 5.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.163 -0.31 . . . . 17.94 110.163 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.71 -4.36 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.099 0.476 . . . . 18.91 110.491 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.704 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 54.3 m-85 -98.97 3.15 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 16.86 110.305 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -52.36 128.81 26.61 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.558 0.577 . . . . 37.17 112.558 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.5 t30 62.67 22.82 13.57 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.27 -0.877 . . . . 30.81 111.839 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 36.2 mtt180 -103.47 108.63 19.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.962 -0.461 . . . . 25.62 110.236 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.76 102.89 11.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.011 -0.541 . . . . 19.36 109.729 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.596 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 48.7 m-85 -95.58 139.38 31.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 12.92 111.778 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -107.16 137.96 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 13.09 109.79 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.15 154.82 47.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.407 -0.36 . . . . 13.47 111.122 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -115.56 125.78 53.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.21 -0.663 . . . . 33.44 109.21 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.26 124.21 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.353 -0.385 . . . . 19.18 110.512 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -115.42 103.84 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 42.22 110.3 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.6 m -83.98 110.68 18.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.765 -0.652 . . . . 25.59 110.331 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.53 -178.07 39.29 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.942 -0.647 . . . . 26.42 112.757 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.31 -14.59 28.33 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.915 2.41 . . . . 31.44 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -88.15 -1.27 57.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.462 . . . . 44.64 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -68.54 140.39 92.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 29.6 109.535 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -97.69 21.47 26.16 Favored 'Cis proline' 0 N--CA 1.459 -0.532 0 C-N-CA 124.381 -1.091 . . . . 27.94 113.426 0.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -69.67 -37.27 76.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 36.76 109.906 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 144.59 31.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.464 -0.789 . . . . 30.58 110.246 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.22 132.51 34.24 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.762 2.308 . . . . 28.58 112.663 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.45 160.88 43.69 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.768 2.312 . . . . 20.75 112.143 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.78 116.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 29.16 110.288 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.84 130.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.394 -0.366 . . . . 20.48 110.801 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -143.85 149.79 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.541 -0.3 . . . . 41.41 110.721 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.66 143.78 27.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.122 -0.49 . . . . 16.6 110.629 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.23 -50.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.187 0.517 . . . . 18.03 110.076 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 150.24 31.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.574 -0.739 . . . . 15.79 110.057 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 77.1 mttt -67.03 123.32 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.964 0.411 . . . . 35.04 111.172 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.596 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.0 tt -145.02 135.4 19.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.474 -0.784 . . . . 14.88 110.496 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -101.57 97.13 7.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 14.21 109.358 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.8 ttt -139.14 139.63 37.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.528 -0.76 . . . . 15.6 109.767 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -56.93 110.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.297 0.373 . . . . 27.45 111.622 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.04 -11.21 20.37 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 23.3 112.652 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.45 126.32 57.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.228 -0.286 . . . . 22.53 110.228 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -63.46 138.16 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 26.32 110.379 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -86.77 -3.47 59.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.711 0.634 . . . . 22.69 112.711 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 m -112.65 -53.95 2.66 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.191 -0.318 . . . . 31.16 111.574 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 p -89.59 -29.98 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 30.09 110.838 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.11 74.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.877 -0.678 . . . . 25.64 111.803 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -67.01 145.44 55.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.76 0.314 . . . . 38.85 110.637 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -98.3 126.5 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 25.28 110.326 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.45 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 23.3 t0 -74.04 121.76 21.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 34.12 110.445 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.599 -0.728 . . . . 29.16 112.635 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 25.2 ptt-85 -81.89 -1.61 48.37 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.448 -0.501 . . . . 52.63 111.584 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.4 m -99.93 -15.29 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 34.05 109.966 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 mm -111.11 119.69 45.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.791 -0.641 . . . . 26.63 109.856 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.95 -49.8 14.27 Favored 'Trans proline' 0 CA--C 1.534 0.507 0 C-N-CA 123.398 2.732 . . . . 26.05 114.271 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.47 -16.21 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.619 0.599 . . . . 25.84 112.619 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 mt -96.02 -40.62 9.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.711 0.291 . . . . 23.97 110.309 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.95 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.299 0.571 . . . . 28.65 109.709 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -111.33 57.43 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 39.1 108.932 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -61.54 143.23 56.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 29.08 111.465 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -129.05 147.24 50.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.733 -0.84 . . . . 45.36 108.733 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -66.55 -9.03 30.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.441 . . . . 37.64 111.385 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -6.6 59.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 26.71 111.131 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -89.82 171.66 9.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 23.06 110.583 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.5 p -148.92 178.9 8.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 17.53 109.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 120' ' ' ILE . 22.1 mt -59.52 -40.27 81.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.502 0.667 . . . . 14.03 109.948 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 25.8 ttpt -58.37 -42.45 87.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.886 -1.052 . . . . 24.78 110.953 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.08 -41.81 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 17.36 110.745 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 44.1 t -63.0 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 14.42 110.583 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.22 -43.13 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 11.53 110.739 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.55 -39.48 91.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 16.85 110.734 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 129' ' ' ARG . 10.0 tp10 -63.13 -44.61 95.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.041 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 95.7 mt -60.12 -44.2 95.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 14.04 110.406 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -66.12 -32.99 74.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.001 0.429 . . . . 10.15 110.276 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' A' ' 126' ' ' GLU . 69.1 ttp85 -68.15 -39.11 82.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.482 -0.562 . . . . 27.05 109.482 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.23 -19.98 60.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.427 -0.806 . . . . 17.72 110.952 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.5 mtt -71.38 -24.28 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.41 0.624 . . . . 18.11 109.677 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.7 mtm -90.52 3.44 53.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.764 . . . . 22.93 110.507 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.94 144.2 52.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.738 -0.467 . . . . 25.92 109.738 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -53.81 -39.14 65.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.162 0.431 . . . . 29.78 112.162 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -84.31 14.08 4.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.355 0.502 . . . . 28.22 112.355 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -135.06 -45.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 18.41 111.594 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.9 ptm -54.56 -22.71 14.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.765 1.024 . . . . 20.97 113.765 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.02 13.58 19.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.008 0.373 . . . . 35.29 112.008 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.19 129.4 82.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.886 -0.325 . . . . 15.71 110.528 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.83 117.84 4.59 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 19.11 111.174 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -89.54 152.38 47.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.199 -0.455 . . . . 20.51 111.579 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.86 166.62 23.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.917 2.411 . . . . 26.0 110.559 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -49.44 119.88 5.11 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.429 2.086 . . . . 30.09 112.277 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.78 134.62 57.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.974 -0.557 . . . . 46.96 110.677 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.03 -26.9 12.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.316 -0.714 . . . . 36.35 111.316 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -69.58 140.8 53.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 36.19 110.62 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 162.69 18.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.201 -0.454 . . . . 36.38 109.907 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 43.6 m-85 -80.66 -13.46 59.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.371 0.605 . . . . 44.37 110.23 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.793 . . . . 53.87 109.754 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.194 -0.907 . . . . 55.71 110.716 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.18 -0.304 . . . . 17.17 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -98.69 128.63 45.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.294 0.569 . . . . 21.89 111.18 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -124.21 165.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.794 -0.639 . . . . 10.83 109.479 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.6 m-85 -117.38 118.07 31.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.779 0.323 . . . . 10.61 110.967 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.424 ' HB ' HG13 ' B' ' 13' ' ' ILE . 12.1 t -99.42 108.13 21.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.731 -0.84 . . . . 9.13 108.731 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -110.94 129.58 55.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 20.55 111.304 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -84.2 167.47 16.65 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.442 -0.577 . . . . 11.78 109.442 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.682 HD11 HG13 ' B' ' 70' ' ' VAL . 20.5 mt -66.44 -26.84 67.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.101 0.477 . . . . 19.31 110.239 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -32.08 68.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.515 -0.766 . . . . 23.14 110.949 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.65 -21.67 4.72 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.416 -0.897 . . . . 19.74 113.309 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -60.03 122.26 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.006 0.431 . . . . 21.93 110.765 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -116.37 129.28 56.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.815 -0.629 . . . . 12.33 110.427 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.424 HG13 ' HB ' ' B' ' 5' ' ' VAL . 31.8 pt -124.04 142.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 17.08 110.603 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.38 140.78 29.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.267 -0.424 . . . . 16.3 110.344 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -136.41 137.56 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.37 . . . . 15.88 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.11 97.95 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.989 -0.55 . . . . 28.9 109.565 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.23 171.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.505 . . . . 12.05 111.079 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -106.03 151.51 40.1 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 18.17 109.685 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.96 -19.77 64.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.444 2.096 . . . . 8.16 112.274 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -93.16 5.51 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 11.13 111.391 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.2 148.21 30.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 18.03 110.108 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -84.72 153.89 22.79 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.877 -0.601 . . . . 10.22 110.775 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.68 -34.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 12.3 110.004 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -62.43 -40.25 95.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.549 . . . . 36.51 110.354 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -66.34 -42.48 88.04 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.554 -0.536 . . . . 25.66 109.554 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.98 -45.12 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 8.12 110.152 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.97 -40.9 97.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.633 -0.712 . . . . 15.47 110.703 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.89 86.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.053 -0.521 . . . . 11.45 110.791 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.74 -39.26 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.171 -0.468 . . . . 24.98 109.918 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.03 -38.37 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 9.46 109.845 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -68.62 -19.04 64.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 14.76 110.72 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -81.18 -41.62 22.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.471 -0.331 . . . . 26.29 111.53 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -95.06 -32.1 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.464 0.542 . . . . 30.06 112.464 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -100.76 -39.48 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.588 0.232 . . . . 25.19 111.572 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 18.98 44.05 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.631 -0.795 . . . . 7.41 112.754 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.53 117.99 68.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.68 -0.306 . . . . 9.49 110.335 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.78 124.17 15.56 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.763 2.309 . . . . 11.42 112.314 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -49.04 -30.9 19.3 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.812 3.008 . . . . 12.0 113.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.0 -40.93 77.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 35.55 112.244 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -92.59 2.62 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 20.52 111.608 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -83.61 97.69 9.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.818 0.342 . . . . 7.13 111.148 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.521 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 10.3 tpp180 -96.83 96.32 8.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.58 -0.896 . . . . 36.39 108.58 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' B' ' 50' ' ' LEU . 29.1 mt -89.07 127.5 35.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 9.55 112.205 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 mm -119.17 136.97 54.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 115.264 -0.88 . . . . 13.9 109.614 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.597 ' CE2' HG12 ' B' ' 61' ' ' ILE . 88.5 t80 -152.59 137.38 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.613 0.244 . . . . 6.86 110.892 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 30.26 13.88 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.907 -0.588 . . . . 11.15 112.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.74 22.62 78.05 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.95 -0.643 . . . . 13.93 112.799 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -136.61 151.77 49.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.585 0.231 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.91 131.46 34.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.107 -0.497 . . . . 23.23 109.713 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' B' ' 45' ' ' PHE . 39.7 mt -84.35 122.45 28.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.718 0.294 . . . . 9.11 111.756 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.521 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 21.6 tt0 -78.33 138.41 38.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 33.44 109.724 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.3 -30.27 70.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.588 0.588 . . . . 28.37 112.588 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . 0.521 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -93.06 13.18 68.29 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 15.0 113.325 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.436 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.2 mmp_? -103.96 168.99 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.085 0.443 . . . . 25.5 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.9 p -110.68 165.73 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.619 . . . . 11.95 110.115 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 mt -63.85 -33.26 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 10.17 111.669 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -24.49 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.683 -0.235 . . . . 13.59 111.6 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 58.5 m-20 -63.49 -32.22 73.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.106 0.479 . . . . 11.7 111.014 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -105.74 9.12 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 12.95 111.333 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.09 48.3 10.82 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.37 0.605 . . . . 25.45 110.784 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.597 HG12 ' CE2' ' B' ' 45' ' ' PHE . 49.3 mt -85.82 119.4 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.016 -0.538 . . . . 14.6 110.113 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -97.82 -176.09 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 33.23 110.753 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -76.97 159.6 29.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.97 109.998 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.24 12.18 6.93 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.571 0.545 . . . . 32.61 111.974 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -76.77 150.18 36.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 10.56 109.676 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -113.83 103.85 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.328 0.585 . . . . 5.33 111.092 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.46 156.37 35.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.403 -0.817 . . . . 11.66 110.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -112.62 110.77 21.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.875 -0.417 . . . . 16.3 109.875 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -92.14 104.78 17.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 9.96 110.575 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.682 HG13 HD11 ' B' ' 8' ' ' LEU . 40.7 t . . . . . 0 C--N 1.323 -0.571 0 CA-C-N 115.417 -0.811 . . . . 9.76 109.457 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.42 HG22 HD22 ' B' ' 8' ' ' LEU . 39.9 p . . . . . 0 C--O 1.234 0.281 0 CA-C-O 121.058 0.456 . . . . 13.75 110.7 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 m -61.54 131.37 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.601 . . . . 14.12 111.012 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -139.13 138.54 37.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.923 -0.581 . . . . 14.51 110.36 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -138.67 160.3 39.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.925 -0.58 . . . . 16.01 110.224 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.565 0 C-N-CA 121.022 -0.609 . . . . 16.67 111.992 179.77 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 110.081 -0.34 . . . . 40.81 110.081 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -124.93 140.11 53.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 18.23 111.538 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.6 m -92.39 116.58 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.499 -0.773 . . . . 26.25 110.519 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.45 144.91 18.6 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.481 -0.866 . . . . 14.96 111.709 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ttp -138.06 128.1 25.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.11 -0.33 . . . . 21.59 110.11 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.62 130.33 69.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.11 0.481 . . . . 12.92 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -84.97 118.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.628 -0.714 . . . . 12.18 109.15 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.34 117.32 3.71 Favored Glycine 0 N--CA 1.452 -0.254 0 O-C-N 123.622 0.576 . . . . 13.21 113.226 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.2 Cg_exo -57.92 126.77 22.7 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.195 2.597 . . . . 14.44 112.583 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 29.6 Cg_exo -63.03 156.59 53.8 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.312 2.008 . . . . 17.43 112.203 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 68.19 21.31 8.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.772 -0.649 . . . . 32.61 111.918 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.2 p -133.59 178.9 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.758 -0.46 . . . . 17.94 109.758 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -79.12 -2.61 41.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 18.91 110.851 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 60.7 m-85 -105.96 6.24 31.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.36 0.6 . . . . 16.86 109.739 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.56 138.75 57.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.257 -0.883 . . . . 37.17 113.275 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 t30 62.66 19.59 11.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.809 -1.087 . . . . 30.81 112.754 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -105.87 144.36 32.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.991 0.424 . . . . 25.62 110.662 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.0 mt -107.72 106.28 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.521 -0.548 . . . . 19.36 109.521 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.0 m-85 -94.92 132.15 40.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 12.92 111.818 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.13 129.04 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.401 -0.818 . . . . 13.09 109.933 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -121.94 147.27 46.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.018 0.437 . . . . 13.47 111.364 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -124.62 105.87 9.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.886 -0.783 . . . . 33.44 108.886 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.96 130.89 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 19.18 111.046 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.02 117.62 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.135 -0.484 . . . . 42.22 110.287 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.0 m -104.5 99.75 9.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 25.59 109.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.33 -168.94 15.19 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.171 -0.538 . . . . 26.42 113.625 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.66 -12.27 30.93 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.418 2.746 . . . . 31.44 112.885 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -91.14 -8.56 48.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.62 0.248 . . . . 44.64 110.857 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -73.75 140.69 78.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 29.6 109.576 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.435 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 16.2 Cg_endo -96.86 18.33 31.91 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 124.7 -0.958 . . . . 27.94 113.202 -0.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.74 -35.1 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.154 0.502 . . . . 36.76 110.335 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.49 156.92 46.93 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.686 -0.688 . . . . 30.58 109.707 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -65.85 130.23 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.613 2.209 . . . . 28.58 112.537 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.07 169.52 21.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.59 2.193 . . . . 20.75 111.758 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -88.2 114.54 24.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.683 0.278 . . . . 29.16 110.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.17 132.39 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 20.48 110.947 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -150.77 150.87 31.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 41.41 110.356 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -96.29 146.01 25.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 16.6 110.505 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.0 t -95.79 -37.99 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.284 0.564 . . . . 18.03 109.522 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.88 144.07 26.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.52 -0.764 . . . . 15.79 109.843 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 80.1 mttt -65.04 119.69 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 35.04 110.943 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.504 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.8 tt -134.53 130.89 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.706 -0.679 . . . . 14.88 110.653 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -100.28 84.96 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.104 -0.702 . . . . 14.21 109.104 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.8 ttt -133.8 141.99 47.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.214 -0.903 . . . . 15.6 109.761 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.42 113.71 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 27.45 111.397 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.9 -25.6 6.75 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 23.3 112.199 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.42 HG13 HG22 ' A' ' 103' ' ' VAL . 3.6 mp -96.74 129.33 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.437 . . . . 22.53 110.653 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -66.4 138.29 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.677 -0.692 . . . . 26.32 109.867 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -81.52 -14.26 57.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.879 0.696 . . . . 22.69 112.879 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 m -100.15 -55.83 2.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.814 -0.354 . . . . 31.16 111.952 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -86.93 -37.0 18.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.777 0.322 . . . . 30.09 111.576 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.13 10.42 57.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.596 -0.811 . . . . 25.64 112.088 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mtp -76.87 149.29 36.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.304 -0.258 . . . . 38.85 110.304 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 96' ' ' ILE . 3.6 t -99.58 129.41 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.387 -0.369 . . . . 25.28 111.182 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.39 116.15 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 34.12 110.045 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.78 75.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 29.16 112.207 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 106' ' ' ARG . 14.4 mtm180 -67.55 -26.7 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 52.63 111.705 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -82.75 -18.5 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.74 0.305 . . . . 34.05 111.401 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 111' ' ' LEU . 33.6 mm -101.26 120.79 53.98 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.247 -0.279 . . . . 26.63 110.247 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -50.17 -51.58 10.66 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.377 2.718 . . . . 26.05 114.148 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.6 m -69.28 -16.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.768 0.655 . . . . 25.84 112.768 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 62.7 mt -93.87 -41.67 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.397 . . . . 23.97 110.145 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.66 80.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.306 0.574 . . . . 28.65 109.658 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -109.32 44.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.891 -0.781 . . . . 39.1 108.891 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -60.65 140.4 57.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.05 -0.977 . . . . 29.08 112.429 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -130.66 146.14 52.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.527 -1.215 . . . . 45.36 108.018 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 15.5 p-10 -68.83 -1.65 7.68 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.077 0.399 . . . . 37.64 112.077 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -4.93 57.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.142 0.496 . . . . 26.71 110.082 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -93.08 167.32 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 23.06 110.606 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p -150.41 -176.15 5.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.847 -0.615 . . . . 17.53 110.222 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 9.0 mt -57.75 -40.37 75.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.216 -0.447 . . . . 14.03 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 38.2 ttpt -55.75 -46.94 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.655 . . . . 24.78 110.946 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.64 -42.9 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 17.36 111.04 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.2 t -59.91 -48.57 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 14.42 110.961 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.38 -41.96 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 11.53 111.031 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 21.7 mt-30 -66.04 -42.81 89.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 16.85 111.137 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.27 -43.77 90.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 30.3 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.53 -43.69 89.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 14.04 110.772 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -66.3 -33.72 76.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.437 -0.347 . . . . 10.15 110.772 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.51 -41.15 96.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.67 -0.493 . . . . 27.05 109.67 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.79 -18.22 62.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.746 . . . . 17.72 110.923 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.5 mtt -75.89 -22.25 56.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.262 0.553 . . . . 18.11 109.605 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.9 mtm -95.74 6.29 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.68 -0.691 . . . . 22.93 110.054 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.5 m -74.73 142.93 44.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.853 -0.612 . . . . 25.92 109.448 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -49.66 -39.1 35.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.981 0.734 . . . . 29.78 112.981 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -73.16 -17.79 61.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.347 0.869 . . . . 28.22 113.347 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -112.97 -37.48 4.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.596 0.591 . . . . 18.41 112.596 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 24.8 ptm -54.76 -20.7 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.695 0.998 . . . . 20.97 113.695 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -117.3 18.93 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.127 0.417 . . . . 35.29 112.127 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 20.9 mt -79.53 136.02 56.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 120.994 -0.282 . . . . 15.71 110.379 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 24.3 Cg_exo -63.16 109.51 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.547 2.164 . . . . 19.11 111.667 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -85.53 147.98 48.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 20.51 111.0 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.07 167.41 27.04 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.587 2.191 . . . . 26.0 111.031 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -44.82 128.42 8.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.161 2.574 . . . . 30.09 112.879 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.05 130.42 46.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.537 -0.756 . . . . 46.96 111.276 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.46 11.77 46.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.511 -0.852 . . . . 36.35 113.35 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -93.48 132.87 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.277 0.539 . . . . 36.19 110.268 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.4 p -109.98 160.0 16.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.811 0.338 . . . . 36.38 111.221 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.462 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 25.9 m-85 -83.39 -5.97 59.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 44.37 110.591 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -147.99 151.08 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.042 -0.526 . . . . 53.87 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.257 -0.877 . . . . 55.71 110.863 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.215 -0.291 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -92.18 126.74 37.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 21.89 111.493 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -124.94 171.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.098 -0.704 . . . . 10.83 109.098 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.8 m-85 -127.58 137.17 52.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.036 0.446 . . . . 10.61 110.862 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.06 115.68 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.078 -0.712 . . . . 9.13 109.078 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -112.27 128.14 56.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.508 -0.314 . . . . 20.55 110.928 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -88.29 -177.68 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 11.78 110.654 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.689 HD11 HG13 ' B' ' 70' ' ' VAL . 22.5 mt -79.28 -6.24 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 19.31 111.223 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -5.89 44.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 23.14 110.273 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.71 -14.09 62.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 19.74 112.239 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -60.4 120.68 10.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 21.93 110.146 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -117.25 120.21 37.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.483 . . . . 12.33 110.58 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 pt -112.95 145.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 17.08 110.721 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -91.15 135.41 33.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.031 -0.531 . . . . 16.3 109.997 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' B' ' 29' ' ' LYS . 20.8 tp -137.1 144.88 43.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.168 -0.308 . . . . 15.88 110.168 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -114.81 117.73 31.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.186 0.517 . . . . 28.9 110.49 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.0 m -143.21 171.13 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.574 -0.739 . . . . 12.05 109.948 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 54.7 mm-40 -106.77 153.47 40.73 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.068 -0.345 . . . . 18.17 110.068 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.51 76.18 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.715 2.276 . . . . 8.16 113.2 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -82.21 -2.36 52.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 11.13 111.845 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.3 m-20 -70.89 143.7 50.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 18.03 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.4 p -83.28 150.91 25.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.547 -0.751 . . . . 10.22 110.205 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.96 -32.21 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.431 0.634 . . . . 12.3 109.591 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.74 -43.36 96.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.504 -0.771 . . . . 36.51 110.401 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.09 -35.84 82.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.048 0.452 . . . . 25.66 110.008 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.24 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.848 -0.615 . . . . 8.12 109.631 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.54 -39.93 89.69 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.968 -0.56 . . . . 15.47 110.391 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.64 98.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.727 -0.669 . . . . 11.45 110.805 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.438 ' HB3' HD11 ' B' ' 15' ' ' LEU . 63.8 mttt -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.836 -0.431 . . . . 24.98 109.836 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.19 -41.96 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 9.46 110.054 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -70.44 -28.53 65.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 14.76 110.384 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.72 -46.92 62.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 26.29 111.724 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -88.79 -36.31 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.983 0.734 . . . . 30.06 112.983 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -94.25 -58.47 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.766 0.317 . . . . 25.19 110.945 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.08 13.38 6.5 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.457 -0.878 . . . . 7.41 113.077 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -88.2 117.15 68.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 122.685 -0.303 . . . . 9.49 110.463 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 40.7 Cg_exo -58.56 132.96 51.39 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.648 2.232 . . . . 11.42 112.157 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.3 Cg_exo -55.72 -26.02 54.18 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.295 2.663 . . . . 12.0 113.217 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.43 -39.1 72.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.474 . . . . 35.55 111.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -101.74 14.09 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.342 . . . . 20.52 111.077 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.59 96.58 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 7.13 111.101 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.61 ' HE ' HD11 ' B' ' 44' ' ' ILE . 38.4 ttt180 -100.69 94.76 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.82 -0.807 . . . . 36.39 108.82 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.563 ' HB3' HD12 ' B' ' 50' ' ' LEU . 34.1 mt -77.86 121.94 24.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.204 0.526 . . . . 9.55 111.03 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.61 HD11 ' HE ' ' B' ' 42' ' ' ARG . 26.6 mm -117.49 126.61 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.333 -0.848 . . . . 13.9 109.774 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.477 ' HB3' HD21 ' B' ' 50' ' ' LEU . 90.4 t80 -158.43 151.15 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.599 -0.273 . . . . 6.86 110.647 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 23.45 13.67 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.968 -0.56 . . . . 11.15 112.041 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.46 16.57 80.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.913 -0.66 . . . . 13.93 112.679 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -140.67 177.67 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.894 0.378 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.476 ' HA ' HD13 ' B' ' 44' ' ' ILE . 4.6 tt0 -96.87 135.06 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 23.23 110.198 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' B' ' 43' ' ' LEU . 20.7 mt -89.22 122.43 32.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.208 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.434 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 0.9 OUTLIER -84.37 150.54 25.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.991 -0.549 . . . . 33.44 110.538 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.21 -43.8 90.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.213 0.82 . . . . 28.37 113.213 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 35.43 2.66 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.999 -0.619 . . . . 15.0 114.076 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.434 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 17.4 mmt180 -127.91 167.35 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.426 -0.455 . . . . 25.5 110.029 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 p -108.05 170.86 7.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.432 -0.349 . . . . 11.95 110.639 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 93.8 mt -64.98 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.981 0.42 . . . . 10.17 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -13.26 61.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 13.59 111.405 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -78.35 -18.47 55.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.697 0.284 . . . . 11.7 110.958 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.24 16.2 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 12.95 111.173 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 58.88 34.94 23.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.397 0.618 . . . . 25.45 111.271 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.7 mt -83.11 107.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.408 -0.589 . . . . 14.6 109.408 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -109.8 -166.75 1.12 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.923 -0.58 . . . . 33.23 110.289 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -68.59 154.56 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.51 -0.314 . . . . 25.97 110.635 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 69.24 -2.3 1.88 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.862 -0.608 . . . . 32.61 112.629 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -72.63 139.02 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.949 -0.389 . . . . 10.56 109.949 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 25.7 m -113.54 109.34 18.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.254 0.549 . . . . 5.33 110.563 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.77 149.6 26.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 11.66 110.498 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -95.65 104.78 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.572 -0.529 . . . . 16.3 109.572 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.59 102.19 13.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 9.96 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.689 HG13 HD11 ' B' ' 8' ' ' LEU . 21.3 t . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.771 -0.65 . . . . 9.76 110.763 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 56' ' ' ILE . 37.1 p . . . . . 0 C--O 1.234 0.258 0 CA-C-O 121.211 0.529 . . . . 13.75 111.481 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 m -120.85 129.04 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.813 -0.63 . . . . 14.12 110.128 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.9 m -142.36 140.43 32.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 14.51 110.408 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -144.62 179.27 7.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.431 -0.349 . . . . 16.01 110.7 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 111.624 -0.59 . . . . 16.67 111.624 179.524 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 . . . . . 0 C--O 1.233 0.222 0 CA-C-O 120.763 0.316 . . . . 40.81 110.624 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -122.69 151.82 41.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.996 -0.547 . . . . 18.23 111.007 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -112.5 141.48 46.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.307 -0.627 . . . . 26.25 109.307 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.68 145.53 17.57 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.753 -0.736 . . . . 14.96 111.489 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . 0.43 ' SD ' HG23 ' A' ' 67' ' ' ILE . 2.7 ttp -135.2 124.96 25.36 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.832 -0.433 . . . . 21.59 109.832 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.97 126.66 68.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.121 -0.49 . . . . 12.92 110.408 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.506 HD13 HG21 ' B' ' 70' ' ' VAL . 0.5 OUTLIER -89.39 107.47 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.834 -0.802 . . . . 12.18 108.834 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -49.98 137.17 23.55 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.811 -0.631 . . . . 13.21 114.415 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 56.9 Cg_endo -71.43 140.72 37.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.229 2.62 . . . . 14.44 112.543 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 16.6 Cg_exo -67.74 166.79 23.06 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.536 2.157 . . . . 17.43 112.198 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 71.12 14.64 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.797 -0.638 . . . . 32.61 111.189 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -134.4 -178.65 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.127 -0.694 . . . . 17.94 109.127 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -77.61 -5.81 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.084 0.469 . . . . 18.91 110.32 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.541 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 11.8 m-85 -104.18 13.26 32.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 16.86 109.679 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.6 109.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.674 0.62 . . . . 37.17 112.674 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 57.2 29.32 16.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.482 -0.781 . . . . 30.81 111.176 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.4 123.85 35.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.648 -0.501 . . . . 25.62 109.648 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.43 HG23 ' SD ' ' A' ' 54' ' ' MET . 78.9 mt -84.97 112.68 22.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.379 -0.373 . . . . 19.36 111.039 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 42.4 m-85 -108.15 121.35 44.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.075 -0.343 . . . . 12.92 110.075 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -94.6 131.89 39.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 13.09 110.66 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -125.88 155.7 40.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 13.47 110.653 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.63 121.42 27.0 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.551 -0.907 . . . . 33.44 108.551 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.5 t -113.28 128.72 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.032 0.444 . . . . 19.18 111.353 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.55 105.28 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 42.22 109.457 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 55.7 m -88.56 100.93 13.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 25.59 110.291 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 -178.38 17.53 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.916 -0.583 . . . . 26.42 113.497 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.63 -6.64 18.3 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.214 2.61 . . . . 31.44 112.558 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -93.06 -6.69 47.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.613 -0.267 . . . . 44.64 110.87 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.4 t80 -67.29 139.78 94.99 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 109.566 -0.531 . . . . 29.6 109.566 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.52 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 65.3 Cg_endo -99.26 21.16 23.2 Favored 'Cis proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.192 0.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -70.88 -41.5 71.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.845 0.355 . . . . 36.76 111.128 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.75 154.42 43.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.016 -0.538 . . . . 30.58 110.255 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.98 129.21 18.0 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.572 2.182 . . . . 28.58 112.293 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.02 171.73 17.35 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.552 2.168 . . . . 20.75 111.732 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.17 114.87 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.706 0.289 . . . . 29.16 110.439 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.98 129.42 69.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 20.48 110.645 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -146.35 159.2 43.69 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.758 0.313 . . . . 41.41 110.732 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -102.16 143.46 31.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 16.6 110.857 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.79 -43.97 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.549 -0.537 . . . . 18.03 109.549 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.2 143.47 28.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.672 -0.694 . . . . 15.79 109.779 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 71.8 mttt -65.61 125.55 25.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 35.04 111.407 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.9 tt -141.37 130.53 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 14.88 110.339 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.98 84.82 3.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.985 0.421 . . . . 14.21 110.014 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . 0.572 ' HB3' HD12 ' A' ' 96' ' ' ILE . 3.9 ttp -126.63 146.04 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 15.6 110.001 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.19 113.36 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 27.45 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.71 -9.41 14.52 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.716 -0.754 . . . . 23.3 112.673 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.572 HD12 ' HB3' ' A' ' 93' ' ' MET . 33.8 mt -111.04 135.39 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.913 0.387 . . . . 22.53 111.131 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.29 132.96 41.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 26.32 109.327 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -83.55 -0.63 51.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.215 0.82 . . . . 22.69 113.215 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m -102.23 -59.27 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.972 -0.455 . . . . 31.16 111.53 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.91 -26.12 17.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.891 0.33 . . . . 30.09 111.891 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.99 21.53 35.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.494 -0.86 . . . . 25.64 112.009 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.5 mtp -82.3 139.38 34.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.787 0.327 . . . . 38.85 110.613 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.0 t -100.28 129.01 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 25.28 110.601 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.586 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 34.3 t0 -70.53 119.58 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 34.12 110.629 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.41 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 29.16 112.652 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.586 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 14.3 ptt-85 -74.18 -4.08 33.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 52.63 111.694 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 m -96.45 -12.46 24.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.183 0.516 . . . . 34.05 110.209 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.41 HG22 HG22 ' A' ' 110' ' ' VAL . 22.2 mm -111.39 118.92 46.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.586 -0.524 . . . . 26.63 109.586 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.76 -44.81 25.76 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.347 2.698 . . . . 26.05 114.438 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 108' ' ' ILE . 28.0 m -71.26 -25.27 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.428 0.529 . . . . 25.84 112.428 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.84 -38.72 14.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.838 0.351 . . . . 23.97 110.642 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.09 89.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.111 0.482 . . . . 28.65 110.265 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 57.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.799 -0.815 . . . . 39.1 108.799 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -66.09 139.66 58.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.487 -0.779 . . . . 29.08 112.261 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -128.32 148.8 50.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.774 -1.103 . . . . 45.36 108.513 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 30.0 p30 -67.42 -13.16 61.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.102 0.477 . . . . 37.64 110.79 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 0.26 35.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.956 -0.565 . . . . 26.71 110.406 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -91.09 -177.34 4.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.084 -0.507 . . . . 23.06 110.074 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 p -166.8 -179.17 4.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.914 -0.584 . . . . 17.53 109.749 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.7 mt -64.89 -34.6 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 14.03 109.742 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -59.9 -42.17 93.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.357 -0.838 . . . . 24.78 109.445 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.63 -39.69 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 17.36 110.832 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.18 -49.55 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 14.42 111.027 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.95 -41.28 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 11.53 111.186 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.32 -40.7 96.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.913 0.387 . . . . 16.85 110.62 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 30.3 110.727 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.18 -44.73 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 14.04 111.326 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -63.71 -34.08 77.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.721 0.296 . . . . 10.15 110.835 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -68.49 -38.23 80.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 27.05 109.849 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.22 -23.02 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.467 -0.788 . . . . 17.72 110.871 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.6 mtt -75.4 -18.76 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.263 0.554 . . . . 18.11 109.779 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.78 -0.55 55.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 22.93 110.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -65.72 147.06 54.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 25.92 110.491 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -54.47 -37.34 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 29.78 111.55 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -87.26 14.39 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.762 0.652 . . . . 28.22 112.762 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -137.12 -37.34 0.65 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.396 0.517 . . . . 18.41 112.396 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.3 ptm -61.23 -21.34 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.656 0.984 . . . . 20.97 113.656 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -121.39 30.65 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.353 0.501 . . . . 35.29 112.353 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 39.8 mt -89.32 141.97 29.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.836 -0.431 . . . . 15.71 109.836 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 35.7 Cg_exo -60.64 123.74 13.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.577 2.185 . . . . 19.11 111.103 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.9 143.87 27.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.808 0.337 . . . . 20.51 111.646 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.18 157.76 60.42 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 122.475 2.116 . . . . 26.0 111.601 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.55 130.16 21.4 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.132 2.555 . . . . 30.09 112.591 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.65 133.6 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 46.96 110.9 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.88 -12.11 32.16 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.598 -0.81 . . . . 36.35 112.229 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.34 123.79 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.989 0.424 . . . . 36.19 110.769 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.22 147.38 36.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.936 -0.575 . . . . 36.38 110.42 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 55.2 m-85 -66.27 -38.26 87.4 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.38 -0.6 . . . . 44.37 109.38 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -113.96 127.69 56.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.436 -0.802 . . . . 53.87 109.573 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.001 -0.999 . . . . 55.71 110.59 -179.283 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.069 -0.345 . . . . 17.17 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -97.13 119.92 36.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 21.89 111.036 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -110.6 168.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.519 -0.548 . . . . 10.83 109.519 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' B' ' 66' ' ' THR . 60.9 m-85 -118.19 138.54 52.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.726 0.298 . . . . 10.61 110.267 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.4 t -123.64 112.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.486 -0.561 . . . . 9.13 109.486 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -107.59 120.45 42.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.928 0.394 . . . . 20.55 111.227 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 0.7 OUTLIER -85.88 159.25 19.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.811 -0.631 . . . . 11.78 109.318 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.515 HD11 HG13 ' B' ' 70' ' ' VAL . 9.8 mt -59.03 -19.68 46.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.949 0.404 . . . . 19.31 111.468 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -21.71 62.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.464 . . . . 23.14 111.039 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.84 -4.73 30.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 19.74 112.518 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -79.63 123.98 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.863 0.363 . . . . 21.93 110.697 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -113.99 107.93 16.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.166 -0.47 . . . . 12.33 109.923 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -101.41 166.19 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.997 -0.547 . . . . 17.08 111.213 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 148.41 32.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.979 -0.555 . . . . 16.3 109.825 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -142.13 128.85 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.834 0.349 . . . . 15.88 111.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -94.55 103.91 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 28.9 109.749 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.34 168.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 12.05 111.365 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 82.0 mm-40 -112.17 153.12 44.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 18.17 109.808 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.98 -18.83 52.45 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.92 2.413 . . . . 8.16 113.115 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -1.15 57.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.147 -0.479 . . . . 11.13 111.526 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -82.23 154.97 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 18.03 111.437 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 46.0 p -91.67 154.46 18.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.22 110.565 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.51 -30.08 48.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.213 0.53 . . . . 12.3 110.098 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.36 -47.38 86.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.527 -0.76 . . . . 36.51 110.527 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -66.36 -31.95 73.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 25.66 110.16 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.01 -46.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 8.12 109.744 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.24 -34.4 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.617 -0.72 . . . . 15.47 110.666 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.92 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 11.45 110.747 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.97 -40.27 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 24.98 110.057 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.64 -38.03 81.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.55 . . . . 9.46 109.791 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -66.52 -33.88 76.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 14.76 110.636 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.08 -41.2 74.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 26.29 112.281 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -92.55 -47.67 7.01 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.13 0.789 . . . . 30.06 113.13 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -86.57 -24.22 25.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.312 0.486 . . . . 25.19 112.312 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.88 11.35 79.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.523 -0.846 . . . . 7.41 112.403 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.2 mt -86.07 119.25 71.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.36 -0.237 . . . . 9.49 110.36 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 28.6 Cg_exo -61.78 133.67 46.26 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.479 2.119 . . . . 11.42 112.205 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.5 Cg_exo -57.63 -24.04 60.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.101 2.534 . . . . 12.0 112.597 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.92 -22.33 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.596 . . . . 35.55 110.866 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -109.61 15.43 22.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 20.52 110.501 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -104.93 120.2 40.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 7.13 111.796 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 1.4 tpp180 -118.72 106.35 12.48 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.417 -0.957 . . . . 36.39 108.417 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.5 mt -92.76 113.22 25.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 9.55 111.49 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.95 127.34 66.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.558 -0.747 . . . . 13.9 109.865 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' B' ' 50' ' ' LEU . 55.4 t80 -156.9 149.45 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.856 -0.156 . . . . 6.86 110.869 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.64 29.35 13.47 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.812 0.695 . . . . 11.15 111.884 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.91 32.91 78.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.035 -0.602 . . . . 13.93 112.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -150.21 177.6 9.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.951 0.405 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.51 128.65 54.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.758 -0.656 . . . . 23.23 109.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' B' ' 43' ' ' LEU . 21.1 mt -82.6 111.74 18.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.515 -0.311 . . . . 9.11 110.331 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.469 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 24.1 tt0 -73.41 134.05 43.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.478 -0.328 . . . . 33.44 110.35 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.48 -41.8 69.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 28.37 111.942 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 -7.09 82.28 Favored Glycine 0 CA--C 1.52 0.392 0 CA-C-N 116.012 -0.54 . . . . 15.0 114.228 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -93.87 173.28 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.611 0.706 . . . . 25.5 110.661 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.9 p -104.69 168.88 8.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 11.95 111.129 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.6 mt -66.3 -31.58 72.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 10.17 110.597 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -18.51 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.543 . . . . 13.59 111.431 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.7 m-20 -61.91 -35.82 79.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.95 0.405 . . . . 11.7 111.225 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -107.82 15.17 24.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 12.95 111.358 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 t30 56.86 43.16 25.38 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.774 -0.648 . . . . 25.45 111.41 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -79.28 116.34 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.697 -0.483 . . . . 14.6 109.697 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -92.95 -177.64 4.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 33.23 111.322 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -79.65 159.58 26.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.648 . . . . 25.97 109.936 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.5 8.06 2.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.84 0.456 . . . . 32.61 112.228 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.1 m -80.46 144.18 32.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.857 -0.423 . . . . 10.56 109.857 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -104.36 106.81 17.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.018 0.437 . . . . 5.33 111.724 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.92 142.45 40.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.795 -0.639 . . . . 11.66 109.521 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -91.12 106.8 18.77 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.556 -0.535 . . . . 16.3 109.556 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' B' ' 7' ' ' THR . 47.6 tp -92.27 106.63 18.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 9.96 111.085 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.515 HG13 HD11 ' B' ' 8' ' ' LEU . 1.9 t . . . . . 0 C--N 1.318 -0.796 0 N-CA-C 108.454 -0.943 . . . . 9.76 108.454 178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.413 ' O ' HG13 ' A' ' 56' ' ' ILE . 42.5 p . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.464 0.65 . . . . 13.75 110.349 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -141.76 144.95 24.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.027 -0.988 . . . . 14.12 109.242 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m -155.92 159.35 39.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.451 -0.203 . . . . 14.51 110.451 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -131.3 167.76 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 16.01 110.548 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 16.67 111.935 -179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.746 0.307 . . . . 40.81 110.55 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -109.39 143.87 38.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.261 0.553 . . . . 18.23 110.7 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -91.23 132.0 36.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.672 -0.695 . . . . 26.25 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.7 146.46 16.37 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.925 -0.87 . . . . 14.96 110.925 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 ttp -144.6 129.51 18.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.107 0.454 . . . . 21.59 110.583 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.13 124.9 73.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.83 -0.623 . . . . 12.92 110.262 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.484 HD13 HG21 ' B' ' 70' ' ' VAL . 1.9 mt -90.7 115.96 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.286 -0.635 . . . . 12.18 109.286 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.674 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -46.82 125.85 9.47 Favored Glycine 0 CA--C 1.522 0.494 0 O-C-N 123.867 0.729 . . . . 13.21 114.256 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 23.7 Cg_exo -65.55 138.66 55.44 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.989 2.46 . . . . 14.44 112.5 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 24.7 Cg_exo -63.82 160.6 36.26 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.551 2.168 . . . . 17.43 112.403 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 67.42 18.79 10.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.581 -0.736 . . . . 32.61 111.952 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 177.56 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 17.94 110.108 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -73.58 -13.65 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 18.91 110.323 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.674 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 55.6 m-85 -95.27 -2.49 49.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 16.86 110.707 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.17 132.2 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.644 0.609 . . . . 37.17 112.644 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 t30 63.99 22.29 12.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.08 -0.964 . . . . 30.81 112.152 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -111.44 125.21 53.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.921 0.391 . . . . 25.62 110.845 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -92.94 109.75 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.15 -0.477 . . . . 19.36 109.942 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.477 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 57.4 m-85 -101.0 121.51 41.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.223 -0.444 . . . . 12.92 111.056 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -90.8 134.6 34.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.679 -0.691 . . . . 13.09 109.901 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD21 ' CZ ' ' A' ' 87' ' ' PHE . 6.1 mp -126.9 160.18 31.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.121 0.486 . . . . 13.47 111.164 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.06 122.65 27.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.465 -0.789 . . . . 33.44 109.034 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.54 123.35 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.983 0.421 . . . . 19.18 110.81 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.19 122.4 46.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.092 -0.504 . . . . 42.22 109.967 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 50.5 m -89.34 138.54 31.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.924 -0.58 . . . . 25.59 110.582 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.13 178.52 46.48 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.808 -0.711 . . . . 26.42 112.266 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.19 -5.88 17.94 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.827 2.351 . . . . 31.44 113.264 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -109.87 14.99 22.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 44.64 110.66 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.7 t80 -72.93 141.87 82.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.394 -0.595 . . . . 29.6 109.394 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 83.6 Cg_endo -97.0 25.52 21.12 Favored 'Cis proline' 0 C--N 1.347 0.491 0 C-N-CA 124.45 -1.063 . . . . 27.94 113.554 0.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -75.58 -30.42 59.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.288 0.566 . . . . 36.76 109.83 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.91 149.25 40.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 30.58 110.372 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.72 134.34 37.48 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.7 2.267 . . . . 28.58 112.348 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 159.92 32.92 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.687 2.258 . . . . 20.75 112.249 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 115.88 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.119 -0.491 . . . . 29.16 110.453 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.456 HG21 HG11 ' A' ' 123' ' ' VAL . 39.0 t -115.17 138.58 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 20.48 110.984 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -151.12 154.83 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 41.41 110.271 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 34.7 m-85 -99.73 143.28 30.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 16.6 110.279 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.4 t -93.23 -48.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.197 0.522 . . . . 18.03 109.788 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 145.53 36.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.712 -0.676 . . . . 15.79 110.184 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 83.3 mttt -66.43 118.53 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 35.04 110.749 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.477 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.5 tt -136.37 136.69 48.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.523 -0.762 . . . . 14.88 110.768 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -101.46 92.72 5.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.937 -0.764 . . . . 14.21 108.937 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.9 ttt -132.33 138.75 47.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.495 -0.775 . . . . 15.6 110.169 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.05 100.55 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 27.45 110.85 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.14 -7.52 6.03 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.12 -0.562 . . . . 23.3 112.205 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.39 132.53 63.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 22.53 110.384 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.83 139.92 57.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 26.32 110.717 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -84.77 -3.95 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.176 0.806 . . . . 22.69 113.176 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 -54.8 2.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.675 -0.41 . . . . 31.16 111.411 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 p -90.96 -30.21 16.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 30.09 111.537 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.43 13.57 65.31 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.609 -0.805 . . . . 25.64 111.661 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.2 mtp -74.91 144.81 43.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.229 -0.285 . . . . 38.85 110.229 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -96.57 133.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 25.28 110.79 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.603 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 14.4 t0 -77.49 124.07 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.624 -0.51 . . . . 34.12 109.624 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.22 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.732 0.641 . . . . 29.16 112.732 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.607 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 26.1 ptt-85 -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.84 -0.344 . . . . 52.63 111.733 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -90.01 -16.7 29.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 34.05 110.43 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.452 HG22 HG22 ' A' ' 110' ' ' VAL . 27.7 mm -110.8 118.89 47.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 26.63 109.941 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.42 -45.27 27.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.535 2.823 . . . . 26.05 114.359 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 108' ' ' ILE . 30.0 m -70.41 -17.13 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 112.695 0.628 . . . . 25.84 112.695 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.03 -44.85 6.81 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 23.97 109.822 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.607 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -62.56 -40.26 96.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 28.65 109.763 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 50.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.371 -0.831 . . . . 39.1 108.974 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -58.88 135.25 57.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.297 -0.865 . . . . 29.08 111.997 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -115.85 143.14 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.101 -0.954 . . . . 45.36 108.889 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -72.99 -0.49 13.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 37.64 110.704 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.97 6.99 46.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 26.71 110.126 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -100.28 178.71 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 23.06 110.797 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.2 p -154.49 -179.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 17.53 110.413 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.69 -39.85 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 14.03 110.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.68 -41.61 86.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.755 -0.657 . . . . 24.78 110.694 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.87 -44.45 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.597 . . . . 17.36 110.705 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.456 HG11 HG21 ' A' ' 85' ' ' VAL . 22.0 t -63.73 -46.26 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.564 . . . . 14.42 110.492 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.77 -43.34 90.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.152 -0.476 . . . . 11.53 110.591 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -64.36 -41.28 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 16.85 110.787 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.94 -42.92 89.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 97.3 mt -59.86 -45.37 92.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 14.04 110.303 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -67.11 -30.71 70.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 10.15 110.6 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -66.83 -42.57 85.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.17 -11.38 60.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.668 -0.696 . . . . 17.72 111.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.6 mtt -79.49 -19.99 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.266 0.555 . . . . 18.11 109.603 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.2 mtm -95.68 1.46 53.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.825 -0.625 . . . . 22.93 109.89 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.411 ' HB3' ' OE1' ' A' ' 135' ' ' GLU . 49.4 m -70.58 147.34 49.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.784 -0.644 . . . . 25.92 110.314 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -54.2 -34.63 61.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 29.78 112.401 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 133' ' ' SER . 4.5 pm0 -84.83 8.02 18.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.866 0.691 . . . . 28.22 112.866 -178.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -136.22 -41.6 0.65 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.354 0.502 . . . . 18.41 112.354 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 22.1 ptm -52.85 -25.68 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.959 1.096 . . . . 20.97 113.959 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -114.86 17.41 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.03 0.377 . . . . 35.29 112.014 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.1 mt -77.69 128.83 78.49 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.87 -0.332 . . . . 15.71 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.87 124.79 16.75 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.638 2.225 . . . . 19.11 111.464 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -99.99 141.71 23.27 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.288 -0.415 . . . . 20.51 111.1 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.64 164.76 34.67 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.496 2.131 . . . . 26.0 110.987 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -43.91 118.41 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.171 2.581 . . . . 30.09 112.895 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -60.64 138.83 58.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.74 . . . . 46.96 111.1 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 105.21 -24.62 27.33 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.61 . . . . 36.35 112.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -74.66 134.43 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.341 . . . . 36.19 110.282 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.8 p -114.22 161.64 17.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.301 -0.409 . . . . 36.38 110.817 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 50.6 m-85 -78.62 -10.1 59.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.521 . . . . 44.37 110.261 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -146.94 140.2 25.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.649 -0.705 . . . . 53.87 109.788 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.052 -0.975 . . . . 55.71 110.61 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.1 ptt? . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.877 0.37 . . . . 17.17 110.219 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -86.05 121.32 28.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 21.89 111.835 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -121.25 171.62 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.978 -0.749 . . . . 10.83 108.978 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 66' ' ' THR . 88.5 m-85 -129.75 132.82 46.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.975 -0.29 . . . . 10.61 110.618 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.436 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 24.2 t -112.01 115.57 50.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.623 -0.51 . . . . 9.13 109.623 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 82.4 tttt -107.19 115.91 31.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.154 -0.476 . . . . 20.55 110.543 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -80.91 173.96 12.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.244 -0.435 . . . . 11.78 110.331 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.61 HD11 HG13 ' B' ' 70' ' ' VAL . 16.8 mt -68.18 -12.51 61.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 19.31 110.395 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.57 -7.42 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 23.14 110.619 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.34 81.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.957 -0.639 . . . . 19.74 111.573 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -86.32 110.44 19.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.774 0.321 . . . . 21.93 110.169 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 m -96.25 116.16 28.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.006 -0.543 . . . . 12.33 109.861 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.436 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 45.0 pt -105.39 151.31 7.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.611 -0.268 . . . . 17.08 110.629 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.24 140.15 30.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.961 -0.385 . . . . 16.3 109.961 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.42 143.62 31.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.311 . . . . 15.88 110.641 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -111.35 113.52 26.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.333 -0.394 . . . . 28.9 110.264 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -139.09 164.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.37 -0.377 . . . . 12.05 110.292 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 65.4 mm-40 -101.47 151.99 37.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.543 -0.54 . . . . 18.17 109.543 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.46 -26.75 55.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.696 2.264 . . . . 8.16 112.792 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -88.96 7.7 33.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 11.13 111.847 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.558 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -80.75 139.73 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 18.03 110.867 -179.671 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 147.96 31.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.081 -0.509 . . . . 10.22 110.46 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.28 -34.5 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.331 0.586 . . . . 12.3 110.331 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.96 -44.33 82.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.224 -0.898 . . . . 36.51 111.419 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.6 t30 -67.93 -36.17 79.68 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.784 0.326 . . . . 25.66 110.291 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.37 -43.47 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 8.12 109.727 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.0 -42.47 99.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.566 -0.743 . . . . 15.47 110.487 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 11.45 110.935 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 34.7 mtpt -66.46 -38.34 87.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 24.98 110.42 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.74 -39.32 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.457 . . . . 9.46 109.774 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.01 -32.65 74.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 14.76 110.872 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.03 -34.93 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.199 -0.455 . . . . 26.29 111.981 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -99.79 -48.94 4.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.912 0.708 . . . . 30.06 112.912 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -82.53 -39.06 22.89 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.058 -0.257 . . . . 25.19 111.598 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.81 38.56 5.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 7.41 112.744 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -111.84 122.33 37.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.118 -0.327 . . . . 9.49 110.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 49.2 Cg_exo -55.17 132.41 52.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.753 2.302 . . . . 11.42 112.149 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 49.2 Cg_exo -57.13 -32.19 92.64 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.9 2.4 . . . . 12.0 112.166 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -32.07 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 35.55 110.9 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.75 13.68 25.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.131 -0.486 . . . . 20.52 110.358 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 61.1 mt-30 -104.8 113.74 27.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 7.13 111.024 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -119.5 97.13 5.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.612 -0.885 . . . . 36.39 108.612 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 50' ' ' LEU . 18.4 mt -78.93 129.0 34.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.952 -0.567 . . . . 9.55 111.869 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -122.73 130.22 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 13.9 109.481 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.637 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.2 t80 -152.51 139.8 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 6.86 111.008 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 28.02 13.85 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.701 -0.681 . . . . 11.15 112.317 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.06 25.57 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.799 -0.715 . . . . 13.93 112.826 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -142.21 151.88 42.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.677 0.275 . . . . 0.0 110.265 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.46 132.52 35.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 23.23 110.39 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' B' ' 43' ' ' LEU . 34.2 mt -85.17 93.89 8.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.165 0.507 . . . . 9.11 110.119 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.97 142.94 52.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.263 -0.88 . . . . 33.44 111.713 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -47.85 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 28.37 111.906 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 42.86 2.94 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.174 -0.536 . . . . 15.0 113.797 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.9 mmp_? -136.54 162.23 33.67 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.81 -0.441 . . . . 25.5 109.81 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.9 p -105.77 174.99 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.583 0.23 . . . . 11.95 110.464 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.41 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 58.2 mt -68.28 -30.68 69.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 10.17 110.919 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -25.09 66.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.042 -0.527 . . . . 13.59 111.639 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.487 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 5.6 m-20 -62.73 -29.33 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 11.7 111.826 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -117.55 14.35 14.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.386 -0.37 . . . . 12.95 111.064 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 55.34 46.15 24.05 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.557 0.694 . . . . 25.45 110.998 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 85.1 mt -84.61 106.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.795 -0.639 . . . . 14.6 109.972 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.54 -166.46 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.926 -0.579 . . . . 33.23 109.725 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -71.32 155.31 40.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.39 -0.226 . . . . 25.97 110.39 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 70.93 -8.65 0.93 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.382 0.673 . . . . 32.61 112.793 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.9 m -61.34 123.96 19.26 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.822 0.344 . . . . 10.56 110.672 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -88.86 93.3 9.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.939 -0.573 . . . . 5.33 111.404 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.63 139.66 45.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.23 -1.026 . . . . 11.66 108.23 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 97.3 m-70 -102.08 116.09 31.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.291 -0.564 . . . . 16.3 110.809 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.9 tp -92.46 106.48 18.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.643 -0.708 . . . . 9.96 110.438 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.61 HG13 HD11 ' B' ' 8' ' ' LEU . 47.0 t . . . . . 0 C--N 1.318 -0.773 0 CA-C-N 115.535 -0.757 . . . . 9.76 109.467 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.564 HG22 HD22 ' B' ' 8' ' ' LEU . 81.6 p . . . . . 0 N--CA 1.455 -0.185 0 N-CA-C 111.897 0.332 . . . . 13.75 111.897 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.48 137.82 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 14.12 111.594 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -141.15 138.92 33.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 14.51 110.297 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 5.9 p90 -152.2 170.72 19.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.558 -0.534 . . . . 16.01 109.558 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.664 0 C-N-CA 119.93 -1.128 . . . . 16.67 112.911 179.665 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 50' ' ' ARG . 20.9 mtm180 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.111 0.481 . . . . 40.81 110.785 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -108.14 138.68 44.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.796 -0.638 . . . . 18.23 110.56 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -99.43 122.31 42.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 26.25 109.947 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.52 142.32 17.51 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.603 -0.808 . . . . 14.96 111.705 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.3 ttp -131.98 125.8 32.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.781 0.324 . . . . 21.59 110.258 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.95 122.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.099 0.476 . . . . 12.92 110.643 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.443 HG21 HG11 ' B' ' 70' ' ' VAL . 2.2 pt -87.53 128.12 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.791 -0.64 . . . . 12.18 109.443 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -56.65 129.91 49.49 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 116.114 -0.494 . . . . 13.21 113.343 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 26.3 Cg_exo -63.11 144.28 92.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.743 2.295 . . . . 14.44 112.081 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 23.8 Cg_exo -65.43 153.21 79.25 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.538 2.158 . . . . 17.43 112.31 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 69.0 24.24 6.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.52 -0.764 . . . . 32.61 112.251 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.744 -0.465 . . . . 17.94 109.744 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -77.76 -0.41 26.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 18.91 110.189 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.615 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 9.6 m-85 -113.14 16.48 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 16.86 110.883 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -57.9 119.98 7.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.891 0.377 . . . . 37.17 111.675 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 t30 69.98 15.11 7.81 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.104 -0.953 . . . . 30.81 111.851 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -91.59 145.83 24.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.968 -0.382 . . . . 25.62 109.968 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -118.91 110.51 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 19.36 109.828 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.435 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 51.2 m-85 -102.7 130.94 49.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.91 0.386 . . . . 12.92 111.011 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.47 136.15 38.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.663 -0.699 . . . . 13.09 110.45 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.08 149.8 50.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.519 . . . . 13.47 111.066 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -116.85 114.9 24.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 33.44 109.36 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.48 117.06 54.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.803 0.335 . . . . 19.18 110.266 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.44 114.27 27.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.038 -0.528 . . . . 42.22 110.276 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -80.85 106.53 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.862 -0.608 . . . . 25.59 110.946 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.87 170.11 33.49 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.812 -0.631 . . . . 26.42 112.812 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.42 -25.37 80.28 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.201 2.6 . . . . 31.44 113.163 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.61 7.6 38.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.612 -0.267 . . . . 44.64 111.468 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 85.0 t80 -71.73 140.79 84.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.287 -0.634 . . . . 29.6 109.287 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . 87.0 Cg_endo -98.05 21.86 24.92 Favored 'Cis proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.549 -1.021 . . . . 27.94 113.116 0.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -71.13 -29.26 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.107 0.48 . . . . 36.76 110.094 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.7 154.8 57.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 30.58 109.985 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.91 132.39 28.16 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.692 2.261 . . . . 28.58 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.57 170.96 18.92 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.912 2.408 . . . . 20.75 112.428 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.41 114.52 21.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 29.16 110.395 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.5 t -119.05 133.31 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.398 -0.364 . . . . 20.48 110.567 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -152.59 154.37 35.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 41.41 110.536 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.46 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.124 -0.489 . . . . 16.6 110.431 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.19 -41.84 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.215 0.531 . . . . 18.03 109.695 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 143.51 29.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.621 -0.718 . . . . 15.79 110.167 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 94.1 mttt -67.81 117.52 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 35.04 110.773 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.435 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 6.8 tt -136.56 130.65 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.569 . . . . 14.88 111.057 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -88.88 91.86 8.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.133 -0.691 . . . . 14.21 109.133 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.7 ttt -129.8 147.2 51.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.894 -0.594 . . . . 15.6 110.391 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.23 105.07 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 27.45 111.039 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.21 -4.75 13.64 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.675 -0.774 . . . . 23.3 112.443 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.28 125.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.991 -0.374 . . . . 22.53 109.991 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.17 129.01 38.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 26.32 110.216 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -78.96 -5.94 55.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.997 0.74 . . . . 22.69 112.997 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -98.74 -57.81 2.1 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.9 -0.32 . . . . 31.16 111.677 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -93.86 -24.43 17.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.845 0.313 . . . . 30.09 111.845 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.34 63.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.668 -0.777 . . . . 25.64 112.04 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 82.3 mtp -75.92 140.85 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.863 0.363 . . . . 38.85 110.914 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.31 125.46 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 25.28 110.389 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.518 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 47.6 t0 -75.0 117.69 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 34.12 110.218 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.15 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 29.16 112.641 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 28.6 ptt-85 -78.07 -4.37 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.647 -0.421 . . . . 52.63 111.707 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -101.56 -4.02 27.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.518 . . . . 34.05 110.27 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.83 117.07 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.145 -0.687 . . . . 26.63 109.145 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.67 -49.42 13.52 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.316 2.678 . . . . 26.05 114.252 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.411 HG22 ' HG2' ' A' ' 126' ' ' GLU . 32.9 m -68.89 -18.15 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.673 0.62 . . . . 25.84 112.673 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -94.64 -36.27 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.945 0.402 . . . . 23.97 110.035 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.78 73.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 28.65 109.868 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -110.76 45.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.637 -0.711 . . . . 39.1 109.405 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.24 137.07 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.12 -0.946 . . . . 29.08 111.739 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -121.43 154.53 36.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.437 -0.801 . . . . 45.36 109.389 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -65.87 -15.03 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.166 0.508 . . . . 37.64 110.7 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 2.27 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.631 . . . . 26.71 111.056 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -91.04 169.15 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.897 0.38 . . . . 23.06 110.59 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 57.2 p -153.09 -176.62 5.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.942 -0.572 . . . . 17.53 110.436 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.09 -44.51 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.257 0.551 . . . . 14.03 110.532 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.409 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 17.2 ttpt -60.43 -40.1 89.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.279 -0.873 . . . . 24.78 111.612 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.67 -43.16 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 17.36 110.861 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.29 -47.06 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 14.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.73 -44.31 90.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 11.53 111.407 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.6 -40.39 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 16.85 110.715 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 129' ' ' ARG . 7.1 tp10 -65.92 -45.08 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 30.3 110.709 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.38 -45.45 91.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 14.04 111.081 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.6 ttt180 -66.26 -30.09 70.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 10.15 110.443 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 126' ' ' GLU . 68.5 ttp85 -68.92 -41.56 77.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.519 . . . . 27.05 109.6 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.3 -19.06 63.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 17.72 110.728 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 62.5 mtt -74.45 -25.14 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.658 -0.497 . . . . 18.11 109.658 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 51.2 mtm -85.95 -10.05 55.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 22.93 110.167 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.3 m -66.81 140.25 57.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.597 . . . . 25.92 110.022 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -54.3 -28.48 42.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.153 0.502 . . . . 29.78 111.858 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.71 -13.03 61.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 28.22 112.424 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -128.25 -36.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.116 0.413 . . . . 18.41 112.116 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.5 ptm -56.39 -26.65 53.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.834 0.679 . . . . 20.97 112.834 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -111.88 31.24 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 35.29 111.588 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.7 mt -99.06 126.15 39.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.492 -0.322 . . . . 15.71 110.351 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.5 129.16 33.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.67 2.247 . . . . 19.11 111.109 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -107.41 143.55 27.43 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.544 -0.298 . . . . 20.51 111.621 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.73 167.15 21.95 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.949 2.433 . . . . 26.0 111.312 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.97 127.38 3.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.34 2.694 . . . . 30.09 112.992 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -62.37 121.86 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.2 -0.909 . . . . 46.96 111.345 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.61 24.83 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.529 -0.843 . . . . 36.35 112.621 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.16 133.93 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.364 . . . . 36.19 110.865 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 p -118.02 154.96 31.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.259 -0.428 . . . . 36.38 110.61 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 61.6 m-85 -72.24 -16.54 61.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 44.37 110.532 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -140.55 162.24 35.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 53.87 109.52 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.214 -0.898 . . . . 55.71 110.532 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.772 0.32 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -96.18 129.8 43.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.129 0.49 . . . . 21.89 111.542 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -130.92 165.8 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.706 -0.679 . . . . 10.83 109.218 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' B' ' 66' ' ' THR . 93.2 m-85 -121.18 140.44 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.604 0.24 . . . . 10.61 110.615 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.435 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 38.3 t -116.99 118.51 59.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.65 -0.5 . . . . 9.13 109.65 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -111.29 123.58 50.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.423 -0.353 . . . . 20.55 110.705 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -80.39 -177.65 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.17 -0.468 . . . . 11.78 111.147 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.62 HD21 HG22 ' B' ' 70' ' ' VAL . 40.7 mt -79.42 -20.46 47.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.354 0.597 . . . . 19.31 110.078 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -37.99 61.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.549 -0.75 . . . . 23.14 110.175 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.7 2.73 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.598 -0.728 . . . . 19.74 111.64 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -51.12 132.73 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.042 0.537 . . . . 21.93 111.79 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.8 m -123.49 123.36 40.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 12.33 109.969 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.435 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 30.7 pt -111.74 155.95 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 17.08 111.351 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 132.17 41.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.864 -0.607 . . . . 16.3 109.754 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -130.57 137.43 49.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.926 0.393 . . . . 15.88 110.628 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -113.06 106.54 14.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.9 -0.591 . . . . 28.9 109.761 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 1' ' ' MET . 6.6 m -139.15 164.43 25.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.088 -0.506 . . . . 12.05 110.335 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 79.5 mm-40 -98.93 154.8 37.18 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.262 -0.644 . . . . 18.17 109.262 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -24.67 75.03 Favored 'Trans proline' 0 N--CA 1.473 0.286 0 C-N-CA 122.294 1.996 . . . . 8.16 112.169 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 1.96 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 11.13 111.37 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -75.2 150.44 38.65 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.963 0.411 . . . . 18.03 111.16 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -92.36 149.6 21.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.794 -0.639 . . . . 10.22 110.195 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -57.97 -32.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 12.3 110.352 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.25 -43.18 99.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 36.51 110.337 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -72.42 -32.32 66.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 25.66 110.043 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 22' ' ' THR . 70.7 t -60.52 -45.28 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 8.12 109.662 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.18 -33.23 75.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.606 -0.725 . . . . 15.47 110.411 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.92 94.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.657 -0.702 . . . . 11.45 110.458 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 60.9 mttt -68.84 -35.5 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.03 -0.532 . . . . 24.98 110.18 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.1 -45.27 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.84 -0.43 . . . . 9.46 109.84 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.48 -33.01 74.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.253 0.549 . . . . 14.76 110.347 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.33 -22.97 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.356 -0.838 . . . . 26.29 112.489 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 14.0 ptpt -119.07 -39.47 2.92 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.962 0.727 . . . . 30.06 112.962 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -29.27 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.836 0.31 . . . . 25.19 111.836 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 12.04 69.84 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.462 -0.875 . . . . 7.41 112.942 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.75 121.37 64.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.268 -0.271 . . . . 9.49 110.268 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 33.9 Cg_exo -60.17 133.35 49.35 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.8 2.334 . . . . 11.42 112.527 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.7 Cg_exo -57.53 -19.14 35.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.065 2.51 . . . . 12.0 112.509 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.03 -43.3 73.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.729 -0.669 . . . . 35.55 111.98 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -104.02 14.68 30.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.346 -0.388 . . . . 20.52 111.501 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -91.01 127.66 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.534 -0.303 . . . . 7.13 110.696 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.636 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.7 ttp180 -137.79 111.03 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.973 -0.751 . . . . 36.39 108.973 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -94.03 131.65 39.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 9.55 111.481 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.18 131.07 70.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.514 -0.766 . . . . 13.9 109.416 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.613 ' HB3' HD21 ' B' ' 50' ' ' LEU . 62.9 t80 -139.55 126.36 20.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.722 -0.217 . . . . 6.86 111.162 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.66 29.92 14.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.807 -0.633 . . . . 11.15 112.545 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.97 8.77 85.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.756 -0.735 . . . . 13.93 112.735 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -119.58 144.06 47.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -86.74 134.96 33.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.172 -0.467 . . . . 23.23 110.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.6 mt -91.2 115.52 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.459 -0.337 . . . . 9.11 110.92 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.82 140.94 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 33.44 110.383 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.54 -44.05 76.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.981 0.734 . . . . 28.37 112.981 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.61 -6.58 86.92 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.73 -0.748 . . . . 15.0 113.858 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -92.01 167.31 12.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.241 0.521 . . . . 25.5 110.902 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.1 p -104.14 174.38 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.868 -0.605 . . . . 11.95 110.992 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' B' ' 61' ' ' ILE . 87.6 mt -67.69 -38.14 83.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 10.17 110.616 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -22.56 65.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.911 -0.586 . . . . 13.59 111.562 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.18 -25.62 68.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.942 0.401 . . . . 11.7 111.678 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -116.38 15.75 15.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.339 -0.391 . . . . 12.95 111.079 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 60.16 39.22 19.65 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.677 0.611 . . . . 25.45 111.141 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' B' ' 56' ' ' LEU . 79.6 mt -78.89 121.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.914 -0.402 . . . . 14.6 109.914 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -105.4 174.24 5.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.579 . . . . 33.23 110.337 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 13.3 pttp -75.43 162.79 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.699 -0.482 . . . . 25.97 109.699 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.6 mp0 70.49 2.16 3.95 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.463 0.477 . . . . 32.61 111.593 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -81.75 158.53 24.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.662 0.268 . . . . 10.56 110.4 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.1 m -119.59 104.19 10.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.508 . . . . 5.33 110.749 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.77 141.03 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.767 -0.651 . . . . 11.66 109.375 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -96.64 121.97 39.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.84 0.352 . . . . 16.3 110.653 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.49 92.76 9.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.326 0.584 . . . . 9.96 110.269 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 115.397 -0.82 . . . . 9.76 109.438 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 121.127 0.489 . . . . 13.75 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -76.99 152.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.874 -0.603 . . . . 14.12 111.028 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -155.05 153.74 31.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 14.51 109.614 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.401 ' HB3' HD11 ' A' ' 124' ' ' LEU . 21.2 p90 -143.32 170.16 16.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 16.01 110.174 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.749 0 C-N-CA 120.731 -0.747 . . . . 16.67 112.195 -179.954 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.071 0.463 . . . . 40.81 110.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -111.51 142.45 43.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 18.23 110.022 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.33 132.85 53.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 26.25 109.244 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.02 18.16 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.227 -0.749 . . . . 14.96 111.227 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.5 ttp -133.31 129.97 38.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.113 0.482 . . . . 21.59 111.053 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -125.56 118.49 52.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.531 -0.758 . . . . 12.92 110.116 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 129.71 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.009 -0.541 . . . . 12.18 109.632 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.707 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.82 125.31 34.85 Favored Glycine 0 N--CA 1.446 -0.683 0 O-C-N 123.649 0.593 . . . . 13.21 112.631 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 27.4 Cg_exo -61.94 142.6 93.56 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.773 2.316 . . . . 14.44 112.289 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 34.1 Cg_exo -61.77 150.66 84.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.326 2.017 . . . . 17.43 111.939 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 73.28 -4.73 2.12 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.765 0.654 . . . . 32.61 112.765 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -100.21 175.53 5.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.971 -0.381 . . . . 17.94 109.971 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.81 -4.14 38.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.853 0.358 . . . . 18.91 111.009 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.707 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -103.42 4.55 36.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 16.86 109.928 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 40.9 tt0 -49.32 124.46 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.734 0.642 . . . . 37.17 112.734 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 69.2 m-80 76.89 -5.83 2.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.917 -1.038 . . . . 30.81 113.315 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.33 136.15 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 25.62 111.287 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.2 mt -104.5 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.008 -0.738 . . . . 19.36 109.008 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.686 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 29.1 m-85 -96.54 136.35 37.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.992 -0.549 . . . . 12.92 111.746 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 147.47 38.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.472 -0.786 . . . . 13.09 110.08 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 151.1 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 13.47 110.954 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -104.06 115.53 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.648 -0.871 . . . . 33.44 108.648 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.24 125.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 19.18 110.742 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -120.27 111.1 17.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.001 -0.545 . . . . 42.22 110.54 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.21 117.07 21.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 25.59 110.054 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.1 173.86 52.34 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.118 -0.563 . . . . 26.42 112.979 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.51 -16.57 55.45 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.224 2.616 . . . . 31.44 112.972 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 72.5 mttt -100.06 13.73 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.627 -0.261 . . . . 44.64 111.436 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.501 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 36.5 t80 -72.31 140.5 82.48 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.876 -0.416 . . . . 29.6 109.876 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.501 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -98.23 19.61 27.02 Favored 'Cis proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.728 -0.947 . . . . 27.94 113.104 0.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -67.35 -37.92 84.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.161 0.505 . . . . 36.76 110.178 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 77' ' ' LYS . . . -108.66 149.29 39.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.531 -0.759 . . . . 30.58 110.443 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.49 135.08 44.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.667 2.245 . . . . 28.58 112.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.94 158.89 27.45 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.972 2.448 . . . . 20.75 112.54 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.77 116.53 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 29.16 110.28 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -121.1 132.56 70.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 20.48 110.707 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -144.66 146.32 32.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 41.41 110.159 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.95 144.59 29.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 16.6 111.059 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.24 -47.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 18.03 109.789 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.486 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -84.24 149.63 25.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.867 -0.606 . . . . 15.79 110.723 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 96.4 mttt -66.69 119.92 12.59 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.822 0.344 . . . . 35.04 111.347 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.686 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 15.3 tt -141.23 131.46 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 14.88 110.987 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -97.36 85.23 3.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.133 -0.692 . . . . 14.21 109.133 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.9 ttt -124.77 137.98 54.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.349 -0.842 . . . . 15.6 109.757 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -60.53 113.22 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 27.45 111.08 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.95 -10.8 20.73 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.656 . . . . 23.3 112.046 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -108.02 128.4 63.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.799 0.333 . . . . 22.53 110.513 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -72.03 132.06 43.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 26.32 109.839 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -86.42 6.82 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.217 0.821 . . . . 22.69 113.217 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -98.24 -62.48 1.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.084 -0.385 . . . . 31.16 110.715 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 -16.23 16.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 30.09 111.108 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.15 12.44 60.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.615 -0.802 . . . . 25.64 112.363 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtp -65.82 131.04 45.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 38.85 111.237 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.9 t -89.26 125.48 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.686 -0.486 . . . . 25.28 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.65 110.79 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.777 -0.453 . . . . 34.12 109.777 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.01 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.696 0.628 . . . . 29.16 112.696 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -71.57 -11.99 61.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.715 0.293 . . . . 52.63 111.641 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.0 m -95.52 -4.35 44.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.765 0.317 . . . . 34.05 111.027 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.87 120.78 33.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.843 -0.429 . . . . 26.63 109.843 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.18 -47.79 20.75 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.459 2.773 . . . . 26.05 114.162 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.2 m -74.21 -14.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.907 0.706 . . . . 25.84 112.907 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.05 -38.19 9.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.731 -0.387 . . . . 23.97 110.486 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -69.55 -44.43 70.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.272 0.558 . . . . 28.65 109.945 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.35 40.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.455 -0.793 . . . . 39.1 109.384 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -55.44 128.26 33.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.097 -0.956 . . . . 29.08 111.986 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -110.5 152.7 26.05 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.96 -1.018 . . . . 45.36 108.845 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -68.16 -8.36 37.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.179 0.514 . . . . 37.64 110.514 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -2.39 58.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 26.71 110.677 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -93.47 170.9 9.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.579 . . . . 23.06 110.421 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -159.43 -179.91 8.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.946 -0.57 . . . . 17.53 109.996 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.92 -34.67 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.17 0.509 . . . . 14.03 110.652 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.89 -49.3 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.381 -0.827 . . . . 24.78 110.997 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.4 -41.18 91.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 17.36 111.401 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.75 -52.87 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 14.42 111.778 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 38' ' ' TRP . 53.6 mt -61.03 -41.07 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 11.53 111.502 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.23 -41.14 86.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.524 -0.307 . . . . 16.85 111.163 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -64.75 -44.09 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.437 -0.347 . . . . 30.3 110.533 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -44.34 91.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 14.04 110.487 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -67.16 -33.43 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 10.15 110.558 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -66.25 -41.45 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.619 -0.512 . . . . 27.05 109.619 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.18 -15.75 62.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.743 -0.662 . . . . 17.72 110.721 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 57.5 mtt -78.75 -24.47 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.28 0.562 . . . . 18.11 109.506 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.2 mtt -85.09 -7.79 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.789 . . . . 22.93 109.883 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.7 m -69.58 144.48 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.725 . . . . 25.92 110.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.78 -39.15 62.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.62 0.6 . . . . 29.78 112.62 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -72.38 -1.81 16.95 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.122 0.786 . . . . 28.22 113.122 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -131.37 -42.7 1.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.441 0.534 . . . . 18.41 112.441 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.2 ptm -52.84 -25.3 11.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.878 1.066 . . . . 20.97 113.878 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -121.14 40.48 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.485 -0.486 . . . . 35.29 112.222 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 19.7 mt -100.33 137.02 19.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.941 -0.392 . . . . 15.71 109.941 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.11 118.7 5.63 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.642 2.228 . . . . 19.11 111.402 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -100.22 143.02 25.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 20.51 111.637 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.34 168.64 20.43 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.002 2.468 . . . . 26.0 111.4 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -44.99 123.11 4.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.133 2.555 . . . . 30.09 113.029 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -64.35 127.55 31.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.638 -0.71 . . . . 46.96 110.575 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 114.1 -23.45 12.76 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.372 -0.918 . . . . 36.35 112.799 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.6 141.08 39.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 36.19 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.3 p -116.76 164.61 14.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 36.38 111.643 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 47.1 m-85 -82.55 -6.05 59.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.521 . . . . 44.37 110.279 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -137.19 131.54 32.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 53.87 110.412 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . 0.421 HD22 ' HA ' ' A' ' 150' ' ' ASN . 1.3 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.243 -0.884 . . . . 55.71 111.286 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.966 -0.383 . . . . 17.17 109.966 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -109.2 129.03 55.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.898 0.38 . . . . 21.89 110.768 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -114.83 158.33 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 10.83 109.861 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.09 107.96 17.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.489 -0.323 . . . . 10.61 110.455 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.491 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 39.1 t -93.98 107.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.288 -0.634 . . . . 9.13 109.288 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 66.1 tttt -103.96 127.67 51.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.649 -0.705 . . . . 20.55 110.978 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 175.02 9.38 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.911 -0.586 . . . . 11.78 109.511 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 mt -78.93 -1.93 37.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 19.31 110.087 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -5.03 45.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.63 -0.714 . . . . 23.14 110.562 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 -4.43 64.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.863 -0.684 . . . . 19.74 112.848 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -76.02 128.04 34.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.056 -0.35 . . . . 21.93 110.056 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -119.31 109.32 15.66 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.857 0.36 . . . . 12.33 110.985 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.491 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.7 pt -100.63 143.21 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.94 -0.573 . . . . 17.08 110.717 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.76 136.52 36.06 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.164 -0.471 . . . . 16.3 110.25 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tp -132.86 135.26 45.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.387 -0.369 . . . . 15.88 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.17 105.12 15.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.182 -0.463 . . . . 28.9 109.858 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -138.77 176.34 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.528 -0.306 . . . . 12.05 110.932 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 75.8 mm-40 -115.15 153.58 47.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.091 -0.707 . . . . 18.17 109.091 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.7 Cg_exo -55.79 -25.87 54.08 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 122.609 2.206 . . . . 8.16 113.386 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -10.93 59.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 11.13 111.49 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.6 m-20 -68.55 136.48 53.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 18.03 110.575 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.0 p -79.79 149.91 30.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.86 -0.609 . . . . 10.22 110.171 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -58.49 -35.22 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.229 0.537 . . . . 12.3 110.086 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.14 -37.68 88.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.755 . . . . 36.51 110.507 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -73.2 -35.81 66.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 25.66 109.719 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 22' ' ' THR . 79.8 t -61.08 -45.15 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 8.12 110.27 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.41 -36.0 79.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.47 110.951 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.22 90.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 11.45 110.324 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -71.48 -36.5 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.608 -0.723 . . . . 24.98 110.235 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.79 -41.35 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.06 -0.719 . . . . 9.46 109.06 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.51 -27.18 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 14.76 110.218 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.37 -39.66 89.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.987 -0.551 . . . . 26.29 111.84 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -101.35 -33.69 9.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.065 0.765 . . . . 30.06 113.065 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -98.02 -19.52 17.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.656 0.613 . . . . 25.19 112.656 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.71 19.33 79.94 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.524 -0.846 . . . . 7.41 113.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.27 118.04 68.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.752 -0.264 . . . . 9.49 110.719 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.5 Cg_exo -59.17 125.17 17.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.621 2.214 . . . . 11.42 112.225 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.7 Cg_exo -52.88 -25.12 26.39 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.52 2.814 . . . . 12.0 113.168 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.52 -37.05 67.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 35.55 111.361 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -110.09 45.61 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.444 0.64 . . . . 20.52 110.451 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -125.1 105.58 9.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 7.13 111.376 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.58 98.64 7.58 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.323 -0.621 . . . . 36.39 109.323 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.44 ' HB3' HD12 ' B' ' 50' ' ' LEU . 57.9 mt -80.24 118.83 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.818 -0.628 . . . . 9.55 111.364 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.66 128.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.433 -0.803 . . . . 13.9 110.322 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.489 ' CD2' HG12 ' B' ' 61' ' ' ILE . 73.6 t80 -145.92 132.44 19.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 6.86 110.312 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 25.78 12.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 11.15 111.538 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 13.65 80.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.836 -0.697 . . . . 13.93 112.811 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -125.17 150.31 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.872 0.368 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.35 125.85 35.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.803 -0.635 . . . . 23.23 109.675 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.0 mt -79.15 114.8 18.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 9.11 111.413 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.407 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 33.5 tt0 -74.0 137.42 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.166 -0.47 . . . . 33.44 110.503 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -48.01 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 28.37 112.661 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.22 23.65 3.22 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.991 -0.623 . . . . 15.0 114.475 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.407 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 5.2 mmt180 -123.22 170.96 9.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.628 0.714 . . . . 25.5 109.999 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -106.71 172.92 6.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.729 0.299 . . . . 11.95 110.652 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 18' ' ' GLU . 55.2 mt -67.46 -28.25 67.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.265 0.555 . . . . 10.17 110.002 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -20.92 61.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 13.59 111.8 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.29 -19.25 63.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.121 0.486 . . . . 11.7 111.376 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -120.32 11.21 11.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.165 -0.47 . . . . 12.95 110.259 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 55.58 45.09 25.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.262 -0.881 . . . . 25.45 111.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.489 HG12 ' CD2' ' B' ' 45' ' ' PHE . 62.2 mt -79.45 109.31 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.12 0.486 . . . . 14.6 109.734 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -85.34 -174.14 5.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 33.23 111.001 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -81.45 154.64 26.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 25.97 109.626 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 66.85 8.19 5.84 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.438 0.461 . . . . 32.61 111.893 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.9 m -75.12 150.69 38.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.924 -0.399 . . . . 10.56 109.924 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -108.46 110.75 22.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 5.33 112.101 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.5 mt -86.95 145.3 26.59 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.524 -0.917 . . . . 11.66 108.524 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 27.9 m-70 -113.35 119.25 37.02 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.872 -0.331 . . . . 16.3 110.218 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 tp -90.21 115.49 27.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.988 0.423 . . . . 9.96 111.456 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 115.681 -0.69 . . . . 9.76 109.933 179.399 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.547 HG22 HD22 ' B' ' 8' ' ' LEU . 46.6 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 121.23 0.538 . . . . 13.75 110.256 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -80.92 142.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 14.12 110.37 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -138.24 153.83 49.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.302 -0.408 . . . . 14.51 110.311 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -147.22 164.28 33.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.136 -0.32 . . . . 16.01 110.136 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.622 0 N-CA-C 111.411 -0.676 . . . . 16.67 111.411 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 . . . . . 0 C--O 1.235 0.305 0 CA-C-O 121.223 0.535 . . . . 40.81 111.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -125.87 136.1 52.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 18.23 109.812 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -89.7 129.45 36.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.738 0.304 . . . . 26.25 110.577 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.25 154.66 16.81 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.789 -0.924 . . . . 14.96 110.789 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.2 ttp -147.2 129.78 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.172 0.486 . . . . 21.59 110.693 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.1 mt -127.29 123.74 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.957 -0.565 . . . . 12.92 110.571 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 pt -86.33 126.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.473 -0.566 . . . . 12.18 109.473 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.631 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -61.54 127.0 40.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 13.21 112.408 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.7 Cg_exo -59.98 144.4 99.47 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.793 2.329 . . . . 14.44 112.288 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 20.5 Cg_exo -64.99 156.93 59.8 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.532 2.155 . . . . 17.43 112.391 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 65.89 21.14 11.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.364 -0.834 . . . . 32.61 112.451 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -125.13 179.89 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.1 -0.704 . . . . 17.94 109.1 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.07 -11.97 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 18.91 110.337 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.631 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 33.6 m-85 -103.17 8.78 38.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 16.86 110.142 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.11 129.41 30.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.916 0.71 . . . . 37.17 112.916 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t30 59.32 31.71 21.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.022 -0.99 . . . . 30.81 112.279 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -115.7 120.4 39.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.926 0.393 . . . . 25.62 110.95 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.1 mt -89.68 106.26 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.841 -0.618 . . . . 19.36 109.517 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 45.4 m-85 -99.71 126.57 45.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 12.92 111.378 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.64 142.01 28.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 13.09 110.351 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.67 159.64 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.067 0.46 . . . . 13.47 111.091 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.59 117.65 24.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.637 -0.711 . . . . 33.44 109.171 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -114.26 125.67 71.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 19.18 110.496 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' CD ' HH22 ' A' ' 86' ' ' ARG . 67.3 mt-10 -114.19 110.06 19.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.932 0.396 . . . . 42.22 110.823 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.0 109.98 16.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.722 -0.672 . . . . 25.59 110.14 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.09 173.76 38.43 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 26.42 112.94 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.67 -13.58 37.59 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 123.182 2.588 . . . . 31.44 112.428 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.37 -4.76 53.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 44.64 111.487 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -58.18 137.66 84.48 Favored Pre-proline 0 N--CA 1.466 0.347 0 N-CA-C 110.198 -0.297 . . . . 29.6 110.198 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -98.52 22.56 23.28 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 124.634 -0.986 . . . . 27.94 113.425 -0.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.66 -37.56 70.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.837 0.351 . . . . 36.76 110.842 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.73 146.36 34.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 30.58 110.822 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.75 130.8 30.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.876 2.384 . . . . 28.58 112.242 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.91 160.22 43.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 20.75 112.201 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.74 124.24 27.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.791 -0.448 . . . . 29.16 109.791 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.59 133.79 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 20.48 111.164 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.401 HH22 ' CD ' ' A' ' 73' ' ' GLU . 32.0 ptt-85 -150.44 150.08 30.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.116 -0.493 . . . . 41.41 109.953 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -90.92 151.09 21.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 16.6 110.593 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.3 t -98.77 -49.88 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 18.03 109.468 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.71 142.34 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.829 -0.623 . . . . 15.79 109.596 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 87.2 mttt -66.0 115.65 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.162 0.506 . . . . 35.04 110.834 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.9 tt -133.62 138.83 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.497 -0.774 . . . . 14.88 110.466 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.12 98.63 9.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.026 -0.731 . . . . 14.21 109.026 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.9 ttt -139.49 135.03 33.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.595 -0.729 . . . . 15.6 109.86 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -57.78 110.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 27.45 111.474 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.58 -7.69 13.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.008 -0.615 . . . . 23.3 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 103' ' ' VAL . 2.0 mp -110.13 134.99 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.648 0.261 . . . . 22.53 110.472 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -73.26 144.58 46.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 26.32 110.621 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -87.21 -13.52 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.662 0.616 . . . . 22.69 112.662 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 m -101.08 -57.42 2.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.774 0.321 . . . . 31.16 111.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -84.41 -28.22 27.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.805 0.336 . . . . 30.09 111.149 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.95 7.66 88.34 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 25.64 111.584 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.9 mtp -71.26 146.17 49.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.703 0.287 . . . . 38.85 110.855 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 96' ' ' ILE . 42.2 t -95.18 126.2 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.002 -0.544 . . . . 25.28 110.349 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.57 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 41.3 t0 -74.69 117.96 17.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 34.12 110.16 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.643 -0.708 . . . . 29.16 112.751 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.57 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 24.5 ptt-85 -76.51 -7.4 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.584 -0.446 . . . . 52.63 111.539 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 m -104.33 0.65 29.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.93 0.395 . . . . 34.05 110.402 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 104' ' ' ASP . 34.7 mm -120.81 117.91 30.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 26.63 109.845 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 -46.12 28.25 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.423 2.749 . . . . 26.05 114.562 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.89 -18.53 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.584 0.587 . . . . 25.84 112.584 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.7 mt -95.28 -38.75 10.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.68 0.276 . . . . 23.97 110.493 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.94 79.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.46 0.647 . . . . 28.65 110.06 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -115.76 49.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.515 -0.766 . . . . 39.1 109.383 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -61.19 144.81 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.186 -0.915 . . . . 29.08 111.195 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.01 152.11 48.97 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.784 -0.821 . . . . 45.36 108.784 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -63.21 -18.5 63.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.653 0.263 . . . . 37.64 111.659 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.14 0.35 45.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.925 0.393 . . . . 26.71 111.563 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -90.11 161.93 15.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.406 -0.361 . . . . 23.06 110.279 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -150.82 179.34 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 17.53 110.002 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.98 -44.34 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.046 0.451 . . . . 14.03 110.71 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -56.35 -41.13 75.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.443 -0.798 . . . . 24.78 111.104 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.02 -42.52 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 17.36 110.844 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.94 -48.91 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 14.42 110.827 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.4 -41.28 93.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 11.53 111.156 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.08 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.349 . . . . 16.85 110.791 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.51 -46.43 69.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 30.3 110.634 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.83 -41.19 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 14.04 110.533 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -66.59 -37.21 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 10.15 110.159 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -63.91 -37.38 87.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.216 0.532 . . . . 27.05 109.762 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.75 -24.47 61.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 17.72 110.862 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.0 -27.42 65.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.289 0.566 . . . . 18.11 110.241 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.411 ' HG3' ' HG2' ' A' ' 58' ' ' PRO . 53.8 mtm -93.27 9.13 37.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 22.93 110.587 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t -80.78 151.27 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 25.92 109.75 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HA ' ' SD ' ' A' ' 137' ' ' MET . 52.3 tptt -52.24 -39.38 60.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.052 0.76 . . . . 29.78 113.052 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -79.49 -1.61 38.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.376 0.88 . . . . 28.22 113.376 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -128.09 -36.17 1.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.487 0.551 . . . . 18.41 112.487 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.484 ' SD ' ' HA ' ' A' ' 134' ' ' LYS . 15.6 ptm -52.32 -23.17 5.4 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.907 1.077 . . . . 20.97 113.907 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -122.63 24.33 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.757 -0.377 . . . . 35.29 111.884 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 139' ' ' LEU . 10.2 mt -79.12 130.88 68.02 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.166 -0.309 . . . . 15.71 110.166 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.06 117.66 4.39 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.724 2.283 . . . . 19.11 111.553 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -92.61 136.46 25.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 20.51 111.286 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.27 169.74 19.99 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.599 2.199 . . . . 26.0 111.111 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -47.54 130.37 18.03 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.776 2.317 . . . . 30.09 112.285 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.67 136.01 54.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.263 -0.881 . . . . 46.96 111.316 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 106.65 -26.8 18.61 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.722 -0.751 . . . . 36.35 112.904 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.57 136.34 56.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 36.19 110.699 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 p -121.33 159.64 25.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.384 -0.371 . . . . 36.38 110.578 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 69.2 m-85 -72.28 -19.53 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 44.37 110.365 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -124.08 140.08 53.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.55 -0.75 . . . . 53.87 109.291 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 m120 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.323 -0.846 . . . . 55.71 111.349 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.158 -0.312 . . . . 17.17 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -88.89 118.65 28.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.163 -0.472 . . . . 21.89 110.894 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.3 pt -118.25 165.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.023 -0.732 . . . . 10.83 109.023 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.5 m-85 -124.77 131.43 53.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.746 0.307 . . . . 10.61 110.711 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.462 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 22.1 t -109.64 119.87 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.869 -0.789 . . . . 9.13 108.869 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 86.2 tttt -113.8 124.03 51.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.05 0.452 . . . . 20.55 111.09 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.499 HG23 HD23 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -83.49 169.01 15.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.649 -0.705 . . . . 11.78 110.262 179.101 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 35' ' ' THR . 18.6 mt -64.15 -21.02 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.91 0.386 . . . . 19.31 111.074 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -17.15 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 23.14 110.774 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -8.46 47.47 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.883 -0.599 . . . . 19.74 111.718 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 59.4 tttm -63.14 129.33 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 21.93 110.212 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -117.15 116.52 27.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.325 -0.398 . . . . 12.33 111.067 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.3 pt -110.77 153.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.983 0.42 . . . . 17.08 110.829 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 138.29 36.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.879 -0.6 . . . . 16.3 110.074 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 tp -138.55 137.74 37.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.862 0.363 . . . . 15.88 110.831 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -110.15 107.98 17.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 28.9 110.469 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' B' ' 1' ' ' MET . 1.6 m -140.24 165.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.685 -0.689 . . . . 12.05 109.896 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.6 mm-40 -103.86 157.08 34.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 18.17 109.398 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.19 -25.63 72.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.281 1.988 . . . . 8.16 111.977 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.42 -2.35 45.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.577 -0.738 . . . . 11.13 111.479 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 5.1 m-20 -83.74 139.7 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.469 . . . . 18.03 109.735 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 35.8 p -87.1 158.77 19.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.22 110.863 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -55.84 -37.04 45.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.189 0.519 . . . . 12.3 110.452 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.5 -45.02 89.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.495 -0.775 . . . . 36.51 110.797 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -70.27 -34.08 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.011 -0.54 . . . . 25.66 110.574 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 72.3 t -61.39 -43.99 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 8.12 109.95 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.4 -33.72 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.74 . . . . 15.47 111.038 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.8 97.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 11.45 110.85 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.8 -35.49 77.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 24.98 110.278 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.01 -41.15 84.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 9.46 109.943 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.87 -27.39 68.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 14.76 111.147 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.48 -42.73 74.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.178 -0.465 . . . . 26.29 112.025 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -95.49 -38.51 10.42 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.147 0.795 . . . . 30.06 113.147 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.73 -28.22 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.093 0.405 . . . . 25.19 112.093 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.38 7.02 88.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.387 -0.911 . . . . 7.41 112.566 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.49 120.41 75.42 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 122.975 -0.132 . . . . 9.49 110.742 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 41.0 Cg_exo -58.38 133.37 54.42 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.871 2.38 . . . . 11.42 112.088 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.4 Cg_exo -52.71 -27.41 33.62 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.473 2.782 . . . . 12.0 113.608 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.91 -35.59 81.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 35.55 110.844 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -89.34 5.11 46.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 20.52 110.612 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -100.06 141.36 32.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 7.13 110.731 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.0 ttp180 -155.57 112.86 3.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.582 -0.896 . . . . 36.39 108.582 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.76 133.37 36.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.343 0.592 . . . . 9.55 112.011 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' B' ' 49' ' ' GLN . 30.3 mm -118.78 129.32 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.18 -0.918 . . . . 13.9 109.263 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -153.68 147.76 25.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.571 0.224 . . . . 6.86 110.886 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 14.87 5.68 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.767 -0.651 . . . . 11.15 112.202 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.56 18.72 59.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.906 -0.664 . . . . 13.93 112.361 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.73 160.96 38.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.555 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.418 ' HA ' HD13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -84.77 133.3 34.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 23.23 110.174 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' B' ' 59' ' ' TYR . 11.7 mt -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.438 -0.346 . . . . 9.11 110.474 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.546 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.3 tt0 -69.35 137.71 53.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.748 -0.464 . . . . 33.44 109.748 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.3 m-20 -58.37 -31.0 67.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.185 0.809 . . . . 28.37 113.185 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.21 24.7 20.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.355 -0.926 . . . . 15.0 113.334 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 7.8 mmt180 -115.94 162.56 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.864 0.364 . . . . 25.5 110.569 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.1 OUTLIER -93.58 163.35 13.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 11.95 110.086 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.03 -36.51 83.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.096 0.474 . . . . 10.17 110.63 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -19.06 63.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.05 -0.523 . . . . 13.59 111.656 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.7 m-20 -65.33 -18.67 65.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.834 0.35 . . . . 11.7 111.386 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.442 ' CG ' HD22 ' B' ' 50' ' ' LEU . 91.5 m-85 -122.18 16.23 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.384 -0.371 . . . . 12.95 110.775 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 60.25 32.31 20.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.744 -0.662 . . . . 25.45 111.561 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.3 124.55 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 14.6 109.941 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -124.22 -170.2 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.253 -0.431 . . . . 33.23 110.843 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 ptmt -68.03 152.91 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 25.97 111.367 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.78 3.5 3.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.531 -0.759 . . . . 32.61 112.295 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 27.3 m -79.19 126.98 31.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 10.56 110.087 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -92.23 105.7 17.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.868 -0.605 . . . . 5.33 111.139 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -80.65 141.63 34.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 11.66 109.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.406 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 54.0 m170 -92.67 114.82 27.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.548 -0.296 . . . . 16.3 110.41 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.499 HD23 HG23 ' B' ' 7' ' ' THR . 34.9 tp -93.54 98.23 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.268 0.556 . . . . 9.96 110.198 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 43.7 t . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 9.76 110.222 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.479 HG22 HD22 ' B' ' 8' ' ' LEU . 54.0 p . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.757 0.313 . . . . 13.75 111.703 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.63 146.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.031 0.443 . . . . 14.12 111.855 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -146.22 140.68 26.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 14.51 109.882 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -135.15 169.81 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.543 -0.299 . . . . 16.01 110.817 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.448 0 N-CA-C 110.948 -0.861 . . . . 16.67 110.948 179.756 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 . . . . . 0 C--O 1.237 0.409 0 CA-C-O 120.909 0.385 . . . . 40.81 111.666 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -120.18 153.87 35.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 18.23 110.428 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.6 m -100.83 130.44 46.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.062 -0.517 . . . . 26.25 110.523 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.55 124.38 6.1 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.124 -0.79 . . . . 14.96 111.124 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttp -112.89 128.17 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.194 0.497 . . . . 21.59 110.473 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.9 mt -125.63 124.56 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.104 -0.498 . . . . 12.92 110.599 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 pt -90.92 123.45 43.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.332 -0.618 . . . . 12.18 109.332 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.65 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.18 133.74 45.35 Favored Glycine 0 N--CA 1.449 -0.453 0 O-C-N 123.45 0.469 . . . . 13.21 112.984 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 42.6 Cg_endo -67.86 151.45 78.33 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.761 2.307 . . . . 14.44 112.268 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 21.4 Cg_exo -65.49 158.47 52.75 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.641 2.227 . . . . 17.43 113.134 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 60.55 27.8 17.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.258 -0.883 . . . . 32.61 112.514 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 59' ' ' PRO . 27.1 p -130.61 -179.17 5.13 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 110.118 -0.327 . . . . 17.94 110.118 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -81.32 -3.23 51.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 18.91 109.883 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.65 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 25.3 m-85 -108.39 -0.75 20.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 16.86 109.643 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.06 129.87 35.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.482 -0.781 . . . . 37.17 112.029 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 67.1 15.1 10.02 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.203 -0.908 . . . . 30.81 112.184 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.76 129.51 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 25.62 110.58 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.8 mt -102.0 113.58 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.963 -0.562 . . . . 19.36 109.552 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.6 m-85 -105.36 142.18 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 12.92 111.831 -178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.35 130.85 54.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.516 -0.765 . . . . 13.09 110.412 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.514 HD21 ' CZ ' ' A' ' 87' ' ' PHE . 6.0 mp -125.34 161.46 26.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 13.47 110.899 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.27 123.02 39.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 33.44 109.493 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.3 122.14 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.153 -0.476 . . . . 19.18 110.42 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.57 107.03 17.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.441 . . . . 42.22 111.117 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.0 m -83.47 103.22 12.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.748 -0.66 . . . . 25.59 109.577 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.54 174.61 17.96 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.9 -0.591 . . . . 26.42 113.087 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.42 -21.79 71.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.852 2.368 . . . . 31.44 112.291 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -91.53 2.81 56.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.568 -0.287 . . . . 44.64 111.551 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 87.6 t80 -58.74 136.44 86.72 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.891 -0.411 . . . . 29.6 109.891 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -99.3 21.27 23.02 Favored 'Cis proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.592 0.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.11 -33.3 71.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.147 0.499 . . . . 36.76 110.306 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.19 27.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 30.58 110.448 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.56 123.65 12.4 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.681 2.254 . . . . 28.58 112.385 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.33 152.2 71.51 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.899 2.399 . . . . 20.75 112.234 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 128.27 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 29.16 110.13 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.581 HG21 HG11 ' A' ' 123' ' ' VAL . 17.1 t -125.67 134.31 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 20.48 111.14 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -145.81 146.66 31.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 41.41 110.772 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 26.1 m-85 -88.92 138.97 30.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 16.6 110.111 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.9 t -93.64 -44.16 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.533 . . . . 18.03 109.654 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.526 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -81.46 148.24 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.492 -0.776 . . . . 15.79 110.249 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 84.4 mttt -66.46 121.71 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 35.04 111.517 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.723 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.2 tt -145.45 130.6 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 14.88 110.978 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.87 92.7 6.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.34 -0.615 . . . . 14.21 109.34 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.3 ttt -130.03 142.3 50.64 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.264 -0.88 . . . . 15.6 109.591 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.92 115.01 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 27.45 111.013 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.59 -10.68 30.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.982 -0.628 . . . . 23.3 111.985 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.51 126.51 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.286 -0.264 . . . . 22.53 110.286 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.35 133.52 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 26.32 110.31 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -82.75 -1.55 51.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.046 0.758 . . . . 22.69 113.046 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 m -113.13 -55.28 2.54 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.764 -0.374 . . . . 31.16 111.576 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 p -92.16 -25.27 18.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.414 -0.357 . . . . 30.09 111.38 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.83 8.81 75.62 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.554 -0.831 . . . . 25.64 111.788 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.6 mtp -68.9 133.78 48.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.825 0.345 . . . . 38.85 110.869 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.6 t -89.09 134.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.125 -0.488 . . . . 25.28 110.377 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.427 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 5.2 t0 -79.24 127.35 31.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 34.12 110.085 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.111 0.782 . . . . 29.16 113.111 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 32.8 ptt-85 -77.05 -9.62 58.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.383 -0.527 . . . . 52.63 111.663 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 m -85.7 -24.88 26.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 34.05 109.95 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.28 122.46 48.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 26.63 110.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 -48.55 20.91 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.971 2.447 . . . . 26.05 113.615 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 126' ' ' GLU . 23.1 m -69.0 -18.44 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.381 0.511 . . . . 25.84 112.381 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.39 -42.81 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.922 -0.399 . . . . 23.97 109.922 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -65.28 -42.81 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.454 -0.573 . . . . 28.65 109.454 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 62.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.94 -1.133 . . . . 39.1 107.94 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -74.71 133.69 42.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.132 -0.94 . . . . 29.08 111.814 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -118.54 149.0 42.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.916 -1.038 . . . . 45.36 108.204 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.82 -2.1 11.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 37.64 111.619 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.18 6.5 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 26.71 110.306 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -104.2 171.69 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 23.06 110.08 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 p -158.1 -173.24 4.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.463 -0.335 . . . . 17.53 110.459 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 30.5 mt -55.75 -41.33 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.319 0.581 . . . . 14.03 110.239 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 27.4 ttpt -57.33 -48.04 80.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.076 -0.965 . . . . 24.78 111.089 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.27 -41.99 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 17.36 110.976 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 85' ' ' VAL . 77.6 t -61.18 -47.75 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 14.42 110.808 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 120' ' ' ILE . 87.9 mt -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 11.53 111.196 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 22.8 mt-30 -65.6 -38.23 88.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.365 . . . . 16.85 110.714 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 110' ' ' VAL . 5.2 tp10 -66.25 -46.4 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 30.3 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 131' ' ' MET . 66.5 mt -56.98 -43.2 81.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 14.04 110.843 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 128' ' ' ARG . 26.8 ttt180 -67.99 -34.8 77.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 10.15 110.936 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.34 -41.64 96.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.079 0.466 . . . . 27.05 109.926 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.2 -15.47 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 17.72 110.965 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 61.2 mtt -79.76 -22.91 42.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.058 0.456 . . . . 18.11 109.94 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 77.7 mtm -86.94 -6.48 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 22.93 110.086 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.1 m -72.21 142.43 49.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.617 -0.719 . . . . 25.92 110.283 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.08 -30.76 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.531 0.567 . . . . 29.78 112.531 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -75.18 -5.02 42.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.439 0.533 . . . . 28.22 112.439 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.409 ' HA ' ' HG ' ' A' ' 139' ' ' LEU . 73.6 m-20 -130.13 -42.48 1.22 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.022 0.378 . . . . 18.41 112.022 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.9 ptm -54.66 -26.68 34.76 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.203 0.816 . . . . 20.97 113.203 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -112.1 28.91 8.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.136 0.421 . . . . 35.29 112.136 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 136' ' ' ASN . 30.8 mt -91.99 133.82 29.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.02 -0.272 . . . . 15.71 110.324 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.51 124.73 16.96 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.701 2.267 . . . . 19.11 111.209 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -102.26 146.11 31.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.267 0.469 . . . . 20.51 112.267 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.55 170.7 19.42 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.188 2.592 . . . . 26.0 111.558 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.31 116.98 2.55 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.691 2.26 . . . . 30.09 112.763 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.39 135.34 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 46.96 110.832 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 107.35 -22.06 29.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.663 -0.78 . . . . 36.35 111.957 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -76.74 144.23 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.383 . . . . 36.19 110.605 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 161.67 19.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.006 -0.543 . . . . 36.38 110.105 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 48.5 m-85 -76.17 -23.07 54.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 44.37 110.028 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.29 134.51 34.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 53.87 109.538 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.249 -0.881 . . . . 55.71 110.536 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.742 0.306 . . . . 17.17 110.243 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.34 124.57 41.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.094 -0.503 . . . . 21.89 110.421 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -123.69 170.12 14.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.85 -0.426 . . . . 10.83 109.85 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.7 m-85 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.931 0.396 . . . . 10.61 110.945 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.42 109.5 28.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.13 -0.693 . . . . 9.13 109.13 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -105.53 126.41 52.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.082 0.468 . . . . 20.55 111.006 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -87.15 173.59 9.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.805 -0.634 . . . . 11.78 109.744 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.544 HD11 HG13 ' B' ' 70' ' ' VAL . 38.0 mt -75.83 -5.5 46.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.253 0.549 . . . . 19.31 110.244 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -17.65 24.54 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.244 -0.889 . . . . 23.14 110.545 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.25 -23.82 15.37 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.822 -0.704 . . . . 19.74 112.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.95 110.92 1.01 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.942 0.401 . . . . 21.93 110.762 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -109.56 111.31 22.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.951 -0.568 . . . . 12.33 110.045 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 pt -104.02 156.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.994 -0.548 . . . . 17.08 110.878 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 145.96 24.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.074 -0.512 . . . . 16.3 109.793 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -140.65 141.71 35.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.758 0.313 . . . . 15.88 110.295 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -111.63 108.37 17.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.051 -0.522 . . . . 28.9 110.771 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' B' ' 1' ' ' MET . 2.8 m -145.66 166.2 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.652 -0.704 . . . . 12.05 109.648 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -104.18 154.64 38.08 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.254 -0.647 . . . . 18.17 109.254 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.4 Cg_exo -56.22 -28.38 70.87 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.48 2.12 . . . . 8.16 112.589 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -6.93 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 11.13 111.99 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -75.21 142.74 43.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.027 0.442 . . . . 18.03 111.239 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.26 153.3 31.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 10.22 111.4 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.26 -37.15 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 12.3 110.308 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.05 -39.49 90.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 36.51 110.036 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -68.31 -38.33 81.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.978 -0.556 . . . . 25.66 109.935 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.406 ' O ' HG13 ' B' ' 30' ' ' ILE . 71.9 t -59.48 -44.92 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 8.12 109.66 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.54 -40.1 93.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.736 -0.665 . . . . 15.47 110.601 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.41 89.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.775 -0.648 . . . . 11.45 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -68.57 -31.8 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 24.98 110.425 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' B' ' 26' ' ' VAL . 84.5 mt -71.12 -40.93 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 9.46 109.808 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.2 -29.07 70.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 14.76 110.806 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.16 -30.86 66.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 26.29 112.228 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -103.35 -41.96 5.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 30.06 112.575 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -87.86 -36.36 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.857 0.317 . . . . 25.19 111.857 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.42 35.49 10.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.366 -0.921 . . . . 7.41 112.142 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.54 121.32 42.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.014 -0.365 . . . . 9.49 110.014 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -55.27 132.22 50.93 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.808 2.339 . . . . 11.42 112.43 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.1 Cg_exo -54.72 -28.48 57.16 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.128 2.552 . . . . 12.0 112.151 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.72 -35.76 75.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.587 . . . . 35.55 111.43 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -94.69 0.26 54.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 20.52 110.795 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -89.87 130.45 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.971 -0.558 . . . . 7.13 110.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.587 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 29.6 ttp180 -144.23 112.53 6.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.877 -0.786 . . . . 36.39 108.877 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.89 133.54 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 9.55 111.985 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -114.95 134.53 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.332 -0.849 . . . . 13.9 109.692 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.711 ' HB3' HD21 ' B' ' 50' ' ' LEU . 57.1 t80 -155.95 142.18 18.35 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.697 -0.229 . . . . 6.86 110.632 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.93 29.33 16.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.935 0.494 . . . . 11.15 112.107 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.7 37.22 67.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.842 -0.694 . . . . 13.93 112.393 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -157.77 165.88 34.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 0.0 110.236 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.85 135.33 34.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.23 -0.441 . . . . 23.23 110.512 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -80.64 129.35 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.375 -0.375 . . . . 9.11 110.76 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.25 133.97 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 33.44 110.144 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.33 -36.28 68.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 28.37 112.363 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.2 -7.94 88.06 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.775 -0.726 . . . . 15.0 113.52 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.81 172.02 8.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.219 0.51 . . . . 25.5 111.14 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 27.7 p -111.75 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 11.95 110.489 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 61' ' ' ILE . 99.1 mt -65.77 -38.85 90.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 10.17 110.821 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.3 m -67.7 -16.21 64.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 13.59 111.561 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 55' ' ' THR . 16.3 m-20 -73.14 -16.87 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 11.7 111.114 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.31 17.35 9.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.521 -0.309 . . . . 12.95 110.912 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.16 35.99 21.07 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.903 -0.59 . . . . 25.45 110.861 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.406 HG12 ' CE2' ' B' ' 45' ' ' PHE . 64.4 mt -83.07 115.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.439 . . . . 14.6 110.364 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -99.12 -163.4 1.03 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.058 -0.519 . . . . 33.23 109.923 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.5 159.74 25.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.164 -0.31 . . . . 25.97 110.164 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.98 18.6 10.04 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.543 0.527 . . . . 32.61 111.703 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -77.51 147.65 35.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 10.56 109.329 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.7 m -112.75 99.88 8.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.239 0.543 . . . . 5.33 111.17 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 24.4 mt -78.4 141.61 38.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.47 -0.786 . . . . 11.66 109.295 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -103.68 118.65 37.22 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.984 -0.287 . . . . 16.3 110.284 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 tp -91.73 106.45 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.051 -0.522 . . . . 9.96 110.871 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 57.4 t . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 115.613 -0.721 . . . . 9.76 109.467 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.4 HG22 HD22 ' B' ' 8' ' ' LEU . 32.2 p . . . . . 0 C--O 1.233 0.205 0 CA-C-O 120.808 0.337 . . . . 13.75 111.357 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.88 126.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 14.12 112.173 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -137.7 132.26 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 14.51 109.264 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -152.38 170.81 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 16.01 110.719 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.59 0 CA-C-N 115.819 -0.628 . . . . 16.67 111.616 179.769 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.2 mtm-85 . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.932 0.396 . . . . 40.81 110.751 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -121.82 155.13 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 18.23 111.856 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.7 m -116.66 108.57 16.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.362 -0.835 . . . . 26.25 109.391 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.41 131.1 10.49 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.703 -0.761 . . . . 14.96 111.391 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttp -118.19 123.04 44.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.197 0.499 . . . . 21.59 110.541 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.7 mt -112.87 118.15 57.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.064 -0.517 . . . . 12.92 110.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.08 123.54 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.103 -0.498 . . . . 12.18 109.694 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -64.51 130.97 37.78 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.991 -0.623 . . . . 13.21 112.388 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 53.4 Cg_endo -69.26 141.02 46.08 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.756 2.304 . . . . 14.44 112.151 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 25.8 Cg_exo -62.54 161.73 26.92 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.501 2.134 . . . . 17.43 112.256 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 69.17 22.51 6.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.62 -0.718 . . . . 32.61 111.972 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -137.05 179.59 6.29 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.89 -0.411 . . . . 17.94 109.89 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -74.44 -4.77 38.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 18.91 110.607 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.573 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 34.3 m-85 -113.69 9.92 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 16.86 110.663 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -51.84 121.79 7.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.883 0.697 . . . . 37.17 112.883 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 t30 72.53 -10.8 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.84 0.856 . . . . 30.81 113.048 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -66.43 143.71 56.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 25.62 112.014 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.7 mt -111.87 111.61 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 19.36 109.488 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 58.2 m-85 -105.05 123.41 47.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.069 0.461 . . . . 12.92 111.354 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.79 132.72 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 13.09 109.825 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.51 148.17 47.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.97 0.414 . . . . 13.47 111.202 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -114.52 112.86 23.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.754 -0.657 . . . . 33.44 109.408 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.31 127.07 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.396 -0.366 . . . . 19.18 110.743 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -119.68 117.69 28.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.042 -0.526 . . . . 42.22 110.619 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.8 m -102.75 112.85 25.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.96 -0.564 . . . . 25.59 109.992 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.21 -168.77 33.42 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.863 -0.684 . . . . 26.42 113.454 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.42 -12.25 29.37 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.826 3.017 . . . . 31.44 113.397 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -88.63 -5.46 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.026 0.441 . . . . 44.64 110.861 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 23.7 t80 -70.35 144.27 91.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 29.6 109.278 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 69.0 Cg_endo -96.44 16.33 35.57 Favored 'Cis proline' 0 C--N 1.348 0.536 0 C-N-CA 124.547 -1.022 . . . . 27.94 113.264 -0.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -70.08 -38.42 75.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 36.76 110.524 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.77 155.11 39.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.908 -0.587 . . . . 30.58 110.357 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -68.12 143.29 58.98 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.665 2.244 . . . . 28.58 112.161 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.55 177.51 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.654 2.236 . . . . 20.75 112.26 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -98.88 125.0 44.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.601 -0.518 . . . . 29.16 109.601 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.19 128.81 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.802 0.334 . . . . 20.48 111.371 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -142.58 144.99 33.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 41.41 110.134 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -87.7 145.85 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 16.6 111.029 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.09 -50.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.994 -0.743 . . . . 18.03 108.994 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 139.59 37.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.821 . . . . 15.79 109.923 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -63.54 126.58 27.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 35.04 111.261 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.498 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 11.2 tt -144.24 135.96 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 14.88 110.846 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.445 ' ND2' ' HD3' ' A' ' 142' ' ' PRO . 79.8 m-20 -99.92 84.36 2.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.187 -0.672 . . . . 14.21 109.187 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.1 ttt -127.18 142.69 51.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.692 -0.685 . . . . 15.6 110.699 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.02 113.24 2.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 27.45 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.59 -11.65 15.96 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.952 -0.642 . . . . 23.3 112.644 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.71 135.38 45.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 122.617 -0.343 . . . . 22.53 110.791 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.12 136.54 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 26.32 109.854 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.67 -12.15 60.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.047 0.758 . . . . 22.69 113.047 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -101.43 -60.83 1.46 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.806 -0.358 . . . . 31.16 111.608 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 p -80.44 -35.94 34.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.021 0.439 . . . . 30.09 111.387 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.63 6.97 67.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.682 -0.771 . . . . 25.64 111.906 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 ttp -74.83 146.53 41.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.582 0.23 . . . . 38.85 110.456 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.65 134.74 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.304 -0.407 . . . . 25.28 110.781 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.11 111.84 20.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.087 -0.506 . . . . 34.12 110.146 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.98 -35.37 71.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.916 -0.584 . . . . 29.16 112.297 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -23.27 67.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 52.63 111.666 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -99.36 3.76 46.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.644 -0.253 . . . . 34.05 111.674 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.4 mm -119.31 118.02 32.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.896 -0.409 . . . . 26.63 109.896 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.88 -51.27 8.56 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.678 2.918 . . . . 26.05 114.938 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.14 -18.81 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 113.052 0.76 . . . . 25.84 113.052 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.79 -37.35 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.664 -0.415 . . . . 23.97 110.544 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.8 60.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.653 -0.499 . . . . 28.65 109.653 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 59.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.501 -0.925 . . . . 39.1 108.501 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -70.15 136.13 49.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.238 -0.892 . . . . 29.08 111.91 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -123.82 151.83 42.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.51 -0.922 . . . . 45.36 108.51 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -65.96 -10.47 39.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 37.64 111.427 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.45 59.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.208 -0.451 . . . . 26.71 110.693 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.98 178.72 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 23.06 110.844 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 p -161.14 176.8 10.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 17.53 109.652 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.78 -36.57 77.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 109.083 -0.71 . . . . 14.03 109.083 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -55.49 -42.57 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 24.78 110.543 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.64 -42.06 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 17.36 110.715 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.68 -49.03 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 14.42 111.33 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.91 -42.82 98.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 11.53 111.382 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -68.82 -36.85 78.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 16.85 110.915 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -65.85 -45.74 81.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 30.3 110.257 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 131' ' ' MET . 92.1 mt -60.94 -42.54 98.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 14.04 110.63 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.52 -37.51 87.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.37 -0.377 . . . . 10.15 110.409 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -65.67 -40.09 92.03 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.873 -0.417 . . . . 27.05 109.873 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.5 -28.19 67.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 17.72 110.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 63.4 mtt -67.35 -28.81 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.247 0.546 . . . . 18.11 109.978 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.8 mtm -91.73 4.63 52.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 22.93 110.863 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 t -74.36 152.2 39.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.621 -0.511 . . . . 25.92 109.621 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -53.79 -34.3 58.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.962 0.727 . . . . 29.78 112.962 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -86.65 7.42 26.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.722 0.638 . . . . 28.22 112.722 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -134.11 -35.11 0.95 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.259 0.466 . . . . 18.41 112.259 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 14.2 ptm -63.9 -18.26 64.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.883 0.698 . . . . 20.97 112.883 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -121.98 40.27 3.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 35.29 111.391 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.02 133.55 20.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 15.71 110.694 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.27 115.61 2.62 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.781 2.321 . . . . 19.11 111.497 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -96.42 141.1 22.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 20.51 111.637 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 43.4 Cg_endo -67.76 165.7 26.83 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.942 2.428 . . . . 26.0 111.874 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -46.2 126.82 10.23 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.259 2.639 . . . . 30.09 112.787 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.61 130.03 42.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 46.96 111.03 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.6 -10.77 30.4 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.705 -0.759 . . . . 36.35 112.423 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -81.9 138.33 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.061 0.458 . . . . 36.19 111.189 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 p -114.15 158.38 21.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.718 -0.674 . . . . 36.38 110.259 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.81 -35.39 72.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 44.37 110.444 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -119.27 169.33 10.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.921 -0.77 . . . . 53.87 108.921 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 12.7 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.084 -0.96 . . . . 55.71 110.554 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.973 -0.38 . . . . 17.17 109.973 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -95.41 131.76 41.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.059 0.457 . . . . 21.89 111.571 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 pt -132.7 169.49 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.608 -0.724 . . . . 10.83 109.368 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.01 137.57 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.859 0.361 . . . . 10.61 110.554 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 40.4 t -113.01 114.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.505 . . . . 9.13 109.638 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -97.3 114.5 26.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.08 -0.509 . . . . 20.55 110.135 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.428 HG22 HD23 ' B' ' 69' ' ' LEU . 26.0 p -82.53 164.21 21.03 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.918 -0.583 . . . . 11.78 110.259 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.67 HD11 HG13 ' B' ' 70' ' ' VAL . 19.3 mt -69.46 -21.22 63.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.685 -0.487 . . . . 19.31 109.685 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -38.52 68.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.368 -0.833 . . . . 23.14 110.296 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.06 -18.92 5.83 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.661 -0.78 . . . . 19.74 112.888 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -68.87 110.5 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 21.93 110.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.25 105.95 17.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 12.33 109.525 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.414 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 22.9 pt -95.66 162.33 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.047 0.451 . . . . 17.08 111.446 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -105.37 146.27 29.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.797 -0.638 . . . . 16.3 109.523 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tp -145.13 148.92 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 15.88 110.928 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -114.62 109.8 18.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.878 -0.601 . . . . 28.9 109.89 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.622 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.8 m -133.89 162.27 39.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.15 -0.477 . . . . 12.05 110.845 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 20.9 mm-40 -104.87 155.0 38.22 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.102 -0.703 . . . . 18.17 109.102 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.78 -28.88 69.25 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.092 . . . . 8.16 112.926 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.97 3.34 51.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 11.13 111.825 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.1 t0 -75.26 142.71 43.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.975 0.417 . . . . 18.03 110.428 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' B' ' 26' ' ' VAL . 17.4 p -89.26 153.61 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 10.22 110.371 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.6 mm -59.92 -32.19 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 12.3 111.0 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.52 -43.87 97.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.886 0.374 . . . . 36.51 110.275 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -67.75 -34.86 77.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 25.66 109.696 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 22' ' ' THR . 89.2 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.835 -0.62 . . . . 8.12 109.513 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.75 -39.03 90.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 15.47 110.418 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 11.45 110.7 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.14 -39.12 93.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 24.98 110.209 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.25 -38.44 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.811 -0.632 . . . . 9.46 110.009 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -69.04 -23.64 64.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 14.76 110.939 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.298 -0.41 . . . . 26.29 111.556 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -96.63 -41.17 8.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.871 0.693 . . . . 30.06 112.871 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -89.63 -39.21 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.156 -0.34 . . . . 25.19 111.517 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.92 5.71 57.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.522 -0.847 . . . . 7.41 112.545 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.02 119.27 76.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.522 -0.177 . . . . 9.49 110.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 28.4 Cg_exo -62.66 131.45 33.51 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.442 2.094 . . . . 11.42 111.683 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 70.4 Cg_exo -52.77 -28.05 36.65 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.079 2.519 . . . . 12.0 113.256 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.8 -35.85 79.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.066 0.46 . . . . 35.55 110.777 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -95.03 8.05 44.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 20.52 110.471 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -101.25 112.05 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.699 -0.682 . . . . 7.13 111.052 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.423 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.2 ttp180 -123.75 96.73 5.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.733 -0.84 . . . . 36.39 108.733 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.491 ' HB3' HD12 ' B' ' 50' ' ' LEU . 42.4 mt -82.85 126.75 32.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 9.55 112.145 -178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.25 128.53 75.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.471 -0.786 . . . . 13.9 109.391 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.514 ' HB3' HD21 ' B' ' 50' ' ' LEU . 52.9 t80 -146.82 140.86 26.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.192 -0.299 . . . . 6.86 110.192 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 24.41 11.41 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.018 -0.537 . . . . 11.15 111.527 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.63 26.64 66.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.896 -0.669 . . . . 13.93 112.671 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -138.92 152.75 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.706 0.288 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 123.47 29.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 23.23 109.636 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' B' ' 45' ' ' PHE . 26.8 mt -78.77 105.82 10.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.226 -0.443 . . . . 9.11 110.559 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -70.63 135.34 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.587 -0.279 . . . . 33.44 110.316 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.7 m-20 -51.11 -46.94 62.02 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.658 0.614 . . . . 28.37 112.658 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.3 -9.83 81.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.002 -0.618 . . . . 15.0 113.971 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -87.03 161.59 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.374 0.587 . . . . 25.5 110.901 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 36.5 p -100.5 164.35 11.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 11.95 110.841 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.102 0.477 . . . . 10.17 110.641 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.9 m -78.8 -5.11 52.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.885 -0.598 . . . . 13.59 111.258 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -88.24 -13.71 40.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.733 0.301 . . . . 11.7 111.195 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.21 18.88 9.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 12.95 111.194 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.36 44.52 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.825 -0.625 . . . . 25.45 110.606 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' B' ' 45' ' ' PHE . 52.5 mt -92.2 126.0 44.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 14.6 109.629 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -117.32 -169.6 1.69 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.177 -0.465 . . . . 33.23 110.677 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -73.33 157.92 36.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.286 -0.415 . . . . 25.97 110.188 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 65.8 8.59 5.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.97 -0.559 . . . . 32.61 112.369 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -75.62 145.53 41.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.288 -0.264 . . . . 10.56 110.288 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -106.98 97.79 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.164 0.507 . . . . 5.33 110.734 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.5 138.49 41.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.826 -0.625 . . . . 11.66 109.617 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -95.72 115.15 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.262 -0.273 . . . . 16.3 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.428 HD23 HG22 ' B' ' 7' ' ' THR . 27.0 tp -94.44 105.64 17.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.101 0.477 . . . . 9.96 110.792 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.67 HG13 HD11 ' B' ' 8' ' ' LEU . 11.3 t . . . . . 0 C--N 1.321 -0.636 0 CA-C-N 115.708 -0.678 . . . . 9.76 109.775 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.201 -0.296 . . . . 51.18 110.201 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.8 mmtt -71.32 100.07 2.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.791 0.329 . . . . 52.33 110.125 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.551 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 41.9 t -55.44 -51.98 75.46 Favored Pre-proline 0 CA--C 1.537 0.444 0 CA-C-N 115.777 -0.647 . . . . 45.08 112.607 -179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 24.1 Cg_exo -64.55 -41.3 20.17 Favored 'Trans proline' 0 C--N 1.357 0.989 0 C-N-CA 121.869 1.713 . . . . 40.03 112.167 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' PRO . 53.2 ttt-85 -60.07 -51.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.352 -0.385 . . . . 35.39 110.665 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -61.9 -46.69 88.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.01 -0.541 . . . . 39.28 111.218 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -61.64 -47.47 85.26 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.381 -0.372 . . . . 39.58 111.161 -179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.501 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 3.9 tpp85 -61.32 -47.85 84.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.043 -0.526 . . . . 38.87 111.332 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 83.4 mt -61.85 -36.03 80.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.295 -0.411 . . . . 22.45 111.301 -179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.7 mt -65.85 -34.89 79.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.017 0.437 . . . . 25.03 110.113 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -73.22 -41.92 63.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 36.37 110.61 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 28.3 mt-10 -66.58 -24.68 66.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.245 -0.434 . . . . 25.08 110.708 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.5 tp -61.24 -41.48 96.97 Favored 'General case' 0 C--N 1.333 -0.129 0 N-CA-C 109.431 -0.581 . . . . 28.37 109.431 178.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -65.17 -48.28 74.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.538 -0.755 . . . . 45.48 110.513 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -61.12 -31.33 71.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.82 -0.627 . . . . 35.52 110.835 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.45 34.96 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.047 -0.597 . . . . 31.25 112.17 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -65.29 -41.99 93.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.82 0.343 . . . . 42.74 110.697 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HD2' ' H ' ' B' ' 66' ' ' THR . 39.1 mmtm -82.27 -14.11 55.96 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.097 -0.501 . . . . 47.38 110.973 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 62.17 45.85 95.19 Favored Glycine 0 N--CA 1.453 -0.207 0 CA-C-N 116.175 -0.466 . . . . 34.95 112.54 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.57 146.07 9.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.77 0.319 . . . . 28.2 110.947 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 -122.63 4.33 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.093 -0.575 . . . . 22.15 111.701 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.23 -43.08 92.61 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.139 0.495 . . . . 15.15 110.351 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.63 -37.44 3.45 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.677 -0.773 . . . . 12.29 112.353 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.2 OUTLIER -93.52 31.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.273 0.558 . . . . 13.75 111.333 -179.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.4 m -142.53 147.73 20.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.736 -0.666 . . . . 14.12 110.143 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.3 m -155.4 150.86 27.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.837 -0.431 . . . . 14.51 109.837 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.449 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 15.3 p90 -157.0 173.54 16.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.33 -0.248 . . . . 16.01 110.33 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 169.16 -178.34 42.41 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.687 -0.768 . . . . 16.67 111.798 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 23.0 mt -64.38 129.01 38.24 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.776 -0.453 . . . . 25.73 109.776 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -76.34 -50.8 13.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.79 0.329 . . . . 44.86 111.26 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.48 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 19.6 t70 -79.08 -31.89 44.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.01 -0.541 . . . . 55.38 110.75 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.48 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 10.8 t70 74.94 -48.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.587 0.755 . . . . 59.05 111.455 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -68.86 -29.28 67.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.101 0.476 . . . . 62.12 110.338 179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -75.16 96.65 3.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.692 -0.685 . . . . 57.57 109.768 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 mtt -86.55 12.73 9.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.798 0.666 . . . . 49.86 112.798 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.1 p -77.76 -14.82 59.48 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.395 -0.595 . . . . 34.17 109.395 178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 mt 61.28 36.45 17.74 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 114.699 -1.137 . . . . 26.52 111.618 178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.9 m -110.88 1.91 17.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.161 0.505 . . . . 22.44 111.039 179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 65.3 mtm180 -130.78 91.81 3.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.241 0.543 . . . . 40.81 110.219 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.7 m95 -107.16 147.95 29.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.631 -0.713 . . . . 18.23 111.252 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.44 138.21 52.0 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 108.785 -0.82 . . . . 26.25 108.785 178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -121.81 145.68 16.86 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.627 -0.797 . . . . 14.96 111.693 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 9.8 ttp -130.89 124.13 30.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.892 0.377 . . . . 21.59 110.772 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 80.2 mt -116.52 120.77 65.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 12.92 110.069 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -85.8 107.68 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.313 -0.625 . . . . 12.18 109.313 179.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.522 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.35 129.87 19.78 Favored Glycine 0 CA--C 1.522 0.483 0 CA-C-N 115.359 -0.837 . . . . 13.21 114.205 -178.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.439 ' HD3' ' HA2' ' A' ' 57' ' ' GLY . 13.7 Cg_exo -69.26 133.54 26.74 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.001 2.468 . . . . 14.44 112.442 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 35.5 Cg_exo -61.44 161.57 23.49 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.68 2.253 . . . . 17.43 112.377 179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 71.24 10.08 6.68 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.495 0.718 . . . . 32.61 112.461 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -124.31 -177.5 3.81 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.702 -0.481 . . . . 17.94 109.702 179.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -77.18 -6.27 52.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.283 0.563 . . . . 18.91 110.215 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.522 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 31.0 m-85 -107.49 13.62 26.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.704 -0.68 . . . . 16.86 109.541 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -57.45 123.81 16.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.769 -0.65 . . . . 37.17 112.349 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 60.7 t30 59.58 29.67 19.25 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.535 -0.757 . . . . 30.81 111.547 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.412 ' HD3' ' OH ' ' A' ' 68' ' ' TYR . 25.3 mtt180 -109.35 110.41 21.56 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.866 0.365 . . . . 25.62 110.303 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.7 mt -84.98 100.74 8.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.172 0.51 . . . . 19.36 110.064 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.451 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 54.5 m-85 -90.72 138.97 31.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 12.92 111.02 -179.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.4 m -111.89 139.22 47.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.812 -0.631 . . . . 13.09 110.321 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.75 162.25 27.84 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.115 -0.493 . . . . 13.47 110.974 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -122.58 125.19 45.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.533 -0.758 . . . . 33.44 109.081 178.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.0 t -119.94 130.29 74.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.094 0.473 . . . . 19.18 111.371 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -122.56 109.01 13.78 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.817 -0.629 . . . . 42.22 109.792 179.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 13.0 m -86.23 117.74 25.23 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.951 -0.568 . . . . 25.59 110.271 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.39 -178.9 40.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.156 -0.545 . . . . 26.42 113.013 -179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.413 ' HA ' ' HD2' ' A' ' 16' ' ' ARG . 19.9 Cg_exo -67.29 -19.33 50.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 123.097 2.532 . . . . 31.44 112.391 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -87.96 -0.5 57.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.171 -0.468 . . . . 44.64 111.619 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 38.3 t80 -67.09 141.26 96.32 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.68 -0.489 . . . . 29.6 109.68 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.504 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 65.3 Cg_endo -96.19 15.51 37.31 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 124.369 -1.096 . . . . 27.94 113.729 0.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -66.89 -35.88 81.03 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.96 0.41 . . . . 36.76 110.55 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.67 151.98 42.59 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.747 -0.66 . . . . 30.58 110.577 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HG3' ' CB ' ' A' ' 114' ' ' TRP . 13.7 Cg_exo -66.98 133.41 31.02 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.77 2.313 . . . . 28.58 112.125 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -77.58 171.08 18.12 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.582 2.188 . . . . 20.75 112.01 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.1 m -90.56 117.23 29.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.179 -0.304 . . . . 29.16 110.179 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.421 HG21 HG11 ' A' ' 123' ' ' VAL . 23.5 t -120.53 134.19 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.409 -0.36 . . . . 20.48 110.807 -179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -149.08 151.28 34.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.437 -0.347 . . . . 41.41 110.551 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -88.11 145.3 26.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 16.6 110.446 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 3.7 t -99.52 -43.12 11.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.202 -0.666 . . . . 18.03 109.202 178.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -84.04 143.88 29.46 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.348 -0.842 . . . . 15.79 109.915 179.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 70.0 mttt -62.76 125.01 22.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.004 0.43 . . . . 35.04 111.329 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.451 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 13.0 tt -144.71 138.16 22.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.684 -0.689 . . . . 14.88 110.751 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -102.11 94.96 6.03 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.849 -0.797 . . . . 14.21 108.849 178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 21.6 ttt -140.75 140.33 34.8 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.344 -0.844 . . . . 15.6 109.351 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -59.23 124.74 20.99 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.89 0.376 . . . . 27.45 110.906 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.77 -10.78 52.88 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.966 -0.635 . . . . 23.3 112.147 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.9 mp -103.43 127.26 57.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.227 -0.286 . . . . 22.53 110.227 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -66.75 141.72 57.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.04 -0.527 . . . . 26.32 109.932 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 p-10 -84.52 -12.61 53.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.274 0.842 . . . . 22.69 113.274 -177.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.2 m -106.91 -44.13 4.49 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.106 0.41 . . . . 31.16 112.106 -178.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.4 p -99.48 -26.82 13.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.84 0.353 . . . . 30.09 111.514 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 83.83 5.26 88.14 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.474 -0.87 . . . . 25.64 111.769 -179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 86.1 mtp -66.75 135.4 53.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.696 0.284 . . . . 38.85 110.87 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 t -87.64 139.16 17.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.99 -0.55 . . . . 25.28 109.944 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.518 ' OD2' ' HG2' ' A' ' 106' ' ' ARG . 24.9 t70 -87.74 139.63 30.33 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.889 0.376 . . . . 34.12 110.923 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.38 -52.02 25.49 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.987 0.736 . . . . 29.16 112.987 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HG2' ' OD2' ' A' ' 104' ' ' ASP . 26.9 ptt-85 -68.05 -9.04 42.85 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.504 0.557 . . . . 52.63 112.504 -178.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 70.4 m -87.96 -32.76 18.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.757 0.313 . . . . 34.05 110.701 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.404 HG22 HG22 ' A' ' 110' ' ' VAL . 21.0 mm -99.59 121.63 54.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.285 -0.416 . . . . 26.63 110.267 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -46.49 -48.78 12.97 Favored 'Trans proline' 0 CA--C 1.533 0.439 0 C-N-CA 123.637 2.891 . . . . 26.05 114.297 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.404 HG22 HG22 ' A' ' 108' ' ' ILE . 34.6 m -68.68 -23.99 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 N-CA-C 112.681 0.623 . . . . 25.84 112.681 -178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.1 mt -87.65 -38.01 16.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.093 0.473 . . . . 23.97 110.363 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.44 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -67.83 -47.87 67.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.86 -0.609 . . . . 28.65 109.961 178.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 40.7 mttm -108.62 58.26 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.558 -0.746 . . . . 39.1 109.349 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.403 ' CB ' ' HG3' ' A' ' 82' ' ' PRO . 68.6 t-105 -68.42 145.34 54.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.335 -0.848 . . . . 29.08 111.593 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -134.38 149.38 50.81 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.187 -0.915 . . . . 45.36 108.752 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -65.63 -11.99 49.36 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.779 0.288 . . . . 37.64 111.779 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.75 -7.47 59.46 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 26.71 110.904 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -83.55 176.15 9.24 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.874 0.368 . . . . 23.06 110.906 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 7.4 p -155.36 176.19 12.9 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.796 -0.638 . . . . 17.53 109.807 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.38 -31.44 52.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 109.087 -0.708 . . . . 14.03 109.087 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.449 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 36.3 ttpt -56.17 -51.71 67.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.673 -1.149 . . . . 24.78 110.617 179.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.67 -38.07 79.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.676 -0.693 . . . . 17.36 111.273 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.421 HG11 HG21 ' A' ' 85' ' ' VAL . 94.6 t -61.14 -51.89 67.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.337 -0.392 . . . . 14.42 111.167 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.77 -41.83 98.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.28 -0.418 . . . . 11.53 110.867 -179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -64.45 -40.2 95.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 16.85 110.726 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 43.8 tp10 -65.59 -43.79 88.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 30.3 110.218 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 131' ' ' MET . 68.2 mt -59.49 -46.08 89.83 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.107 -0.497 . . . . 14.04 110.121 179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 59.0 ttt-85 -64.96 -34.37 78.26 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.123 0.487 . . . . 10.15 110.191 179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 59.1 ttp85 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.774 -0.648 . . . . 27.05 109.828 179.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 44.1 mt -70.82 -21.15 62.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.729 -0.669 . . . . 17.72 111.119 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.428 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 59.0 mtt -72.43 -26.11 61.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.293 0.568 . . . . 18.11 109.996 178.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 79.3 mtm -84.47 -8.12 59.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.743 -0.662 . . . . 22.93 110.568 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 29.6 m -69.71 146.3 51.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.237 -0.438 . . . . 25.92 110.424 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' HA ' ' HG2' ' A' ' 137' ' ' MET . 46.9 tptt -55.3 -36.21 65.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.864 -0.607 . . . . 29.78 112.583 -178.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -69.55 -15.07 63.16 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.27 0.841 . . . . 28.22 113.27 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -118.84 -36.91 3.34 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.332 0.493 . . . . 18.41 112.332 -178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.435 ' HG2' ' HA ' ' A' ' 134' ' ' LYS . 14.1 ptm -57.82 -21.9 44.72 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.21 0.818 . . . . 20.97 113.21 -178.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 58.5 mmtt -111.19 25.74 11.42 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.967 -0.293 . . . . 35.29 111.689 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 33.6 mt -92.94 123.0 62.53 Favored Pre-proline 0 C--N 1.324 -0.532 0 N-CA-C 110.109 -0.33 . . . . 15.71 110.109 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.66 119.87 7.4 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.783 2.322 . . . . 19.11 111.732 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -95.83 140.58 22.37 Favored Pre-proline 0 C--N 1.319 -0.746 0 CA-C-N 116.139 -0.482 . . . . 20.51 111.405 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.4 168.55 23.17 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.803 2.336 . . . . 26.0 111.297 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.98 121.72 2.42 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 123.169 2.579 . . . . 30.09 113.393 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -62.0 126.72 28.33 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.515 -0.766 . . . . 46.96 110.659 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 119.66 -21.13 9.21 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.763 -0.732 . . . . 36.35 112.051 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -72.29 133.95 45.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.025 0.44 . . . . 36.19 110.679 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -115.41 156.98 24.59 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.968 -0.56 . . . . 36.38 110.553 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 58.8 m-85 -75.52 -9.37 58.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.877 0.37 . . . . 44.37 110.821 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -149.88 146.51 27.13 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.024 -0.732 . . . . 53.87 109.024 178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.143 0 CA-C-O 117.988 -1.006 . . . . 55.71 110.038 -179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 22.8 ptt? . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.894 0.378 . . . . 17.17 110.41 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -96.08 124.52 40.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.879 -0.601 . . . . 21.89 110.316 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.2 pt -118.97 155.79 21.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 109.585 -0.524 . . . . 10.83 109.585 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -107.53 108.67 20.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.658 0.266 . . . . 10.61 110.647 -179.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.404 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 16.6 t -94.81 103.23 14.47 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.325 -0.62 . . . . 9.13 109.325 179.051 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -102.57 121.41 42.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.104 -0.498 . . . . 20.55 111.08 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.0 m -86.05 159.83 19.47 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.181 -0.674 . . . . 11.78 109.181 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.625 HD11 HG13 ' B' ' 70' ' ' VAL . 88.6 mt -60.2 -18.63 49.65 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.865 0.364 . . . . 19.31 111.346 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.58 -25.4 63.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.084 -0.507 . . . . 23.14 110.741 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.03 -36.87 3.06 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.948 -0.644 . . . . 19.74 112.798 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 tttt -57.06 133.72 55.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.207 0.527 . . . . 21.93 111.8 -179.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.5 m -119.63 117.18 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 12.33 109.701 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.404 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.6 pt -105.91 150.11 8.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.823 0.344 . . . . 17.08 110.74 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -97.07 130.65 44.34 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.965 -0.562 . . . . 16.3 110.129 179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -122.37 127.49 49.81 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.56 -0.291 . . . . 15.88 110.665 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -97.58 94.54 7.05 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.887 -0.597 . . . . 28.9 109.67 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' B' ' 1' ' ' MET . 12.8 m -133.91 169.55 21.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.431 -0.35 . . . . 12.05 111.075 -179.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -109.93 153.41 43.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.444 -0.576 . . . . 18.17 109.444 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.504 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 53.2 Cg_exo -53.99 -30.49 59.39 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.906 2.404 . . . . 8.16 113.572 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.61 -6.36 48.2 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.499 0.555 . . . . 11.13 112.499 -179.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -79.34 145.43 33.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.872 0.368 . . . . 18.03 110.487 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.16 151.36 22.23 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.011 -0.541 . . . . 10.22 110.976 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -60.15 -32.8 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.285 -0.416 . . . . 12.3 110.378 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -60.62 -33.34 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.86 -0.609 . . . . 36.51 110.155 179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -81.45 -37.25 28.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.963 -0.562 . . . . 25.66 109.546 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 52.9 t -57.69 -44.43 85.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.545 -0.752 . . . . 8.12 109.703 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' HB3' ' B' ' 38' ' ' PRO . 92.8 mttt -59.57 -42.91 93.54 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.84 -0.618 . . . . 15.47 110.751 179.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -37.29 85.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.757 -0.656 . . . . 11.45 111.066 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -68.16 -37.41 80.97 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.127 -0.488 . . . . 24.98 109.822 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.9 mt -68.57 -36.2 73.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 N-CA-C 109.105 -0.702 . . . . 9.46 109.105 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -66.65 -30.84 71.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.533 -0.758 . . . . 14.76 110.714 179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -75.55 -45.12 39.76 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.04 -0.527 . . . . 26.29 112.152 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -87.92 -36.78 16.93 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 113.12 0.785 . . . . 30.06 113.12 -178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -96.41 -38.73 9.92 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.977 0.362 . . . . 25.19 111.977 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.32 17.74 33.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.479 -0.867 . . . . 7.41 112.378 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.31 117.16 67.67 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 110.353 -0.24 . . . . 9.49 110.353 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.1 124.56 16.6 Favored 'Trans proline' 0 CA--C 1.532 0.377 0 C-N-CA 122.951 2.434 . . . . 11.42 112.513 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HB3' ' HB3' ' B' ' 27' ' ' LYS . 76.2 Cg_exo -54.04 -29.58 55.7 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 123.727 2.952 . . . . 12.0 113.275 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.493 ' OD2' ' HD3' ' B' ' 74' ' ' ARG . 21.8 t70 -59.19 -34.28 71.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.845 -0.616 . . . . 35.55 111.992 -179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -101.56 20.18 16.59 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.899 0.38 . . . . 20.52 111.387 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 61.6 mt-30 -101.66 126.51 48.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.988 0.423 . . . . 7.13 110.663 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -134.83 108.91 8.19 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.358 -0.608 . . . . 36.39 109.358 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 42.4 mt -86.97 135.59 33.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.151 0.501 . . . . 9.55 111.953 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 49.7 mm -120.56 130.85 74.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.157 -0.929 . . . . 13.9 109.331 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.445 ' HB3' HD21 ' B' ' 50' ' ' LEU . 75.5 t80 -152.64 143.69 23.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.677 -0.238 . . . . 6.86 110.746 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.13 26.01 11.58 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.842 -0.617 . . . . 11.15 112.271 179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 25.3 65.04 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.956 -0.64 . . . . 13.93 113.039 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -146.01 166.0 27.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.809 0.338 . . . . 0.0 110.659 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -90.75 139.89 30.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.558 . . . . 23.23 110.368 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.445 HD21 ' HB3' ' B' ' 45' ' ' PHE . 23.0 mt -97.27 159.54 14.86 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.347 -0.388 . . . . 9.11 110.103 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -99.32 -175.96 3.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.796 0.332 . . . . 33.44 111.015 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.26 -53.29 3.28 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.046 -0.525 . . . . 28.37 111.826 -179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.6 39.16 2.13 Favored Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.924 -0.58 . . . . 15.0 113.864 -178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.456 ' HB2' ' OH ' ' B' ' 59' ' ' TYR . 20.7 mmt180 -130.38 160.23 34.62 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.213 -0.662 . . . . 25.5 109.213 179.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 68.2 p -94.49 169.07 10.46 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.73 0.3 . . . . 11.95 110.844 -179.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 22.9 mt -67.38 -28.7 68.16 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.603 -0.518 . . . . 10.17 109.603 178.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.88 -21.6 62.38 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.725 -0.671 . . . . 13.59 110.749 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' B' ' 55' ' ' THR . 3.3 m-20 -64.38 -29.41 70.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.274 -0.421 . . . . 11.7 111.262 -179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.456 ' OH ' ' HB2' ' B' ' 54' ' ' ARG . 3.1 m-85 -109.39 7.92 25.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.413 -0.358 . . . . 12.95 110.293 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 60.21 45.92 10.97 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.837 -0.619 . . . . 25.45 110.822 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' B' ' 59' ' ' TYR . 69.9 mt -86.41 122.8 39.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.948 -0.39 . . . . 14.6 109.948 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.8 -165.58 1.19 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.085 -0.507 . . . . 33.23 110.468 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -79.79 163.23 24.6 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.985 -0.552 . . . . 25.97 110.741 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 55.51 28.43 11.73 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.693 -0.685 . . . . 32.61 111.771 179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 66.8 m -93.14 127.31 38.65 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.794 0.33 . . . . 10.56 110.356 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.408 ' H ' ' HD2' ' A' ' 29' ' ' LYS . 13.0 m -87.21 91.35 8.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.985 -0.552 . . . . 5.33 110.924 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 62.3 mt -76.66 153.81 34.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.709 -0.678 . . . . 11.66 109.278 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -110.07 119.49 39.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.01 0.433 . . . . 16.3 111.055 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 55.3 tp -96.03 103.56 15.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.627 -0.715 . . . . 9.96 109.691 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.625 HG13 HD11 ' B' ' 8' ' ' LEU . 57.3 t -97.18 117.35 41.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.648 -0.706 . . . . 9.76 109.789 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.75 121.05 13.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.783 -0.644 . . . . 19.57 111.135 -179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -93.2 90.9 7.02 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.009 -0.737 . . . . 35.08 109.009 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 6.9 mp -58.11 116.25 3.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.784 -0.643 . . . . 32.31 110.933 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.493 ' HD3' ' OD2' ' B' ' 39' ' ' ASP . 10.3 ttp180 -120.19 103.44 9.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.64 -0.709 . . . . 42.75 109.907 -179.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.62 95.11 1.32 Allowed Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.827 -0.702 . . . . 36.31 111.793 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.914 0 CA-C-O 119.002 -0.888 . . . . 36.27 111.783 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.195 -0.298 . . . . 51.18 110.195 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -72.47 104.84 3.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.538 -0.301 . . . . 52.33 110.199 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.545 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 53.1 t -59.91 -51.45 80.62 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.246 0.462 . . . . 45.08 112.246 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.545 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 35.3 Cg_exo -59.56 -43.12 41.64 Favored 'Trans proline' 0 C--N 1.354 0.852 0 C-N-CA 121.603 1.536 . . . . 40.03 112.087 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 75.7 ttt-85 -62.62 -47.26 84.52 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.324 -0.398 . . . . 35.39 110.299 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -60.95 -49.06 78.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.217 -0.447 . . . . 39.28 111.043 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 18.3 t80 -60.4 -46.37 90.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.167 -0.47 . . . . 39.58 110.556 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 1.5 tpp180 -58.93 -46.61 87.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.31 -0.405 . . . . 38.87 110.769 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 93.2 mt -61.6 -39.96 93.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 22.45 110.544 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.7 mt -64.35 -33.33 75.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.984 0.421 . . . . 25.03 109.984 178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.595 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 29.9 mt-10 -70.17 -48.43 57.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.764 -0.653 . . . . 36.37 109.849 178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 78.3 mm-40 -59.29 -28.55 66.87 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.927 -0.579 . . . . 25.08 110.426 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' O ' ' HG3' ' A' ' 28' ' ' GLN . 37.3 tp -62.03 -46.87 87.27 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.43 -0.582 . . . . 28.37 109.43 178.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -66.13 -40.42 90.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.606 -0.724 . . . . 45.48 109.613 179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.595 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 7.6 mm-40 -60.5 -38.83 85.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.801 -0.636 . . . . 35.52 109.872 179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.26 -35.83 88.71 Favored Glycine 0 N--CA 1.451 -0.313 0 CA-C-N 115.939 -0.573 . . . . 31.25 112.128 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 24' ' ' LEU . 48.7 mt-30 -75.0 -9.0 58.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.992 0.425 . . . . 42.74 110.63 179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' O ' ' HB ' ' B' ' 66' ' ' THR . 47.0 mtmt -111.37 -9.38 14.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 47.38 110.399 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 61.83 44.03 98.42 Favored Glycine 0 N--CA 1.451 -0.318 0 CA-C-N 115.899 -0.591 . . . . 34.95 112.332 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.7 t -62.8 137.94 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.776 0.322 . . . . 28.2 111.039 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 136.02 -143.8 15.38 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.525 -0.845 . . . . 22.15 112.577 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -33.43 74.04 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.27 0.228 . . . . 15.15 111.312 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 127.19 -14.17 6.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.746 -0.74 . . . . 12.29 112.982 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.2 p -106.7 -41.45 5.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.995 0.397 . . . . 13.75 111.608 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 6.2 m -60.42 143.44 14.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 14.12 112.243 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -149.18 147.15 28.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.683 -0.689 . . . . 14.51 109.486 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.422 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 41.9 p90 -153.52 171.23 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.661 0.267 . . . . 16.01 110.73 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -175.46 -172.43 40.32 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.122 -0.791 . . . . 16.67 111.122 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.1 mt -80.73 144.56 32.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 117.148 0.474 . . . . 25.73 110.297 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -77.42 -78.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.532 -0.304 . . . . 44.86 111.116 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 11.8 p-10 -77.14 -36.66 55.16 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.514 -0.312 . . . . 55.38 110.899 -179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 20.5 t70 66.98 7.58 5.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-O 121.746 0.784 . . . . 59.05 111.293 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.65 -40.51 8.15 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.148 -0.478 . . . . 62.12 110.976 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -75.66 119.9 20.33 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 57.57 109.991 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 36.9 mtt -72.56 -0.13 12.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.914 0.709 . . . . 49.86 112.914 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 p -78.43 -17.35 56.49 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.441 -0.504 . . . . 34.17 110.339 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB2' HD13 ' A' ' 20' ' ' LEU . 37.2 mt 53.12 45.37 28.83 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.33 -0.85 . . . . 26.52 111.58 179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.6 m -96.14 -28.33 14.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.164 -0.471 . . . . 22.44 111.566 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -91.7 109.7 21.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.875 0.369 . . . . 40.81 111.656 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.8 m95 -116.83 145.05 43.8 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.913 -0.585 . . . . 18.23 111.144 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m -108.95 120.5 42.7 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.569 -0.741 . . . . 26.25 110.224 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -107.95 139.4 15.06 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 110.777 -0.929 . . . . 14.96 110.777 179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.9 ttp -128.84 128.48 43.97 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 117.334 0.567 . . . . 21.59 110.658 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.4 mt -125.14 120.23 57.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.836 -0.62 . . . . 12.92 110.78 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -83.89 117.67 29.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.663 -0.866 . . . . 12.18 108.663 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.704 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.42 126.4 15.68 Favored Glycine 0 N--CA 1.449 -0.445 0 O-C-N 123.683 0.614 . . . . 13.21 113.394 -179.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 41.3 Cg_exo -56.99 136.0 74.13 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.141 2.561 . . . . 14.44 112.427 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ARG . 39.2 Cg_exo -58.19 159.58 18.47 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.757 2.304 . . . . 17.43 112.435 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 21.7 mmm180 73.88 -35.79 0.32 Allowed 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.624 0.769 . . . . 32.61 112.466 179.426 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.8 p -74.04 177.15 5.88 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.163 -0.31 . . . . 17.94 110.163 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -75.71 -4.36 39.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.099 0.476 . . . . 18.91 110.491 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.704 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 54.3 m-85 -98.97 3.15 46.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.799 -0.637 . . . . 16.86 110.305 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -52.36 128.81 26.61 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.558 0.577 . . . . 37.17 112.558 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 65.5 t30 62.67 22.82 13.57 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.27 -0.877 . . . . 30.81 111.839 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 36.2 mtt180 -103.47 108.63 19.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.962 -0.461 . . . . 25.62 110.236 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.9 mt -84.76 102.89 11.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-N 116.011 -0.541 . . . . 19.36 109.729 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.596 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 48.7 m-85 -95.58 139.38 31.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.876 -0.602 . . . . 12.92 111.778 -178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.9 m -107.16 137.96 44.24 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.437 -0.801 . . . . 13.09 109.79 179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -130.15 154.82 47.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.407 -0.36 . . . . 13.47 111.122 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.1 mttm -115.56 125.78 53.41 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.21 -0.663 . . . . 33.44 109.21 178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.26 124.21 72.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.353 -0.385 . . . . 19.18 110.512 -179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -115.42 103.84 11.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.004 -0.544 . . . . 42.22 110.3 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 24.6 m -83.98 110.68 18.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.765 -0.652 . . . . 25.59 110.331 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -74.53 -178.07 39.29 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.942 -0.647 . . . . 26.42 112.757 -179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.31 -14.59 28.33 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.915 2.41 . . . . 31.44 112.32 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -88.15 -1.27 57.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.185 -0.462 . . . . 44.64 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -68.54 140.39 92.25 Favored Pre-proline 0 C--N 1.328 -0.328 0 N-CA-C 109.535 -0.543 . . . . 29.6 109.535 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -97.69 21.47 26.16 Favored 'Cis proline' 0 N--CA 1.459 -0.532 0 C-N-CA 124.381 -1.091 . . . . 27.94 113.426 0.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -69.67 -37.27 76.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.225 0.536 . . . . 36.76 109.906 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.9 144.59 31.35 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.464 -0.789 . . . . 30.58 110.246 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -64.22 132.51 34.24 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.762 2.308 . . . . 28.58 112.663 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -73.45 160.88 43.69 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.768 2.312 . . . . 20.75 112.143 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.78 116.35 21.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.291 -0.413 . . . . 29.16 110.288 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.84 130.61 73.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.394 -0.366 . . . . 20.48 110.801 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -143.85 149.79 37.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.541 -0.3 . . . . 41.41 110.721 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -86.66 143.78 27.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.122 -0.49 . . . . 16.6 110.629 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 42.6 t -96.23 -50.23 11.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 121.187 0.517 . . . . 18.03 110.076 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.55 150.24 31.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.574 -0.739 . . . . 15.79 110.057 179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 77.1 mttt -67.03 123.32 19.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.964 0.411 . . . . 35.04 111.172 -179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.596 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.0 tt -145.02 135.4 19.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.474 -0.784 . . . . 14.88 110.496 -179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -101.57 97.13 7.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.358 -0.608 . . . . 14.21 109.358 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.8 ttt -139.14 139.63 37.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.528 -0.76 . . . . 15.6 109.767 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -56.93 110.62 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.297 0.373 . . . . 27.45 111.622 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.04 -11.21 20.37 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.707 -0.759 . . . . 23.3 112.652 179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.0 mp -103.45 126.32 57.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 110.228 -0.286 . . . . 22.53 110.228 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -63.46 138.16 58.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.243 -0.435 . . . . 26.32 110.379 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -86.77 -3.47 59.06 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.711 0.634 . . . . 22.69 112.711 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 m -112.65 -53.95 2.66 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 122.191 -0.318 . . . . 31.16 111.574 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 p -89.59 -29.98 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.965 0.412 . . . . 30.09 110.838 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 89.33 4.11 74.43 Favored Glycine 0 N--CA 1.453 -0.218 0 C-N-CA 120.877 -0.678 . . . . 25.64 111.803 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -67.01 145.44 55.4 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.76 0.314 . . . . 38.85 110.637 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.5 t -98.3 126.5 51.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.204 -0.453 . . . . 25.28 110.326 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.45 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 23.3 t0 -74.04 121.76 21.58 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.04 0.448 . . . . 34.12 110.445 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.92 -32.98 74.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.599 -0.728 . . . . 29.16 112.635 -178.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.45 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 25.2 ptt-85 -81.89 -1.61 48.37 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.448 -0.501 . . . . 52.63 111.584 -178.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 56.4 m -99.93 -15.29 18.38 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.282 0.563 . . . . 34.05 109.966 178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.4 mm -111.11 119.69 45.05 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 115.791 -0.641 . . . . 26.63 109.856 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -48.95 -49.8 14.27 Favored 'Trans proline' 0 CA--C 1.534 0.507 0 C-N-CA 123.398 2.732 . . . . 26.05 114.271 -178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.0 m -68.47 -16.21 20.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 N-CA-C 112.619 0.599 . . . . 25.84 112.619 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.9 mt -96.02 -40.62 9.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.711 0.291 . . . . 23.97 110.309 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -62.33 -48.95 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.299 0.571 . . . . 28.65 109.709 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -111.33 57.43 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.356 -0.838 . . . . 39.1 108.932 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 63.1 t-105 -61.54 143.23 56.33 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.321 -0.854 . . . . 29.08 111.465 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -129.05 147.24 50.9 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.733 -0.84 . . . . 45.36 108.733 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -66.55 -9.03 30.87 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.025 0.441 . . . . 37.64 111.385 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -6.6 59.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.097 -0.501 . . . . 26.71 111.131 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 17.0 m-30 -89.82 171.66 9.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.326 -0.397 . . . . 23.06 110.583 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 21.5 p -148.92 178.9 8.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.874 -0.603 . . . . 17.53 109.908 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 120' ' ' ILE . 22.1 mt -59.52 -40.27 81.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.502 0.667 . . . . 14.03 109.948 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.422 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 25.8 ttpt -58.37 -42.45 87.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.886 -1.052 . . . . 24.78 110.953 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 77.0 t -62.08 -41.81 92.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.335 -0.393 . . . . 17.36 110.745 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.492 ' O ' ' HG ' ' A' ' 127' ' ' LEU . 44.1 t -63.0 -46.81 95.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 14.42 110.583 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 87.6 mt -60.22 -43.13 96.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 11.53 110.739 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.55 -39.48 91.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 16.85 110.734 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.414 ' CD ' HH21 ' A' ' 129' ' ' ARG . 10.0 tp10 -63.13 -44.61 95.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.041 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 95.7 mt -60.12 -44.2 95.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 14.04 110.406 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 46.3 ttt-85 -66.12 -32.99 74.77 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.001 0.429 . . . . 10.15 110.276 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.414 HH21 ' CD ' ' A' ' 126' ' ' GLU . 69.1 ttp85 -68.15 -39.11 82.71 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.482 -0.562 . . . . 27.05 109.482 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 60.8 mt -73.23 -19.98 60.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.427 -0.806 . . . . 17.72 110.952 179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 53.5 mtt -71.38 -24.28 62.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.41 0.624 . . . . 18.11 109.677 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 47.7 mtm -90.52 3.44 53.97 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.52 -0.764 . . . . 22.93 110.507 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.94 144.2 52.45 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.738 -0.467 . . . . 25.92 109.738 179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.3 tptt -53.81 -39.14 65.25 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.162 0.431 . . . . 29.78 112.162 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -84.31 14.08 4.73 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.355 0.502 . . . . 28.22 112.355 -178.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 41.0 m-20 -135.06 -45.79 0.71 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.909 0.385 . . . . 18.41 111.594 -179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 23.9 ptm -54.56 -22.71 14.0 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.765 1.024 . . . . 20.97 113.765 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -113.02 13.58 19.47 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.008 0.373 . . . . 35.29 112.008 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 17.1 mt -75.19 129.4 82.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 C-N-CA 120.886 -0.325 . . . . 15.71 110.528 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.83 117.84 4.59 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.631 2.221 . . . . 19.11 111.174 178.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 47.8 mm-40 -89.54 152.38 47.15 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.199 -0.455 . . . . 20.51 111.579 -178.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.86 166.62 23.19 Favored 'Trans proline' 0 N--CA 1.461 -0.398 0 C-N-CA 122.917 2.411 . . . . 26.0 110.559 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -49.44 119.88 5.11 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.429 2.086 . . . . 30.09 112.277 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -59.78 134.62 57.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.974 -0.557 . . . . 46.96 110.677 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.03 -26.9 12.73 Favored Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 111.316 -0.714 . . . . 36.35 111.316 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -69.58 140.8 53.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.971 0.415 . . . . 36.19 110.62 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.16 162.69 18.92 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.201 -0.454 . . . . 36.38 109.907 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 43.6 m-85 -80.66 -13.46 59.0 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.371 0.605 . . . . 44.37 110.23 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 17.6 m-20 -137.09 143.27 42.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.454 -0.793 . . . . 53.87 109.754 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.194 -0.907 . . . . 55.71 110.716 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ptt? . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 110.18 -0.304 . . . . 17.17 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -98.69 128.63 45.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.294 0.569 . . . . 21.89 111.18 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.1 pt -124.21 165.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.794 -0.639 . . . . 10.83 109.479 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' B' ' 66' ' ' THR . 95.6 m-85 -117.38 118.07 31.22 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.779 0.323 . . . . 10.61 110.967 -179.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.424 ' HB ' HG13 ' B' ' 13' ' ' ILE . 12.1 t -99.42 108.13 21.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.731 -0.84 . . . . 9.13 108.731 178.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -110.94 129.58 55.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 20.55 111.304 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 80.5 p -84.2 167.47 16.65 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.442 -0.577 . . . . 11.78 109.442 178.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.682 HD11 HG13 ' B' ' 70' ' ' VAL . 20.5 mt -66.44 -26.84 67.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.101 0.477 . . . . 19.31 110.239 179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -32.08 68.81 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.515 -0.766 . . . . 23.14 110.949 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 130.65 -21.67 4.72 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.416 -0.897 . . . . 19.74 113.309 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 49.6 tttm -60.03 122.26 13.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.006 0.431 . . . . 21.93 110.765 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 m -116.37 129.28 56.16 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.815 -0.629 . . . . 12.33 110.427 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.424 HG13 ' HB ' ' B' ' 5' ' ' VAL . 31.8 pt -124.04 142.65 40.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 120.819 0.342 . . . . 17.08 110.603 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.38 140.78 29.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.267 -0.424 . . . . 16.3 110.344 179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.7 tp -136.41 137.56 40.62 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.878 0.37 . . . . 15.88 110.827 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.11 97.95 7.66 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.989 -0.55 . . . . 28.9 109.565 179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 5.8 m -131.23 171.63 17.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.505 . . . . 12.05 111.079 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -106.03 151.51 40.1 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.638 -0.71 . . . . 18.17 109.685 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -60.96 -19.77 64.26 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.444 2.096 . . . . 8.16 112.274 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -93.16 5.51 51.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.725 -0.67 . . . . 11.13 111.391 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -80.2 148.21 30.96 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.877 0.37 . . . . 18.03 110.108 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -84.72 153.89 22.79 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.877 -0.601 . . . . 10.22 110.775 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.6 mm -59.68 -34.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.957 0.408 . . . . 12.3 110.004 179.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -62.43 -40.25 95.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.993 -0.549 . . . . 36.51 110.354 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -66.34 -42.48 88.04 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.554 -0.536 . . . . 25.66 109.554 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -57.98 -45.12 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 8.12 110.152 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.97 -40.9 97.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.633 -0.712 . . . . 15.47 110.703 179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -37.89 86.54 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.053 -0.521 . . . . 11.45 110.791 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.6 mttt -66.74 -39.26 87.87 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.171 -0.468 . . . . 24.98 109.918 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.03 -38.37 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.967 -0.56 . . . . 9.46 109.845 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -68.62 -19.04 64.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.348 -0.387 . . . . 14.76 110.72 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -81.18 -41.62 22.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.471 -0.331 . . . . 26.29 111.53 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -95.06 -32.1 13.27 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.464 0.542 . . . . 30.06 112.464 -178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -100.76 -39.48 7.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.588 0.232 . . . . 25.19 111.572 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.19 18.98 44.05 Favored Glycine 0 N--CA 1.453 -0.207 0 C-N-CA 120.631 -0.795 . . . . 7.41 112.754 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.9 mt -89.53 117.99 68.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.68 -0.306 . . . . 9.49 110.335 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.78 124.17 15.56 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 122.763 2.309 . . . . 11.42 112.314 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -49.04 -30.9 19.3 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 123.812 3.008 . . . . 12.0 113.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -57.0 -40.93 77.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.06 -0.518 . . . . 35.55 112.244 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -92.59 2.62 56.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.657 0.265 . . . . 20.52 111.608 -178.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -83.61 97.69 9.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.818 0.342 . . . . 7.13 111.148 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.521 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 10.3 tpp180 -96.83 96.32 8.48 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.58 -0.896 . . . . 36.39 108.58 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.416 ' HB3' HD12 ' B' ' 50' ' ' LEU . 29.1 mt -89.07 127.5 35.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.025 -0.534 . . . . 9.55 112.205 -178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 mm -119.17 136.97 54.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 CA-C-N 115.264 -0.88 . . . . 13.9 109.614 178.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.597 ' CE2' HG12 ' B' ' 61' ' ' ILE . 88.5 t80 -152.59 137.38 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.613 0.244 . . . . 6.86 110.892 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.02 30.26 13.88 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.907 -0.588 . . . . 11.15 112.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.74 22.62 78.05 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.95 -0.643 . . . . 13.93 112.799 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -136.61 151.77 49.71 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.585 0.231 . . . . 0.0 110.441 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -84.91 131.46 34.5 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.107 -0.497 . . . . 23.23 109.713 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' B' ' 45' ' ' PHE . 39.7 mt -84.35 122.45 28.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.718 0.294 . . . . 9.11 111.756 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.521 ' HG2' ' H ' ' B' ' 53' ' ' GLY . 21.6 tt0 -78.33 138.41 38.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.978 -0.555 . . . . 33.44 109.724 178.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.3 -30.27 70.39 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.588 0.588 . . . . 28.37 112.588 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . 0.521 ' H ' ' HG2' ' B' ' 51' ' ' GLU . . . -93.06 13.18 68.29 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.838 -0.696 . . . . 15.0 113.325 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.436 ' HD3' ' OD2' ' B' ' 58' ' ' ASP . 3.2 mmp_? -103.96 168.99 8.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 117.085 0.443 . . . . 25.5 110.854 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 5.9 p -110.68 165.73 11.58 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.619 . . . . 11.95 110.115 179.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 46.7 mt -63.85 -33.26 75.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.7 0.286 . . . . 10.17 111.669 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.25 -24.49 63.99 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.683 -0.235 . . . . 13.59 111.6 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.436 ' OD2' ' HD3' ' B' ' 54' ' ' ARG . 58.5 m-20 -63.49 -32.22 73.61 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.106 0.479 . . . . 11.7 111.014 -179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.9 m-85 -105.74 9.12 33.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.128 -0.487 . . . . 12.95 111.333 -179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 59.09 48.3 10.82 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.37 0.605 . . . . 25.45 110.784 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.597 HG12 ' CE2' ' B' ' 45' ' ' PHE . 49.3 mt -85.82 119.4 34.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.016 -0.538 . . . . 14.6 110.113 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -97.82 -176.09 3.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.078 -0.51 . . . . 33.23 110.753 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 pttp -76.97 159.6 29.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.978 -0.556 . . . . 25.97 109.998 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 64.24 12.18 6.93 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.571 0.545 . . . . 32.61 111.974 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.7 m -76.77 150.18 36.23 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.676 -0.49 . . . . 10.56 109.676 179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.0 m -113.83 103.85 11.6 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.328 0.585 . . . . 5.33 111.092 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.8 mt -75.46 156.37 35.32 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.403 -0.817 . . . . 11.66 110.001 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -112.62 110.77 21.12 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.875 -0.417 . . . . 16.3 109.875 179.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 38.5 tp -92.14 104.78 17.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.997 -0.547 . . . . 9.96 110.575 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.682 HG13 HD11 ' B' ' 8' ' ' LEU . 40.7 t -86.82 120.53 36.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.417 -0.811 . . . . 9.76 109.457 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -82.4 102.66 11.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.969 -0.56 . . . . 19.57 110.698 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.473 HH21 ' HB2' ' B' ' 74' ' ' ARG . 13.3 ttp180 -91.34 136.29 33.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.132 -0.485 . . . . 35.08 109.984 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 5.9 mp -71.79 167.84 19.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 32.31 110.913 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.473 ' HB2' HH21 ' B' ' 72' ' ' ARG . 58.8 ttp180 -164.2 98.76 0.83 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.985 -0.552 . . . . 42.75 110.348 179.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.04 114.79 0.86 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.833 -0.699 . . . . 36.31 112.438 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.007 0 CA-C-O 119.089 -0.839 . . . . 36.27 111.296 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 110.088 -0.338 . . . . 51.18 110.088 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -73.79 97.81 2.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.905 -0.405 . . . . 52.33 109.905 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 98.9 t -56.62 -51.29 82.38 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 115.97 -0.559 . . . . 45.08 112.274 -179.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.527 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 31.3 Cg_exo -59.68 -32.38 95.71 Favored 'Trans proline' 0 C--N 1.358 1.066 0 C-N-CA 121.853 1.702 . . . . 40.03 112.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 44.8 ttt-85 -76.21 -49.15 17.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 35.39 110.602 179.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -64.55 -42.12 95.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 39.28 111.44 -179.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -63.13 -41.64 99.34 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.76 -0.459 . . . . 39.58 109.76 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.609 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 16.6 tpp85 -59.44 -46.05 89.86 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 38.87 109.75 179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.495 HD13 ' HB2' ' A' ' 48' ' ' LEU . 68.7 mt -61.49 -39.11 89.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.76 -0.655 . . . . 22.45 110.67 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.6 mt -65.05 -31.97 73.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.148 0.499 . . . . 25.03 109.985 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 44.2 mt-10 -76.27 -40.2 52.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.948 -0.569 . . . . 36.37 110.007 178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 9.2 mm-40 -57.52 -39.55 76.8 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-O 120.947 0.403 . . . . 25.08 110.051 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.1 tp -62.99 -43.1 99.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.815 -0.629 . . . . 28.37 109.692 178.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -64.56 -36.49 84.39 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.721 -0.672 . . . . 45.48 110.117 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 19.0 mm-40 -59.35 -42.28 91.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.959 0.409 . . . . 35.52 109.949 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.05 -36.11 80.06 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.793 -0.718 . . . . 31.25 111.484 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.484 ' HA ' ' CE1' ' B' ' 45' ' ' PHE . 47.9 mt-30 -69.7 -32.81 71.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.125 0.488 . . . . 42.74 110.725 179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -88.4 1.69 54.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.243 -0.435 . . . . 47.38 110.704 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.04 49.62 76.57 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.159 -0.544 . . . . 34.95 112.885 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.7 t -101.5 109.34 25.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.631 0.253 . . . . 28.2 110.584 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.4 -162.36 35.99 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.542 -0.837 . . . . 22.15 112.161 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.36 -47.07 79.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 15.15 111.092 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 138.76 -42.46 1.26 Allowed Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.638 -0.792 . . . . 12.29 112.289 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.42 HG22 HD22 ' B' ' 8' ' ' LEU . 39.9 p -89.91 -42.88 10.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.058 0.456 . . . . 13.75 110.7 -179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.6 m -61.54 131.37 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.879 -0.601 . . . . 14.12 111.012 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.7 m -139.13 138.54 37.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.923 -0.581 . . . . 14.51 110.36 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -138.67 160.3 39.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.925 -0.58 . . . . 16.01 110.224 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 177.82 -155.53 17.55 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.022 -0.609 . . . . 16.67 111.992 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.0 mt -113.58 157.66 21.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.771 0.32 . . . . 25.73 110.713 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -110.46 -64.32 1.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.029 -0.532 . . . . 44.86 111.185 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.55 -29.93 59.54 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.499 -0.319 . . . . 55.38 111.467 -179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.5 10.39 0.22 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.225 1.01 . . . . 59.05 113.467 179.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -95.35 -31.36 13.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.128 0.489 . . . . 62.12 110.9 -179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -76.99 148.31 36.34 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.836 -0.62 . . . . 57.57 110.494 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.8 mtp -116.5 -2.75 11.94 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 111.994 0.368 . . . . 49.86 111.994 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.5 p -75.47 -27.05 58.71 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 109.308 -0.627 . . . . 34.17 109.308 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.495 ' HB2' HD13 ' A' ' 20' ' ' LEU . 47.3 mt 57.14 40.21 28.42 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 114.725 -1.125 . . . . 26.52 111.661 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 14.2 m -83.52 -29.15 28.13 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.983 -0.553 . . . . 22.44 110.459 178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 21.3 mtm-85 -103.83 131.67 50.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 40.81 110.081 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.412 ' HE1' HD22 ' A' ' 20' ' ' LEU . 45.4 m95 -124.93 140.11 53.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.958 0.409 . . . . 18.23 111.538 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.6 m -92.39 116.58 29.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.499 -0.773 . . . . 26.25 110.519 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -116.45 144.91 18.6 Favored Glycine 0 N--CA 1.444 -0.816 0 C-N-CA 120.481 -0.866 . . . . 14.96 111.709 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 2.1 ttp -138.06 128.1 25.71 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 110.11 -0.33 . . . . 21.59 110.11 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.9 mt -114.62 130.33 69.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.11 0.481 . . . . 12.92 110.371 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.5 mt -84.97 118.58 32.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.628 -0.714 . . . . 12.18 109.15 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -48.34 117.32 3.71 Favored Glycine 0 N--CA 1.452 -0.254 0 O-C-N 123.622 0.576 . . . . 13.21 113.226 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.2 Cg_exo -57.92 126.77 22.7 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.195 2.597 . . . . 14.44 112.583 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 29.6 Cg_exo -63.03 156.59 53.8 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.312 2.008 . . . . 17.43 112.203 179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 68.19 21.31 8.62 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.772 -0.649 . . . . 32.61 111.918 179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.2 p -133.59 178.9 6.57 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.758 -0.46 . . . . 17.94 109.758 178.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -79.12 -2.61 41.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.893 0.378 . . . . 18.91 110.851 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 60.7 m-85 -105.96 6.24 31.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.36 0.6 . . . . 16.86 109.739 179.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -59.56 138.75 57.61 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.257 -0.883 . . . . 37.17 113.275 -178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.2 t30 62.66 19.59 11.45 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.809 -1.087 . . . . 30.81 112.754 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -105.87 144.36 32.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.991 0.424 . . . . 25.62 110.662 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.0 mt -107.72 106.28 20.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.521 -0.548 . . . . 19.36 109.521 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.0 m-85 -94.92 132.15 40.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.979 0.419 . . . . 12.92 111.818 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.13 129.04 53.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.401 -0.818 . . . . 13.09 109.933 179.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -121.94 147.27 46.24 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.018 0.437 . . . . 13.47 111.364 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -124.62 105.87 9.68 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.886 -0.783 . . . . 33.44 108.886 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 58.9 t -104.96 130.89 55.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.024 -0.535 . . . . 19.18 111.046 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.5 mt-10 -110.02 117.62 34.24 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.135 -0.484 . . . . 42.22 110.287 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 48.0 m -104.5 99.75 9.44 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.083 -0.508 . . . . 25.59 109.955 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.33 -168.94 15.19 Favored Glycine 0 CA--C 1.519 0.336 0 C-N-CA 121.171 -0.538 . . . . 26.42 113.625 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -70.66 -12.27 30.93 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 123.418 2.746 . . . . 31.44 112.885 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -91.14 -8.56 48.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.62 0.248 . . . . 44.64 110.857 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -73.75 140.69 78.26 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.576 -0.527 . . . . 29.6 109.576 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.435 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 16.2 Cg_endo -96.86 18.33 31.91 Favored 'Cis proline' 0 N--CA 1.457 -0.676 0 C-N-CA 124.7 -0.958 . . . . 27.94 113.202 -0.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -66.74 -35.1 79.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.154 0.502 . . . . 36.76 110.335 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -116.49 156.92 46.93 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.686 -0.688 . . . . 30.58 109.707 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_exo -65.85 130.23 24.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.613 2.209 . . . . 28.58 112.537 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.07 169.52 21.93 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.59 2.193 . . . . 20.75 111.758 179.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 2.9 m -88.2 114.54 24.91 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.683 0.278 . . . . 29.16 110.446 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.17 132.39 60.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.018 0.437 . . . . 20.48 110.947 -179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -150.77 150.87 31.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.16 -0.473 . . . . 41.41 110.356 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -96.29 146.01 25.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.992 -0.549 . . . . 16.6 110.505 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.0 t -95.79 -37.99 8.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.284 0.564 . . . . 18.03 109.522 178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.88 144.07 26.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.52 -0.764 . . . . 15.79 109.843 179.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 80.1 mttt -65.04 119.69 11.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.948 0.404 . . . . 35.04 110.943 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.504 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.8 tt -134.53 130.89 53.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.706 -0.679 . . . . 14.88 110.653 -179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -100.28 84.96 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.104 -0.702 . . . . 14.21 109.104 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 13.8 ttt -133.8 141.99 47.69 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.214 -0.903 . . . . 15.6 109.761 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -58.42 113.71 2.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.321 -0.399 . . . . 27.45 111.397 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 121.9 -25.6 6.75 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.751 -0.738 . . . . 23.3 112.199 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.42 HG13 HG22 ' A' ' 103' ' ' VAL . 3.6 mp -96.74 129.33 46.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.017 0.437 . . . . 22.53 110.653 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -66.4 138.29 57.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.677 -0.692 . . . . 26.32 109.867 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.0 p-10 -81.52 -14.26 57.13 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.879 0.696 . . . . 22.69 112.879 -178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 m -100.15 -55.83 2.52 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.814 -0.354 . . . . 31.16 111.952 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.3 p -86.93 -37.0 18.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.777 0.322 . . . . 30.09 111.576 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.13 10.42 57.33 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.596 -0.811 . . . . 25.64 112.088 -179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.9 mtp -76.87 149.29 36.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 110.304 -0.258 . . . . 38.85 110.304 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 96' ' ' ILE . 3.6 t -99.58 129.41 50.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.387 -0.369 . . . . 25.28 111.182 -179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -74.39 116.15 14.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.069 -0.514 . . . . 34.12 110.045 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.01 -36.78 75.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 29.16 112.207 -178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 106' ' ' ARG . 14.4 mtm180 -67.55 -26.7 66.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.743 0.306 . . . . 52.63 111.705 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -82.75 -18.5 40.47 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.74 0.305 . . . . 34.05 111.401 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.415 ' HB ' ' HB2' ' A' ' 111' ' ' LEU . 33.6 mm -101.26 120.79 53.98 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 110.247 -0.279 . . . . 26.63 110.247 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -50.17 -51.58 10.66 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 123.377 2.718 . . . . 26.05 114.148 -178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 29.6 m -69.28 -16.62 20.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 N-CA-C 112.768 0.655 . . . . 25.84 112.768 -178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.415 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 62.7 mt -93.87 -41.67 9.5 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.935 0.397 . . . . 23.97 110.145 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.66 80.79 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.306 0.574 . . . . 28.65 109.658 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 38.0 mttm -109.32 44.95 1.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.891 -0.781 . . . . 39.1 108.891 178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -60.65 140.4 57.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.05 -0.977 . . . . 29.08 112.429 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -130.66 146.14 52.08 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.527 -1.215 . . . . 45.36 108.018 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.435 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 15.5 p-10 -68.83 -1.65 7.68 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.077 0.399 . . . . 37.64 112.077 -178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.87 -4.93 57.3 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.142 0.496 . . . . 26.71 110.082 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.4 m-30 -93.08 167.32 11.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 23.06 110.606 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.8 p -150.41 -176.15 5.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.847 -0.615 . . . . 17.53 110.222 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 9.0 mt -57.75 -40.37 75.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-N 116.216 -0.447 . . . . 14.03 110.927 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 38.2 ttpt -55.75 -46.94 77.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.76 -0.655 . . . . 24.78 110.946 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 37.9 t -61.64 -42.9 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.058 -0.519 . . . . 17.36 111.04 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 57.2 t -59.91 -48.57 87.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 14.42 110.961 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.38 -41.96 94.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 11.53 111.031 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 21.7 mt-30 -66.04 -42.81 89.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 16.85 111.137 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.27 -43.77 90.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.43 . . . . 30.3 110.575 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 76.4 mt -58.53 -43.69 89.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 14.04 110.772 179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.6 ttt-85 -66.3 -33.72 76.37 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.437 -0.347 . . . . 10.15 110.772 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.8 ttp85 -64.51 -41.15 96.6 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.67 -0.493 . . . . 27.05 109.67 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 42.8 mt -70.79 -18.22 62.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.558 -0.746 . . . . 17.72 110.923 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.5 mtt -75.89 -22.25 56.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.262 0.553 . . . . 18.11 109.605 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 45.9 mtm -95.74 6.29 49.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.68 -0.691 . . . . 22.93 110.054 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 60.5 m -74.73 142.93 44.34 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.853 -0.612 . . . . 25.92 109.448 178.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -49.66 -39.1 35.15 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.981 0.734 . . . . 29.78 112.981 -178.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.4 pm0 -73.16 -17.79 61.34 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 113.347 0.869 . . . . 28.22 113.347 -178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -112.97 -37.48 4.79 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.596 0.591 . . . . 18.41 112.596 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 24.8 ptm -54.76 -20.7 9.02 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 113.695 0.998 . . . . 20.97 113.695 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 21.7 mmtm -117.3 18.93 14.31 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.127 0.417 . . . . 35.29 112.127 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 20.9 mt -79.53 136.02 56.28 Favored Pre-proline 0 C--N 1.324 -0.511 0 C-N-CA 120.994 -0.282 . . . . 15.71 110.379 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 24.3 Cg_exo -63.16 109.51 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.547 2.164 . . . . 19.11 111.667 179.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -85.53 147.98 48.09 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.107 -0.497 . . . . 20.51 111.0 -179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -75.07 167.41 27.04 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.587 2.191 . . . . 26.0 111.031 178.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_exo -44.82 128.42 8.9 Favored 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 123.161 2.574 . . . . 30.09 112.879 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -59.05 130.42 46.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.537 -0.756 . . . . 46.96 111.276 -179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 98.46 11.77 46.92 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.511 -0.852 . . . . 36.35 113.35 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 -93.48 132.87 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.277 0.539 . . . . 36.19 110.268 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.4 p -109.98 160.0 16.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.811 0.338 . . . . 36.38 111.221 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.462 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 25.9 m-85 -83.39 -5.97 59.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.99 0.424 . . . . 44.37 110.591 179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -147.99 151.08 35.17 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.042 -0.526 . . . . 53.87 109.746 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.257 -0.877 . . . . 55.71 110.863 179.561 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.485 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.5 ptt? . . . . . 0 N--CA 1.478 0.97 0 N-CA-C 110.215 -0.291 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -92.18 126.74 37.38 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.977 0.418 . . . . 21.89 111.493 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 16.4 pt -124.94 171.68 13.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 109.098 -0.704 . . . . 10.83 109.098 178.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.577 ' O ' ' HA ' ' B' ' 66' ' ' THR . 64.8 m-85 -127.58 137.17 52.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.036 0.446 . . . . 10.61 110.862 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -115.06 115.68 50.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.078 -0.712 . . . . 9.13 109.078 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -112.27 128.14 56.18 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.508 -0.314 . . . . 20.55 110.928 -178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 17.4 p -88.29 -177.68 5.72 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.222 -0.445 . . . . 11.78 110.654 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.689 HD11 HG13 ' B' ' 70' ' ' VAL . 22.5 mt -79.28 -6.24 56.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 19.31 111.223 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.6 -5.89 44.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.271 0.558 . . . . 23.14 110.273 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.71 -14.09 62.03 Favored Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.826 -0.702 . . . . 19.74 112.239 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -60.4 120.68 10.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.892 0.377 . . . . 21.93 110.146 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.4 m -117.25 120.21 37.54 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.136 -0.483 . . . . 12.33 110.58 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 23.5 pt -112.95 145.5 18.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.128 -0.487 . . . . 17.08 110.721 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 m -91.15 135.41 33.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.031 -0.531 . . . . 16.3 109.997 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' B' ' 29' ' ' LYS . 20.8 tp -137.1 144.88 43.31 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.168 -0.308 . . . . 15.88 110.168 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -114.81 117.73 31.57 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.186 0.517 . . . . 28.9 110.49 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.485 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.0 m -143.21 171.13 9.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.574 -0.739 . . . . 12.05 109.948 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 54.7 mm-40 -106.77 153.47 40.73 Favored Pre-proline 0 C--N 1.32 -0.676 0 N-CA-C 110.068 -0.345 . . . . 18.17 110.068 179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.18 -31.51 76.18 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.715 2.276 . . . . 8.16 113.2 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -82.21 -2.36 52.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.204 -0.453 . . . . 11.13 111.845 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.538 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 2.3 m-20 -70.89 143.7 50.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.117 0.484 . . . . 18.03 110.521 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 32.4 p -83.28 150.91 25.86 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.547 -0.751 . . . . 10.22 110.205 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.2 mm -57.96 -32.21 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.431 0.634 . . . . 12.3 109.591 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.74 -43.36 96.71 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.504 -0.771 . . . . 36.51 110.401 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -65.09 -35.84 82.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.048 0.452 . . . . 25.66 110.008 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.24 -45.86 97.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.848 -0.615 . . . . 8.12 109.631 178.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.54 -39.93 89.69 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.968 -0.56 . . . . 15.47 110.391 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.64 98.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.727 -0.669 . . . . 11.45 110.805 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.438 ' HB3' HD11 ' B' ' 15' ' ' LEU . 63.8 mttt -65.43 -41.19 93.77 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.836 -0.431 . . . . 24.98 109.836 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.7 mt -61.19 -41.96 91.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.079 -0.51 . . . . 9.46 110.054 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -70.44 -28.53 65.1 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.156 0.503 . . . . 14.76 110.384 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -70.72 -46.92 62.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 26.29 111.724 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -88.79 -36.31 16.15 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.983 0.734 . . . . 30.06 112.983 -178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -94.25 -58.47 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.766 0.317 . . . . 25.19 110.945 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.08 13.38 6.5 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.457 -0.878 . . . . 7.41 113.077 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.6 mt -88.2 117.15 68.08 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 122.685 -0.303 . . . . 9.49 110.463 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 40.7 Cg_exo -58.56 132.96 51.39 Favored 'Trans proline' 0 CA--C 1.53 0.319 0 C-N-CA 122.648 2.232 . . . . 11.42 112.157 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.3 Cg_exo -55.72 -26.02 54.18 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 123.295 2.663 . . . . 12.0 113.217 -179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -56.43 -39.1 72.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.158 -0.474 . . . . 35.55 111.874 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 -101.74 14.09 32.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.819 0.342 . . . . 20.52 111.077 -178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.59 96.58 9.94 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.16 -0.473 . . . . 7.13 111.101 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.61 ' HE ' HD11 ' B' ' 44' ' ' ILE . 38.4 ttt180 -100.69 94.76 6.26 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.82 -0.807 . . . . 36.39 108.82 178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.563 ' HB3' HD12 ' B' ' 50' ' ' LEU . 34.1 mt -77.86 121.94 24.79 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.204 0.526 . . . . 9.55 111.03 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.61 HD11 ' HE ' ' B' ' 42' ' ' ARG . 26.6 mm -117.49 126.61 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.333 -0.848 . . . . 13.9 109.774 179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.484 ' CE1' ' HA ' ' A' ' 28' ' ' GLN . 90.4 t80 -158.43 151.15 22.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.599 -0.273 . . . . 6.86 110.647 -178.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.28 23.45 13.67 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.968 -0.56 . . . . 11.15 112.041 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.46 16.57 80.55 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.913 -0.66 . . . . 13.93 112.679 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 42.1 mtm180 -140.67 177.67 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.894 0.378 . . . . 0.0 110.619 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.476 ' HA ' HD13 ' B' ' 44' ' ' ILE . 4.6 tt0 -96.87 135.06 39.37 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.913 -0.585 . . . . 23.23 110.198 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.563 HD12 ' HB3' ' B' ' 43' ' ' LEU . 20.7 mt -89.22 122.43 32.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 9.11 110.208 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.434 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 0.9 OUTLIER -84.37 150.54 25.29 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.991 -0.549 . . . . 33.44 110.538 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -65.21 -43.8 90.36 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.213 0.82 . . . . 28.37 113.213 -178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 35.43 2.66 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.999 -0.619 . . . . 15.0 114.076 -177.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.434 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 17.4 mmt180 -127.91 167.35 16.74 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.426 -0.455 . . . . 25.5 110.029 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.7 p -108.05 170.86 7.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.432 -0.349 . . . . 11.95 110.639 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.41 HD12 ' O ' ' B' ' 18' ' ' GLU . 93.8 mt -64.98 -32.48 74.23 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.981 0.42 . . . . 10.17 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -13.26 61.72 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.216 -0.447 . . . . 13.59 111.405 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -78.35 -18.47 55.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.697 0.284 . . . . 11.7 110.958 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -124.24 16.2 9.09 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.557 -0.292 . . . . 12.95 111.173 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 58.88 34.94 23.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.397 0.618 . . . . 25.45 111.271 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.7 mt -83.11 107.63 15.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.408 -0.589 . . . . 14.6 109.408 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -109.8 -166.75 1.12 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.923 -0.58 . . . . 33.23 110.289 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.2 pttp -68.59 154.56 41.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.51 -0.314 . . . . 25.97 110.635 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 69.24 -2.3 1.88 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.862 -0.608 . . . . 32.61 112.629 179.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.5 m -72.63 139.02 47.1 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.949 -0.389 . . . . 10.56 109.949 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.577 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 25.7 m -113.54 109.34 18.48 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.254 0.549 . . . . 5.33 110.563 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 10.5 mt -83.77 149.6 26.33 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.58 -0.736 . . . . 11.66 110.498 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -95.65 104.78 16.71 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.572 -0.529 . . . . 16.3 109.572 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 36.1 tp -85.59 102.19 13.33 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.089 0.471 . . . . 9.96 109.867 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.689 HG13 HD11 ' B' ' 8' ' ' LEU . 21.3 t -91.37 122.81 43.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.771 -0.65 . . . . 9.76 110.763 -179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 tp -78.54 107.53 11.27 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.651 -0.5 . . . . 19.57 109.651 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -71.75 118.12 14.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.275 -0.421 . . . . 35.08 109.907 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.8 120.86 10.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.969 -0.56 . . . . 32.31 111.128 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.6 ttp180 -136.89 106.33 6.1 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.973 -0.558 . . . . 42.75 110.12 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.66 69.69 0.88 Allowed Glycine 0 N--CA 1.444 -0.773 0 C-N-CA 120.529 -0.843 . . . . 36.31 111.986 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 N-CA-C 110.973 -0.851 . . . . 36.27 110.973 179.815 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.6 t . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 120.8 0.333 . . . . 51.18 110.181 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -75.29 100.06 4.26 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.42 -0.355 . . . . 52.33 110.33 179.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 21.7 t -61.26 -51.11 80.51 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 116.072 -0.513 . . . . 45.08 111.958 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.527 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 50.4 Cg_exo -55.81 -45.62 37.57 Favored 'Trans proline' 0 C--N 1.359 1.083 0 C-N-CA 121.753 1.635 . . . . 40.03 112.196 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 60.4 ttt-85 -64.88 -47.15 78.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.089 -0.505 . . . . 35.39 110.289 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 28.0 t-20 -61.51 -45.6 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.998 -0.546 . . . . 39.28 110.786 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -59.93 -45.75 91.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.383 -0.371 . . . . 39.58 110.59 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.495 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 1.9 tpp85 -59.46 -44.46 92.99 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.7 -0.481 . . . . 38.87 109.7 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.523 HD13 ' HB2' ' A' ' 48' ' ' LEU . 69.1 mt -66.01 -37.62 86.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.621 -0.718 . . . . 22.45 111.141 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 55.0 mt -61.33 -46.36 90.6 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-O 121.149 0.499 . . . . 25.03 109.825 178.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 41.9 mt-10 -63.82 -42.0 97.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.686 -0.688 . . . . 36.37 110.512 179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.495 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 29.6 mt-10 -66.33 -32.82 74.45 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-O 120.964 0.411 . . . . 25.08 110.35 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 30.9 tp -67.96 -44.95 75.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 28.37 109.847 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -61.24 -32.75 72.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.522 -0.763 . . . . 45.48 110.193 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 36.0 mt-10 -61.13 -39.59 90.61 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.366 -0.379 . . . . 35.52 110.552 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -66.81 -32.6 81.65 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.921 -0.657 . . . . 31.25 112.056 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -80.06 -31.56 39.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.21 0.528 . . . . 42.74 110.327 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -82.48 0.56 41.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.085 -0.507 . . . . 47.38 110.648 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 60.63 39.19 96.2 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.91 -0.586 . . . . 34.95 113.045 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.3 t -59.9 137.4 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 28.2 111.487 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.99 -177.17 17.63 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 121.004 -0.617 . . . . 22.15 112.269 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -69.41 -37.37 77.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.088 0.47 . . . . 15.15 109.988 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.95 -15.6 4.55 Favored Glycine 0 N--CA 1.443 -0.844 0 C-N-CA 120.691 -0.766 . . . . 12.29 112.997 179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.495 ' O ' HG13 ' A' ' 56' ' ' ILE . 37.1 p -83.98 -7.77 59.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 13.75 111.481 -179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.2 m -120.85 129.04 76.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.813 -0.63 . . . . 14.12 110.128 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.9 m -142.36 140.43 32.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.4 -0.364 . . . . 14.51 110.408 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 40.7 p90 -144.62 179.27 7.4 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.431 -0.349 . . . . 16.01 110.7 -179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 172.67 -179.65 44.03 Favored Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 111.624 -0.59 . . . . 16.67 111.624 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.78 134.53 41.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 117.081 0.441 . . . . 25.73 110.119 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.72 -60.78 2.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.374 -0.376 . . . . 44.86 110.765 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 12.0 t70 -74.76 -40.12 61.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.102 -0.499 . . . . 55.38 111.431 -179.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.495 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 9.0 t70 75.54 -44.59 0.52 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.346 0.659 . . . . 59.05 111.187 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -75.02 -45.45 41.72 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.063 0.459 . . . . 62.12 110.138 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -70.38 108.66 4.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.715 -0.675 . . . . 57.57 109.499 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.4 mtt -81.87 23.02 0.71 Allowed 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 113.291 0.849 . . . . 49.86 113.291 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 78.1 p -80.46 -23.52 40.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.424 -0.584 . . . . 34.17 109.424 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 ' HB2' HD13 ' A' ' 20' ' ' LEU . 1.8 mt 57.81 37.18 26.99 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 114.681 -1.145 . . . . 26.52 111.247 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 74' ' ' CYS . 36.2 m -93.13 -39.1 11.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.916 -0.584 . . . . 22.44 110.553 179.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 79.4 mtm180 -100.67 122.13 42.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.763 0.316 . . . . 40.81 110.624 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 44.7 m95 -122.69 151.82 41.15 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.996 -0.547 . . . . 18.23 111.007 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -112.5 141.48 46.2 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.307 -0.627 . . . . 26.25 109.307 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -133.68 145.53 17.57 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 120.753 -0.736 . . . . 14.96 111.489 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . 0.43 ' SD ' HG23 ' A' ' 67' ' ' ILE . 2.7 ttp -135.2 124.96 25.36 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.832 -0.433 . . . . 21.59 109.832 179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.6 mt -110.97 126.66 68.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.121 -0.49 . . . . 12.92 110.408 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.506 HD13 HG21 ' B' ' 70' ' ' VAL . 0.5 OUTLIER -89.39 107.47 18.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 108.834 -0.802 . . . . 12.18 108.834 178.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -49.98 137.17 23.55 Favored Glycine 0 CA--C 1.52 0.376 0 CA-C-N 115.811 -0.631 . . . . 13.21 114.415 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 56.9 Cg_endo -71.43 140.72 37.17 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 123.229 2.62 . . . . 14.44 112.543 179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 16.6 Cg_exo -67.74 166.79 23.06 Favored 'Trans proline' 0 C--O 1.236 0.421 0 C-N-CA 122.536 2.157 . . . . 17.43 112.198 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 27.4 mmm180 71.12 14.64 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.797 -0.638 . . . . 32.61 111.189 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.4 p -134.4 -178.65 5.15 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.127 -0.694 . . . . 17.94 109.127 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -77.61 -5.81 51.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.084 0.469 . . . . 18.91 110.32 178.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.541 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 11.8 m-85 -104.18 13.26 32.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.073 -0.512 . . . . 16.86 109.679 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -50.6 109.32 0.3 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.674 0.62 . . . . 37.17 112.674 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 57.2 29.32 16.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.482 -0.781 . . . . 30.81 111.176 178.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 mtt180 -91.4 123.85 35.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.648 -0.501 . . . . 25.62 109.648 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.43 HG23 ' SD ' ' A' ' 54' ' ' MET . 78.9 mt -84.97 112.68 22.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.379 -0.373 . . . . 19.36 111.039 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.417 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 42.4 m-85 -108.15 121.35 44.66 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.075 -0.343 . . . . 12.92 110.075 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 50.9 m -94.6 131.89 39.89 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.103 -0.498 . . . . 13.09 110.66 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.0 mp -125.88 155.7 40.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.68 -0.691 . . . . 13.47 110.653 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -129.63 121.42 27.0 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.551 -0.907 . . . . 33.44 108.551 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.5 t -113.28 128.72 69.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.032 0.444 . . . . 19.18 111.353 -178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -106.55 105.28 15.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.834 -0.621 . . . . 42.22 109.457 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . 0.46 ' O ' HG23 ' A' ' 49' ' ' THR . 55.7 m -88.56 100.93 13.46 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.083 -0.508 . . . . 25.59 110.291 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.86 -178.38 17.53 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.916 -0.583 . . . . 26.42 113.497 -178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.63 -6.64 18.3 Favored 'Trans proline' 0 CA--C 1.529 0.253 0 C-N-CA 123.214 2.61 . . . . 31.44 112.558 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -93.06 -6.69 47.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.613 -0.267 . . . . 44.64 110.87 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.414 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.4 t80 -67.29 139.78 94.99 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 109.566 -0.531 . . . . 29.6 109.566 179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.52 ' O ' ' HA ' ' A' ' 116' ' ' ASN . 65.3 Cg_endo -99.26 21.16 23.2 Favored 'Cis proline' 0 N--CA 1.457 -0.655 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.192 0.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -70.88 -41.5 71.26 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.845 0.355 . . . . 36.76 111.128 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.75 154.42 43.24 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.016 -0.538 . . . . 30.58 110.255 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.98 129.21 18.0 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.572 2.182 . . . . 28.58 112.293 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.02 171.73 17.35 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.552 2.168 . . . . 20.75 111.732 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 m -84.17 114.87 22.1 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.706 0.289 . . . . 29.16 110.439 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.5 t -113.98 129.42 69.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.185 -0.461 . . . . 20.48 110.645 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 24.5 ptt-85 -146.35 159.2 43.69 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.758 0.313 . . . . 41.41 110.732 179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -102.16 143.46 31.94 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.864 -0.607 . . . . 16.6 110.857 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.8 t -94.79 -43.97 13.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 109.549 -0.537 . . . . 18.03 109.549 178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.2 143.47 28.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.672 -0.694 . . . . 15.79 109.779 179.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 71.8 mttt -65.61 125.55 25.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 35.04 111.407 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.417 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.9 tt -141.37 130.53 24.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 14.88 110.339 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -97.98 84.82 3.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.985 0.421 . . . . 14.21 110.014 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.572 ' HB3' HD12 ' A' ' 96' ' ' ILE . 3.9 ttp -126.63 146.04 50.33 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 15.6 110.001 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -62.19 113.36 2.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.753 0.311 . . . . 27.45 110.996 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.71 -9.41 14.52 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.716 -0.754 . . . . 23.3 112.673 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.572 HD12 ' HB3' ' A' ' 93' ' ' MET . 33.8 mt -111.04 135.39 50.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.913 0.387 . . . . 22.53 111.131 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.29 132.96 41.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.771 -0.65 . . . . 26.32 109.327 178.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -83.55 -0.63 51.2 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.215 0.82 . . . . 22.69 113.215 -177.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.6 m -102.23 -59.27 1.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.972 -0.455 . . . . 31.16 111.53 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.91 -26.12 17.01 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.891 0.33 . . . . 30.09 111.891 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.99 21.53 35.69 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.494 -0.86 . . . . 25.64 112.009 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 87.5 mtp -82.3 139.38 34.19 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.787 0.327 . . . . 38.85 110.613 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.0 t -100.28 129.01 51.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.292 -0.413 . . . . 25.28 110.601 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.586 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 34.3 t0 -70.53 119.58 14.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.259 -0.428 . . . . 34.12 110.629 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -60.01 -43.41 95.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.597 -0.729 . . . . 29.16 112.652 -178.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.586 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 14.3 ptt-85 -74.18 -4.08 33.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.736 0.303 . . . . 52.63 111.694 -178.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 22.9 m -96.45 -12.46 24.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.183 0.516 . . . . 34.05 110.209 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.41 HG22 HG22 ' A' ' 110' ' ' VAL . 22.2 mm -111.39 118.92 46.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 109.586 -0.524 . . . . 26.63 109.586 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -47.76 -44.81 25.76 Favored 'Trans proline' 0 CA--C 1.532 0.418 0 C-N-CA 123.347 2.698 . . . . 26.05 114.438 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.41 HG22 HG22 ' A' ' 108' ' ' ILE . 28.0 m -71.26 -25.27 24.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.428 0.529 . . . . 25.84 112.428 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.0 mt -88.84 -38.72 14.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.838 0.351 . . . . 23.97 110.642 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.92 -43.09 89.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.111 0.482 . . . . 28.65 110.265 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.87 57.05 0.76 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.799 -0.815 . . . . 39.1 108.799 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 64.6 t-105 -66.09 139.66 58.18 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.487 -0.779 . . . . 29.08 112.261 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -128.32 148.8 50.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.774 -1.103 . . . . 45.36 108.513 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.52 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 30.0 p30 -67.42 -13.16 61.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.102 0.477 . . . . 37.64 110.79 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.64 0.26 35.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.956 -0.565 . . . . 26.71 110.406 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -91.09 -177.34 4.88 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.084 -0.507 . . . . 23.06 110.074 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 16.8 p -166.8 -179.17 4.63 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.914 -0.584 . . . . 17.53 109.749 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 20.7 mt -64.89 -34.6 71.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.294 0.569 . . . . 14.03 109.742 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -59.9 -42.17 93.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.357 -0.838 . . . . 24.78 109.445 178.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.63 -39.69 86.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.29 -0.868 . . . . 17.36 110.832 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.18 -49.55 82.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.087 -0.506 . . . . 14.42 111.027 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.95 -41.28 97.79 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.153 -0.476 . . . . 11.53 111.186 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.32 -40.7 96.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.913 0.387 . . . . 16.85 110.62 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -67.06 -47.78 70.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.916 -0.584 . . . . 30.3 110.727 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.18 -44.73 88.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.006 -0.543 . . . . 14.04 111.326 -179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -63.71 -34.08 77.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.721 0.296 . . . . 10.15 110.835 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.1 ttp85 -68.49 -38.23 80.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.032 0.444 . . . . 27.05 109.849 179.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.22 -23.02 63.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.467 -0.788 . . . . 17.72 110.871 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 56.6 mtt -75.4 -18.76 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.263 0.554 . . . . 18.11 109.779 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 74.6 mtm -93.78 -0.55 55.82 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.468 -0.787 . . . . 22.93 110.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.7 m -65.72 147.06 54.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.02 -0.536 . . . . 25.92 110.491 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -54.47 -37.34 65.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.982 -0.553 . . . . 29.78 111.55 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -87.26 14.39 7.91 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 112.762 0.652 . . . . 28.22 112.762 -178.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -137.12 -37.34 0.65 Allowed 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.396 0.517 . . . . 18.41 112.396 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 15.3 ptm -61.23 -21.34 63.77 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.656 0.984 . . . . 20.97 113.656 -177.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 23.4 mmtm -121.39 30.65 6.67 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.353 0.501 . . . . 35.29 112.353 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 39.8 mt -89.32 141.97 29.44 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.836 -0.431 . . . . 15.71 109.836 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 139' ' ' LEU . 35.7 Cg_exo -60.64 123.74 13.63 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.577 2.185 . . . . 19.11 111.103 178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -105.9 143.87 27.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-O 120.808 0.337 . . . . 20.51 111.646 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -68.18 157.76 60.42 Favored 'Trans proline' 0 C--O 1.237 0.473 0 C-N-CA 122.475 2.116 . . . . 26.0 111.601 178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.55 130.16 21.4 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 123.132 2.555 . . . . 30.09 112.591 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -57.65 133.6 55.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 46.96 110.9 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 109.88 -12.11 32.16 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.598 -0.81 . . . . 36.35 112.229 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -79.34 123.79 27.81 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.989 0.424 . . . . 36.19 110.769 179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.22 147.38 36.33 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.936 -0.575 . . . . 36.38 110.42 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.45 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 55.2 m-85 -66.27 -38.26 87.4 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.38 -0.6 . . . . 44.37 109.38 179.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -113.96 127.69 56.07 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.436 -0.802 . . . . 53.87 109.573 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.001 -0.999 . . . . 55.71 110.59 -179.283 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.069 -0.345 . . . . 17.17 110.069 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -97.13 119.92 36.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.992 0.425 . . . . 21.89 111.036 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.4 pt -110.6 168.82 4.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.519 -0.548 . . . . 10.83 109.519 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.46 ' O ' ' HA ' ' B' ' 66' ' ' THR . 60.9 m-85 -118.19 138.54 52.24 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.726 0.298 . . . . 10.61 110.267 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 18.4 t -123.64 112.13 31.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 N-CA-C 109.486 -0.561 . . . . 9.13 109.486 179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -107.59 120.45 42.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.928 0.394 . . . . 20.55 111.227 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' B' ' 69' ' ' LEU . 0.7 OUTLIER -85.88 159.25 19.73 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.811 -0.631 . . . . 11.78 109.318 178.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.515 HD11 HG13 ' B' ' 70' ' ' VAL . 9.8 mt -59.03 -19.68 46.12 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.949 0.404 . . . . 19.31 111.468 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.75 -21.71 62.49 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.464 . . . . 23.14 111.039 179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 109.84 -4.73 30.64 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.976 -0.63 . . . . 19.74 112.518 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -79.63 123.98 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.863 0.363 . . . . 21.93 110.697 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.8 m -113.99 107.93 16.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.166 -0.47 . . . . 12.33 109.923 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 31.2 pt -101.41 166.19 2.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.997 -0.547 . . . . 17.08 111.213 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.36 148.41 32.02 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.979 -0.555 . . . . 16.3 109.825 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 tp -142.13 128.85 20.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.834 0.349 . . . . 15.88 111.246 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -94.55 103.91 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.935 -0.575 . . . . 28.9 109.749 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.34 168.65 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.245 -0.434 . . . . 12.05 111.365 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 82.0 mm-40 -112.17 153.12 44.78 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 115.948 -0.569 . . . . 18.17 109.808 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -59.98 -18.83 52.45 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.92 2.413 . . . . 8.16 113.115 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.5 -1.15 57.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.147 -0.479 . . . . 11.13 111.526 -179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.3 OUTLIER -82.23 154.97 25.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.113 0.483 . . . . 18.03 111.437 -179.367 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 46.0 p -91.67 154.46 18.98 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.58 -0.736 . . . . 10.22 110.565 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 50.6 mm -62.51 -30.08 48.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.213 0.53 . . . . 12.3 110.098 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -61.36 -47.38 86.14 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.527 -0.76 . . . . 36.51 110.527 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -66.36 -31.95 73.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.994 0.426 . . . . 25.66 110.16 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.3 t -60.01 -46.16 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.914 -0.584 . . . . 8.12 109.744 178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -66.24 -34.4 77.93 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.617 -0.72 . . . . 15.47 110.666 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -39.92 95.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.016 -0.538 . . . . 11.45 110.747 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.97 -40.27 91.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 24.98 110.057 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 90.7 mt -63.64 -38.03 81.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.991 -0.55 . . . . 9.46 109.791 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -66.52 -33.88 76.66 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.935 -0.575 . . . . 14.76 110.636 179.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -70.08 -41.2 74.4 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 26.29 112.281 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -92.55 -47.67 7.01 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.13 0.789 . . . . 30.06 113.13 -178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -86.57 -24.22 25.5 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.312 0.486 . . . . 25.19 112.312 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.88 11.35 79.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.523 -0.846 . . . . 7.41 112.403 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.403 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.2 mt -86.07 119.25 71.61 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 110.36 -0.237 . . . . 9.49 110.36 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 28.6 Cg_exo -61.78 133.67 46.26 Favored 'Trans proline' 0 CA--C 1.529 0.225 0 C-N-CA 122.479 2.119 . . . . 11.42 112.205 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 46.5 Cg_exo -57.63 -24.04 60.46 Favored 'Trans proline' 0 C--N 1.35 0.633 0 C-N-CA 123.101 2.534 . . . . 12.0 112.597 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -67.92 -22.33 65.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.89 -0.596 . . . . 35.55 110.866 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.511 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 12.6 mt-30 -109.61 15.43 22.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.014 -0.539 . . . . 20.52 110.501 -179.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -104.93 120.2 40.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.32 -0.4 . . . . 7.13 111.796 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.419 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 1.4 tpp180 -118.72 106.35 12.48 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.417 -0.957 . . . . 36.39 108.417 177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.5 mt -92.76 113.22 25.43 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.035 0.445 . . . . 9.55 111.49 -178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 39.4 mm -109.95 127.34 66.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.558 -0.747 . . . . 13.9 109.865 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.433 ' HB3' HD21 ' B' ' 50' ' ' LEU . 55.4 t80 -156.9 149.45 23.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.856 -0.156 . . . . 6.86 110.869 -179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.64 29.35 13.47 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.812 0.695 . . . . 11.15 111.884 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.91 32.91 78.31 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.035 -0.602 . . . . 13.93 112.318 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 25.8 mtm180 -150.21 177.6 9.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.951 0.405 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.51 128.65 54.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.758 -0.656 . . . . 23.23 109.891 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' B' ' 43' ' ' LEU . 21.1 mt -82.6 111.74 18.86 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.515 -0.311 . . . . 9.11 110.331 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.469 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 24.1 tt0 -73.41 134.05 43.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.478 -0.328 . . . . 33.44 110.35 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -54.48 -41.8 69.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.093 -0.503 . . . . 28.37 111.942 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.42 -7.09 82.28 Favored Glycine 0 CA--C 1.52 0.392 0 CA-C-N 116.012 -0.54 . . . . 15.0 114.228 -178.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.469 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 5.5 mmp_? -93.87 173.28 7.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.611 0.706 . . . . 25.5 110.661 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 40.9 p -104.69 168.88 8.79 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.21 -0.45 . . . . 11.95 111.129 -179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 42.6 mt -66.3 -31.58 72.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.093 0.473 . . . . 10.17 110.597 179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -18.51 60.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.004 -0.543 . . . . 13.59 111.431 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.492 ' HB2' ' O ' ' B' ' 55' ' ' THR . 1.7 m-20 -61.91 -35.82 79.5 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.95 0.405 . . . . 11.7 111.225 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -107.82 15.17 24.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.972 -0.558 . . . . 12.95 111.358 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 58.5 t30 56.86 43.16 25.38 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.774 -0.648 . . . . 25.45 111.41 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 46.0 mt -79.28 116.34 23.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.697 -0.483 . . . . 14.6 109.697 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -92.95 -177.64 4.56 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.775 -0.648 . . . . 33.23 111.322 -178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -79.65 159.58 26.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.648 . . . . 25.97 109.936 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 62.5 8.06 2.69 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 122.84 0.456 . . . . 32.61 112.228 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.1 m -80.46 144.18 32.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.857 -0.423 . . . . 10.56 109.857 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 2.5 m -104.36 106.81 17.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.018 0.437 . . . . 5.33 111.724 -179.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 48.9 mt -76.92 142.45 40.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.795 -0.639 . . . . 11.66 109.521 178.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -91.12 106.8 18.77 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.556 -0.535 . . . . 16.3 109.556 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' B' ' 7' ' ' THR . 47.6 tp -92.27 106.63 18.59 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.413 0.625 . . . . 9.96 111.085 -179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.515 HG13 HD11 ' B' ' 8' ' ' LEU . 1.9 t -96.79 130.12 45.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 108.454 -0.943 . . . . 9.76 108.454 178.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 25.1 tp -86.95 123.45 32.08 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 19.57 111.602 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.511 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 63.4 ttp85 -86.8 123.03 31.5 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.163 -0.68 . . . . 35.08 109.163 178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -82.78 113.37 20.39 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.115 0.483 . . . . 32.31 110.738 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -111.45 112.69 24.61 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.738 -0.665 . . . . 42.75 110.05 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.67 54.97 2.52 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.638 -0.791 . . . . 36.31 111.572 -179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.918 0 CA-C-O 119.025 -0.875 . . . . 36.27 111.653 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.1 t . . . . . 0 N--CA 1.479 0.999 0 N-CA-C 110.052 -0.351 . . . . 51.18 110.052 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -77.34 94.88 4.27 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.504 -0.316 . . . . 52.33 110.171 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.509 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 6.2 t -57.37 -51.02 84.79 Favored Pre-proline 0 CA--C 1.538 0.51 0 N-CA-C 112.5 0.556 . . . . 45.08 112.5 -179.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.509 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 32.5 Cg_exo -58.29 -38.81 89.15 Favored 'Trans proline' 0 C--N 1.358 1.045 0 C-N-CA 121.871 1.714 . . . . 40.03 112.06 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.405 ' O ' ' HG ' ' A' ' 20' ' ' LEU . 34.7 ttt180 -70.88 -45.89 63.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.04 -0.527 . . . . 35.39 110.404 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -55.65 -53.06 61.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.016 -0.538 . . . . 39.28 111.146 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 30.7 t80 -65.77 -36.23 82.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.385 -0.371 . . . . 39.58 110.731 -179.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' HD2' HH11 ' A' ' 19' ' ' ARG . 8.6 tpp85 -59.97 -44.49 94.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.968 0.413 . . . . 38.87 109.919 179.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 16' ' ' ARG . 73.7 mt -63.95 -38.15 90.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.771 -0.649 . . . . 22.45 110.229 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.14 -36.88 85.08 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.148 -0.478 . . . . 25.03 110.74 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 18' ' ' PHE . 38.3 mt-10 -64.96 -54.65 27.2 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.45 -0.341 . . . . 36.37 110.158 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -58.83 -37.28 76.07 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.897 -0.592 . . . . 25.08 110.206 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.05 -50.34 64.52 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.518 -0.764 . . . . 28.37 110.86 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -64.22 -40.6 96.38 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.323 -0.399 . . . . 45.48 111.062 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -57.51 -51.15 70.62 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.838 0.351 . . . . 35.52 110.263 179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.67 -39.09 95.17 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.831 -0.622 . . . . 31.25 112.361 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -20.87 64.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.806 0.336 . . . . 42.74 110.921 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -93.46 -2.32 54.65 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.419 -0.355 . . . . 47.38 110.359 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.74 10.15 81.77 Favored Glycine 0 CA--C 1.517 0.197 0 C-N-CA 121.066 -0.588 . . . . 34.95 114.157 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.07 119.74 11.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.052 0.426 . . . . 28.2 110.462 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.42 176.34 37.5 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.487 -0.863 . . . . 22.15 112.494 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -68.1 -55.16 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.156 0.503 . . . . 15.15 111.106 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 133.22 -36.28 2.16 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 120.798 -0.715 . . . . 12.29 111.667 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.413 ' O ' HG13 ' A' ' 56' ' ' ILE . 42.5 p -78.19 -14.16 59.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.464 0.65 . . . . 13.75 110.349 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.9 m -141.76 144.95 24.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.027 -0.988 . . . . 14.12 109.242 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.0 m -155.92 159.35 39.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.451 -0.203 . . . . 14.51 110.451 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 33.6 p90 -131.3 167.76 18.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.472 -0.331 . . . . 16.01 110.548 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -168.05 -171.89 34.45 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.069 -0.586 . . . . 16.67 111.935 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.476 HD13 ' HA ' ' A' ' 43' ' ' ASP . 1.6 mt -95.16 153.83 17.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.809 0.338 . . . . 25.73 111.192 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -122.27 34.66 5.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.068 -0.515 . . . . 44.86 110.313 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.523 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 8.9 t70 -163.71 -51.02 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.481 -0.327 . . . . 55.38 111.638 -179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.523 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 3.8 t70 76.98 -46.8 0.51 Allowed 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.834 0.709 . . . . 59.05 111.538 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -72.14 -46.51 56.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.769 0.319 . . . . 62.12 110.71 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 61.7 t0 -59.4 120.06 8.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.748 -0.66 . . . . 57.57 110.97 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 42.1 mtt -93.17 -1.64 56.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.019 -0.537 . . . . 49.86 111.803 -179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -79.75 -23.67 42.1 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.446 -0.502 . . . . 34.17 109.978 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 20.6 mt 52.43 66.86 1.09 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.21 -0.905 . . . . 26.52 111.32 178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 m -101.88 -40.34 6.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.251 -0.431 . . . . 22.44 111.652 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 53.9 mtm-85 -98.72 113.67 25.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.746 0.307 . . . . 40.81 110.55 -179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 54.7 m95 -109.39 143.87 38.36 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.261 0.553 . . . . 18.23 110.7 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.4 m -91.23 132.0 36.4 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.672 -0.695 . . . . 26.25 110.487 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -123.7 146.46 16.37 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 110.925 -0.87 . . . . 14.96 110.925 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.0 ttp -144.6 129.51 18.38 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.107 0.454 . . . . 21.59 110.583 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -120.13 124.9 73.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.83 -0.623 . . . . 12.92 110.262 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.484 HD13 HG21 ' B' ' 70' ' ' VAL . 1.9 mt -90.7 115.96 31.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.286 -0.635 . . . . 12.18 109.286 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.674 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -46.82 125.85 9.47 Favored Glycine 0 CA--C 1.522 0.494 0 O-C-N 123.867 0.729 . . . . 13.21 114.256 -178.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 23.7 Cg_exo -65.55 138.66 55.44 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.989 2.46 . . . . 14.44 112.5 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 24.7 Cg_exo -63.82 160.6 36.26 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 122.551 2.168 . . . . 17.43 112.403 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.6 mmm180 67.42 18.79 10.13 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.581 -0.736 . . . . 32.61 111.952 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.7 p -133.1 177.56 7.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.108 -0.33 . . . . 17.94 110.108 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -73.58 -13.65 61.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.078 0.466 . . . . 18.91 110.323 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.674 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 55.6 m-85 -95.27 -2.49 49.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.042 -0.526 . . . . 16.86 110.707 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -54.17 132.2 42.73 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.644 0.609 . . . . 37.17 112.644 -178.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.2 t30 63.99 22.29 12.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.08 -0.964 . . . . 30.81 112.152 178.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.2 mtt180 -111.44 125.21 53.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.921 0.391 . . . . 25.62 110.845 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 61.3 mt -92.94 109.75 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.15 -0.477 . . . . 19.36 109.942 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.477 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 57.4 m-85 -101.0 121.51 41.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.223 -0.444 . . . . 12.92 111.056 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.1 m -90.8 134.6 34.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.679 -0.691 . . . . 13.09 109.901 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD21 ' CZ ' ' A' ' 87' ' ' PHE . 6.1 mp -126.9 160.18 31.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.121 0.486 . . . . 13.47 111.164 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -131.06 122.65 27.13 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.465 -0.789 . . . . 33.44 109.034 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.4 t -119.54 123.35 70.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.983 0.421 . . . . 19.18 110.81 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.19 122.4 46.67 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.092 -0.504 . . . . 42.22 109.967 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 50.5 m -89.34 138.54 31.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.924 -0.58 . . . . 25.59 110.582 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -88.13 178.52 46.48 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.808 -0.711 . . . . 26.42 112.266 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.19 -5.88 17.94 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.827 2.351 . . . . 31.44 113.264 -179.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.6 mttt -109.87 14.99 22.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.944 0.402 . . . . 44.64 110.66 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 71.7 t80 -72.93 141.87 82.3 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 109.394 -0.595 . . . . 29.6 109.394 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.418 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 83.6 Cg_endo -97.0 25.52 21.12 Favored 'Cis proline' 0 C--N 1.347 0.491 0 C-N-CA 124.45 -1.063 . . . . 27.94 113.554 0.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -75.58 -30.42 59.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.288 0.566 . . . . 36.76 109.83 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -110.91 149.25 40.13 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 30.58 110.372 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -65.72 134.34 37.48 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.7 2.267 . . . . 28.58 112.348 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.26 159.92 32.92 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.687 2.258 . . . . 20.75 112.249 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.1 m -85.29 115.88 23.31 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.119 -0.491 . . . . 29.16 110.453 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.456 HG21 HG11 ' A' ' 123' ' ' VAL . 39.0 t -115.17 138.58 45.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.342 -0.39 . . . . 20.48 110.984 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.9 ptt-85 -151.12 154.83 37.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 41.41 110.271 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.415 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 34.7 m-85 -99.73 143.28 30.15 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.208 -0.451 . . . . 16.6 110.279 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.4 t -93.23 -48.45 13.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.197 0.522 . . . . 18.03 109.788 178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.52 145.53 36.91 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.712 -0.676 . . . . 15.79 110.184 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.453 ' HA ' ' CE2' ' A' ' 148' ' ' TYR . 83.3 mttt -66.43 118.53 10.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 35.04 110.749 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.477 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 8.5 tt -136.37 136.69 48.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.523 -0.762 . . . . 14.88 110.768 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -101.46 92.72 5.04 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.937 -0.764 . . . . 14.21 108.937 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.9 ttt -132.33 138.75 47.91 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.495 -0.775 . . . . 15.6 110.169 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -63.05 100.55 0.22 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.882 0.372 . . . . 27.45 110.85 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 130.14 -7.52 6.03 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 121.12 -0.562 . . . . 23.3 112.205 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -114.39 132.53 63.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.621 0.248 . . . . 22.53 110.384 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -66.83 139.92 57.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.032 -0.531 . . . . 26.32 110.717 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -84.77 -3.95 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.176 0.806 . . . . 22.69 113.176 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.46 -54.8 2.47 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.675 -0.41 . . . . 31.16 111.411 -179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.9 p -90.96 -30.21 16.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.93 0.395 . . . . 30.09 111.537 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 87.43 13.57 65.31 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.609 -0.805 . . . . 25.64 111.661 -179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 97.2 mtp -74.91 144.81 43.12 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.229 -0.285 . . . . 38.85 110.229 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.8 t -96.57 133.91 36.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.338 -0.392 . . . . 25.28 110.79 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.603 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 14.4 t0 -77.49 124.07 27.41 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.624 -0.51 . . . . 34.12 109.624 179.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -61.99 -43.22 99.29 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.732 0.641 . . . . 29.16 112.732 -178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.607 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 26.1 ptt-85 -75.48 -9.22 58.38 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.84 -0.344 . . . . 52.63 111.733 -177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.2 m -90.01 -16.7 29.28 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.965 0.412 . . . . 34.05 110.43 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.452 HG22 HG22 ' A' ' 110' ' ' VAL . 27.7 mm -110.8 118.89 47.53 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.087 -0.506 . . . . 26.63 109.941 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -48.42 -45.27 27.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 123.535 2.823 . . . . 26.05 114.359 -178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.452 HG22 HG22 ' A' ' 108' ' ' ILE . 30.0 m -70.41 -17.13 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 112.695 0.628 . . . . 25.84 112.695 -178.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 85.1 mt -97.03 -44.85 6.81 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.822 -0.436 . . . . 23.97 109.822 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.607 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -62.56 -40.26 96.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.858 -0.61 . . . . 28.65 109.763 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.62 50.05 1.04 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.371 -0.831 . . . . 39.1 108.974 178.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 70.2 t-105 -58.88 135.25 57.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.297 -0.865 . . . . 29.08 111.997 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -115.85 143.14 45.82 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.101 -0.954 . . . . 45.36 108.889 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -72.99 -0.49 13.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.236 0.541 . . . . 37.64 110.704 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.97 6.99 46.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 26.71 110.126 178.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 11.0 m-30 -100.28 178.71 4.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.664 -0.698 . . . . 23.06 110.797 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 18.2 p -154.49 -179.11 7.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.086 -0.506 . . . . 17.53 110.413 -179.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.69 -39.85 82.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.973 0.416 . . . . 14.03 110.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -58.68 -41.61 86.61 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.755 -0.657 . . . . 24.78 110.694 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 61.7 t -60.87 -44.45 97.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.888 -0.597 . . . . 17.36 110.705 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.456 HG11 HG21 ' A' ' 85' ' ' VAL . 22.0 t -63.73 -46.26 95.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.958 -0.564 . . . . 14.42 110.492 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.77 -43.34 90.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.152 -0.476 . . . . 11.53 110.591 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -64.36 -41.28 96.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.927 -0.578 . . . . 16.85 110.787 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.94 -42.92 89.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.91 -0.586 . . . . 30.3 110.851 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 123' ' ' VAL . 97.3 mt -59.86 -45.37 92.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.207 -0.451 . . . . 14.04 110.303 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 47.5 ttt-85 -67.11 -30.71 70.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.987 0.422 . . . . 10.15 110.6 179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -66.83 -42.57 85.6 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.439 -0.578 . . . . 27.05 109.439 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.17 -11.38 60.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.668 -0.696 . . . . 17.72 111.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 59.6 mtt -79.49 -19.99 48.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.266 0.555 . . . . 18.11 109.603 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 62.2 mtm -95.68 1.46 53.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.825 -0.625 . . . . 22.93 109.89 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.411 ' HB3' ' OE1' ' A' ' 135' ' ' GLU . 49.4 m -70.58 147.34 49.35 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.784 -0.644 . . . . 25.92 110.314 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -54.2 -34.63 61.04 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 29.78 112.401 -178.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.411 ' OE1' ' HB3' ' A' ' 133' ' ' SER . 4.5 pm0 -84.83 8.02 18.81 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.866 0.691 . . . . 28.22 112.866 -178.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -136.22 -41.6 0.65 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.354 0.502 . . . . 18.41 112.354 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 22.1 ptm -52.85 -25.68 12.3 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.959 1.096 . . . . 20.97 113.959 -177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -114.86 17.41 17.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 118.03 0.377 . . . . 35.29 112.014 -178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 11.1 mt -77.69 128.83 78.49 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 120.87 -0.332 . . . . 15.71 110.359 179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.87 124.79 16.75 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.638 2.225 . . . . 19.11 111.464 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -99.99 141.71 23.27 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 116.288 -0.415 . . . . 20.51 111.1 -178.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.64 164.76 34.67 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.496 2.131 . . . . 26.0 110.987 179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_exo -43.91 118.41 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.171 2.581 . . . . 30.09 112.895 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -60.64 138.83 58.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.74 . . . . 46.96 111.1 -179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 105.21 -24.62 27.33 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.02 -0.61 . . . . 36.35 112.079 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -74.66 134.43 41.99 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.817 0.341 . . . . 36.19 110.282 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 15.8 p -114.22 161.64 17.57 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.301 -0.409 . . . . 36.38 110.817 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 90' ' ' LYS . 50.6 m-85 -78.62 -10.1 59.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.521 . . . . 44.37 110.261 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -146.94 140.2 25.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.649 -0.705 . . . . 53.87 109.788 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 17.6 m120 . . . . . 0 C--O 1.25 1.115 0 CA-C-O 118.052 -0.975 . . . . 55.71 110.61 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.478 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 25.1 ptt? . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.877 0.37 . . . . 17.17 110.219 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -86.05 121.32 28.5 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.891 -0.595 . . . . 21.89 111.835 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -121.25 171.62 9.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 108.978 -0.749 . . . . 10.83 108.978 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' B' ' 66' ' ' THR . 88.5 m-85 -129.75 132.82 46.7 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.975 -0.29 . . . . 10.61 110.618 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.436 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 24.2 t -112.01 115.57 50.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.623 -0.51 . . . . 9.13 109.623 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 82.4 tttt -107.19 115.91 31.0 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.154 -0.476 . . . . 20.55 110.543 -179.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -80.91 173.96 12.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.244 -0.435 . . . . 11.78 110.331 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.61 HD11 HG13 ' B' ' 70' ' ' VAL . 16.8 mt -68.18 -12.51 61.06 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 19.31 110.395 178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.57 -7.42 59.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 23.14 110.619 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.38 6.34 81.15 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.957 -0.639 . . . . 19.74 111.573 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -86.32 110.44 19.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.774 0.321 . . . . 21.93 110.169 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 m -96.25 116.16 28.57 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.006 -0.543 . . . . 12.33 109.861 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.436 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 45.0 pt -105.39 151.31 7.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.611 -0.268 . . . . 17.08 110.629 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -94.24 140.15 30.14 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.961 -0.385 . . . . 16.3 109.961 179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.42 143.62 31.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.752 0.311 . . . . 15.88 110.641 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -111.35 113.52 26.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.333 -0.394 . . . . 28.9 110.264 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.478 ' O ' ' HG2' ' B' ' 1' ' ' MET . 3.5 m -139.09 164.87 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.37 -0.377 . . . . 12.05 110.292 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 65.4 mm-40 -101.47 151.99 37.92 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 109.543 -0.54 . . . . 18.17 109.543 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.46 -26.75 55.45 Favored 'Trans proline' 0 CA--C 1.531 0.34 0 C-N-CA 122.696 2.264 . . . . 8.16 112.792 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 p -88.96 7.7 33.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.107 -0.497 . . . . 11.13 111.847 -179.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.558 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -80.75 139.73 35.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.815 0.341 . . . . 18.03 110.867 -179.671 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.03 147.96 31.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.081 -0.509 . . . . 10.22 110.46 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.8 mm -55.28 -34.5 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.331 0.586 . . . . 12.3 110.331 179.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -56.96 -44.33 82.5 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.224 -0.898 . . . . 36.51 111.419 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.473 ' O ' ' HG3' ' B' ' 29' ' ' LYS . 51.6 t30 -67.93 -36.17 79.68 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.784 0.326 . . . . 25.66 110.291 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -56.37 -43.47 77.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.048 -0.523 . . . . 8.12 109.727 179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -63.0 -42.47 99.86 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.566 -0.743 . . . . 15.47 110.487 179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.29 97.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.728 -0.669 . . . . 11.45 110.935 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 34.7 mtpt -66.46 -38.34 87.14 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.345 -0.389 . . . . 24.98 110.42 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.74 -39.32 84.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.059 0.457 . . . . 9.46 109.774 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -67.01 -32.65 74.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.546 . . . . 14.76 110.872 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.03 -34.93 78.78 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.199 -0.455 . . . . 26.29 111.981 -178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 8.4 ptpt -99.79 -48.94 4.53 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.912 0.708 . . . . 30.06 112.912 -178.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -82.53 -39.06 22.89 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.058 -0.257 . . . . 25.19 111.598 -178.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.81 38.56 5.47 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 7.41 112.744 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 55.5 mt -111.84 122.33 37.38 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 110.118 -0.327 . . . . 9.49 110.118 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.425 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 49.2 Cg_exo -55.17 132.41 52.12 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.753 2.302 . . . . 11.42 112.149 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 49.2 Cg_exo -57.13 -32.19 92.64 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.9 2.4 . . . . 12.0 112.166 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.09 -32.07 73.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.773 -0.649 . . . . 35.55 110.9 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.416 ' HA ' ' HB3' ' B' ' 72' ' ' ARG . 0.0 OUTLIER -95.75 13.68 25.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.131 -0.486 . . . . 20.52 110.358 -179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' B' ' 37' ' ' PRO . 61.1 mt-30 -104.8 113.74 27.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.998 -0.546 . . . . 7.13 111.024 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 24.5 ttp180 -119.5 97.13 5.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.612 -0.885 . . . . 36.39 108.612 178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.663 ' HB3' HD12 ' B' ' 50' ' ' LEU . 18.4 mt -78.93 129.0 34.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.952 -0.567 . . . . 9.55 111.869 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mm -122.73 130.22 74.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.392 -0.822 . . . . 13.9 109.481 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.637 ' HB3' HD21 ' B' ' 50' ' ' LEU . 78.2 t80 -152.51 139.8 19.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.59 0.233 . . . . 6.86 111.008 -179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.85 28.02 13.85 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 115.701 -0.681 . . . . 11.15 112.317 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.06 25.57 70.93 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.799 -0.715 . . . . 13.93 112.826 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -142.21 151.88 42.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.677 0.275 . . . . 0.0 110.265 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -80.46 132.52 35.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.034 -0.53 . . . . 23.23 110.39 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' B' ' 43' ' ' LEU . 34.2 mt -85.17 93.89 8.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.165 0.507 . . . . 9.11 110.119 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -59.97 142.94 52.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.263 -0.88 . . . . 33.44 111.713 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.02 -47.85 81.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.445 -0.798 . . . . 28.37 111.906 -179.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.29 42.86 2.94 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.174 -0.536 . . . . 15.0 113.797 -178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.487 ' HD3' ' CG ' ' B' ' 58' ' ' ASP . 5.9 mmp_? -136.54 162.23 33.67 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.81 -0.441 . . . . 25.5 109.81 179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 62.9 p -105.77 174.99 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.583 0.23 . . . . 11.95 110.464 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.41 ' HB3' ' HB ' ' B' ' 61' ' ' ILE . 58.2 mt -68.28 -30.68 69.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.409 . . . . 10.17 110.919 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -25.09 66.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.042 -0.527 . . . . 13.59 111.639 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.487 ' CG ' ' HD3' ' B' ' 54' ' ' ARG . 5.6 m-20 -62.73 -29.33 70.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 11.7 111.826 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -117.55 14.35 14.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.386 -0.37 . . . . 12.95 111.064 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 55.34 46.15 24.05 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.557 0.694 . . . . 25.45 110.998 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' B' ' 56' ' ' LEU . 85.1 mt -84.61 106.84 15.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.795 -0.639 . . . . 14.6 109.972 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -101.54 -166.46 1.3 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.926 -0.579 . . . . 33.23 109.725 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -71.32 155.31 40.82 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.39 -0.226 . . . . 25.97 110.39 179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 70.93 -8.65 0.93 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.382 0.673 . . . . 32.61 112.793 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.9 m -61.34 123.96 19.26 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.822 0.344 . . . . 10.56 110.672 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -88.86 93.3 9.54 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.939 -0.573 . . . . 5.33 111.404 -179.812 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.8 mt -73.63 139.66 45.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.23 -1.026 . . . . 11.66 108.23 178.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.414 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 97.3 m-70 -102.08 116.09 31.95 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.291 -0.564 . . . . 16.3 110.809 -178.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 58.9 tp -92.46 106.48 18.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.643 -0.708 . . . . 9.96 110.438 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.61 HG13 HD11 ' B' ' 8' ' ' LEU . 47.0 t -99.07 124.26 52.22 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.535 -0.757 . . . . 9.76 109.467 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 6.3 mp -63.26 127.32 30.72 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.919 0.39 . . . . 19.57 110.748 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.416 ' HB3' ' HA ' ' B' ' 40' ' ' GLN . 26.1 ttp85 -82.83 95.11 7.82 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.494 -0.928 . . . . 35.08 108.494 178.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 32.6 mt -59.07 108.35 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.236 -0.893 . . . . 32.31 111.791 -178.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -119.28 112.4 19.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 42.75 109.878 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 103.03 80.01 1.42 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.551 -0.833 . . . . 36.31 111.88 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.978 0 CA-C-O 119.002 -0.888 . . . . 36.27 111.399 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.218 -0.289 . . . . 51.18 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -69.91 105.2 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.851 0.358 . . . . 52.33 110.269 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 12.3 t -60.52 -49.63 89.19 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.886 -0.597 . . . . 45.08 111.802 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 51.8 Cg_exo -56.21 -39.16 93.02 Favored 'Trans proline' 0 C--N 1.358 1.074 0 C-N-CA 121.953 1.769 . . . . 40.03 112.219 179.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.5 ttt-85 -68.56 -45.66 71.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 35.39 110.377 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -62.13 -45.28 94.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 39.28 109.855 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -59.19 -41.37 88.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.597 -0.728 . . . . 39.58 109.932 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 -58.72 -48.92 79.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.681 -0.69 . . . . 38.87 110.683 179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.419 HD13 ' HB2' ' A' ' 48' ' ' LEU . 50.2 mt -60.86 -37.08 80.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.131 -0.486 . . . . 22.45 111.017 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.66 -28.86 68.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.335 -0.393 . . . . 25.03 110.996 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -80.97 -50.23 9.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.415 -0.357 . . . . 36.37 110.781 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.523 ' OE1' ' HB2' ' A' ' 119' ' ' SER . 8.6 mt-10 -59.9 -24.78 64.58 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.936 -0.575 . . . . 25.08 111.016 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 55.5 tp -61.33 -52.51 64.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.217 -0.447 . . . . 28.37 110.652 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -70.02 -28.47 65.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.821 0.343 . . . . 45.48 110.47 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -62.49 -43.74 98.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.18 -0.464 . . . . 35.52 110.271 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.02 -37.17 56.48 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.953 -0.642 . . . . 31.25 112.799 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 28' ' ' GLN . 16.1 mt-30 -72.29 -7.43 49.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.876 0.369 . . . . 42.74 111.8 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -122.61 3.0 9.6 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.81 0.338 . . . . 47.38 110.42 178.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.443 ' HA3' ' CD2' ' B' ' 68' ' ' HIS . . . 57.85 42.75 94.8 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.804 -0.635 . . . . 34.95 112.211 -179.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.4 t -77.79 101.55 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.691 0.282 . . . . 28.2 111.307 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -178.08 -131.83 1.61 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 121.092 -0.575 . . . . 22.15 111.851 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.33 -23.06 61.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.0 0.429 . . . . 15.15 110.404 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.56 -12.29 13.76 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.888 -0.672 . . . . 12.29 112.999 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.564 HG22 HD22 ' B' ' 8' ' ' LEU . 81.6 p -115.33 -42.72 3.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.932 0.366 . . . . 13.75 111.897 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 27.6 m -65.48 137.82 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.165 0.507 . . . . 14.12 111.594 -179.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 m -141.15 138.92 33.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 14.51 110.297 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.409 ' CH2' ' HB2' ' A' ' 121' ' ' LYS . 5.9 p90 -152.2 170.72 19.31 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.558 -0.534 . . . . 16.01 109.558 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 173.82 178.68 43.94 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.93 -1.128 . . . . 16.67 112.911 179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.95 125.1 29.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.985 0.421 . . . . 25.73 110.392 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HB2' ' OG1' ' A' ' 52' ' ' THR . 40.3 tt0 -93.1 -33.02 14.23 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.109 -0.496 . . . . 44.86 110.575 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 2.8 m-20 -62.13 -57.67 10.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.555 -0.748 . . . . 55.38 111.672 -179.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 4.4 t70 73.1 -49.82 0.7 Allowed 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 123.234 0.614 . . . . 59.05 111.16 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -76.66 -7.22 54.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.153 0.501 . . . . 62.12 110.626 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -102.29 119.33 38.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.863 -0.608 . . . . 57.57 109.901 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 60.6 mtt -91.55 6.85 44.06 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.163 -0.471 . . . . 49.86 112.187 -178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 81.2 p -86.4 -22.64 26.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.429 -0.508 . . . . 34.17 110.842 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' HB2' HD13 ' A' ' 20' ' ' LEU . 3.0 mp 55.18 61.23 3.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.249 0.547 . . . . 26.52 110.112 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.0 m -105.9 -45.35 4.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.884 -0.598 . . . . 22.44 112.036 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 50' ' ' ARG . 20.9 mtm180 -95.59 110.24 22.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.111 0.481 . . . . 40.81 110.785 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 60.5 m95 -108.14 138.68 44.0 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.796 -0.638 . . . . 18.23 110.56 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.432 ' OG1' ' HB2' ' A' ' 41' ' ' GLU . 18.4 m -99.43 122.31 42.36 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.916 -0.583 . . . . 26.25 109.947 179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -115.52 142.32 17.51 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.603 -0.808 . . . . 14.96 111.705 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 8.3 ttp -131.98 125.8 32.43 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.781 0.324 . . . . 21.59 110.258 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.8 mt -115.95 122.28 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.099 0.476 . . . . 12.92 110.643 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.443 HG21 HG11 ' B' ' 70' ' ' VAL . 2.2 pt -87.53 128.12 40.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.791 -0.64 . . . . 12.18 109.443 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.615 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -56.65 129.91 49.49 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 116.114 -0.494 . . . . 13.21 113.343 -178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 26.3 Cg_exo -63.11 144.28 92.11 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.743 2.295 . . . . 14.44 112.081 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 23.8 Cg_exo -65.43 153.21 79.25 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.538 2.158 . . . . 17.43 112.31 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 69.0 24.24 6.31 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.52 -0.764 . . . . 32.61 112.251 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 23.1 p -129.6 -177.31 4.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.744 -0.465 . . . . 17.94 109.744 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -77.76 -0.41 26.91 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.089 0.471 . . . . 18.91 110.189 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.615 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 9.6 m-85 -113.14 16.48 19.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 16.86 110.883 -179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -57.9 119.98 7.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.891 0.377 . . . . 37.17 111.675 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.7 t30 69.98 15.11 7.81 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.104 -0.953 . . . . 30.81 111.851 179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -91.59 145.83 24.28 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.968 -0.382 . . . . 25.62 109.968 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 78.4 mt -118.91 110.51 30.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.185 -0.461 . . . . 19.36 109.828 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.435 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 51.2 m-85 -102.7 130.94 49.79 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 120.91 0.386 . . . . 12.92 111.011 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.47 136.15 38.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.663 -0.699 . . . . 13.09 110.45 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.4 mp -128.08 149.8 50.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.057 -0.519 . . . . 13.47 111.066 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -116.85 114.9 24.56 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.766 -0.652 . . . . 33.44 109.36 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -111.48 117.06 54.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.803 0.335 . . . . 19.18 110.266 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -109.44 114.27 27.78 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.038 -0.528 . . . . 42.22 110.276 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 78.7 m -80.85 106.53 12.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.862 -0.608 . . . . 25.59 110.946 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.87 170.11 33.49 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.812 -0.631 . . . . 26.42 112.812 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.42 -25.37 80.28 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 123.201 2.6 . . . . 31.44 113.163 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -90.61 7.6 38.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.612 -0.267 . . . . 44.64 111.468 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 85.0 t80 -71.73 140.79 84.21 Favored Pre-proline 0 C--N 1.327 -0.387 0 N-CA-C 109.287 -0.634 . . . . 29.6 109.287 178.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . 87.0 Cg_endo -98.05 21.86 24.92 Favored 'Cis proline' 0 N--CA 1.458 -0.583 0 C-N-CA 124.549 -1.021 . . . . 27.94 113.116 0.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -71.13 -29.26 65.01 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.107 0.48 . . . . 36.76 110.094 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -120.7 154.8 57.37 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 115.715 -0.675 . . . . 30.58 109.985 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.91 132.39 28.16 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.692 2.261 . . . . 28.58 112.323 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -76.57 170.96 18.92 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.912 2.408 . . . . 20.75 112.428 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.41 114.52 21.96 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.262 -0.427 . . . . 29.16 110.395 179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.5 t -119.05 133.31 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.398 -0.364 . . . . 20.48 110.567 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -152.59 154.37 35.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.273 -0.421 . . . . 41.41 110.536 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.46 146.96 23.71 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.124 -0.489 . . . . 16.6 110.431 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.19 -41.84 11.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.215 0.531 . . . . 18.03 109.695 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.43 143.51 29.37 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.621 -0.718 . . . . 15.79 110.167 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 94.1 mttt -67.81 117.52 9.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 35.04 110.773 -179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.435 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 6.8 tt -136.56 130.65 47.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.947 -0.569 . . . . 14.88 111.057 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -88.88 91.86 8.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.133 -0.691 . . . . 14.21 109.133 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 27.7 ttt -129.8 147.2 51.55 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.894 -0.594 . . . . 15.6 110.391 -179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 51.3 t30 -70.23 105.07 2.83 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.322 -0.399 . . . . 27.45 111.039 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.21 -4.75 13.64 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.675 -0.774 . . . . 23.3 112.443 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -112.28 125.4 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.991 -0.374 . . . . 22.53 109.991 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -65.17 129.01 38.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.972 -0.558 . . . . 26.32 110.216 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -78.96 -5.94 55.05 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.997 0.74 . . . . 22.69 112.997 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.2 m -98.74 -57.81 2.1 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 120.9 -0.32 . . . . 31.16 111.677 -179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 2.9 p -93.86 -24.43 17.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 111.845 0.313 . . . . 30.09 111.845 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.34 63.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.668 -0.777 . . . . 25.64 112.04 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 82.3 mtp -75.92 140.85 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.863 0.363 . . . . 38.85 110.914 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.31 125.46 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 25.28 110.389 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.518 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 47.6 t0 -75.0 117.69 17.13 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.314 -0.403 . . . . 34.12 110.218 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.13 -37.15 84.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.814 -0.63 . . . . 29.16 112.641 -178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.518 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 28.6 ptt-85 -78.07 -4.37 46.94 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.647 -0.421 . . . . 52.63 111.707 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.6 m -101.56 -4.02 27.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.189 0.518 . . . . 34.05 110.27 178.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 26.8 mm -120.83 117.07 31.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.145 -0.687 . . . . 26.63 109.145 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_exo -47.67 -49.42 13.52 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 123.316 2.678 . . . . 26.05 114.252 -178.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.411 HG22 ' HG2' ' A' ' 126' ' ' GLU . 32.9 m -68.89 -18.15 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.673 0.62 . . . . 25.84 112.673 -178.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -94.64 -36.27 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.945 0.402 . . . . 23.97 110.035 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.81 -42.78 73.25 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.986 -0.552 . . . . 28.65 109.868 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -110.76 45.5 1.14 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.637 -0.711 . . . . 39.1 109.405 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.2 t-105 -58.24 137.07 57.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.12 -0.946 . . . . 29.08 111.739 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -121.43 154.53 36.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.437 -0.801 . . . . 45.36 109.389 178.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -65.87 -15.03 62.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.166 0.508 . . . . 37.64 110.7 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.38 2.27 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.813 -0.631 . . . . 26.71 111.056 179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -91.04 169.15 11.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.897 0.38 . . . . 23.06 110.59 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.523 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 57.2 p -153.09 -176.62 5.86 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.942 -0.572 . . . . 17.53 110.436 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 6.2 mt -59.09 -44.51 91.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.257 0.551 . . . . 14.03 110.532 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.409 ' HB2' ' CH2' ' A' ' 38' ' ' TRP . 17.2 ttpt -60.43 -40.1 89.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.279 -0.873 . . . . 24.78 111.612 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.5 t -57.67 -43.16 83.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 17.36 110.861 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.8 t -67.29 -47.06 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.245 -0.434 . . . . 14.42 110.821 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.73 -44.31 90.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 11.53 111.407 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -63.6 -40.39 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.854 0.359 . . . . 16.85 110.715 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 129' ' ' ARG . 7.1 tp10 -65.92 -45.08 83.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.959 -0.564 . . . . 30.3 110.709 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.38 -45.45 91.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.946 -0.57 . . . . 14.04 111.081 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 128' ' ' ARG . 29.6 ttt180 -66.26 -30.09 70.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 10.15 110.443 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 126' ' ' GLU . 68.5 ttp85 -68.92 -41.56 77.99 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.6 -0.519 . . . . 27.05 109.6 179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 31.6 mt -69.3 -19.06 63.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.696 -0.684 . . . . 17.72 110.728 179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 62.5 mtt -74.45 -25.14 59.23 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.658 -0.497 . . . . 18.11 109.658 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 51.2 mtm -85.95 -10.05 55.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.911 -0.586 . . . . 22.93 110.167 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 32.3 m -66.81 140.25 57.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.888 -0.597 . . . . 25.92 110.022 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -54.3 -28.48 42.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.153 0.502 . . . . 29.78 111.858 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -71.71 -13.03 61.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.89 -0.595 . . . . 28.22 112.424 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -128.25 -36.46 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.116 0.413 . . . . 18.41 112.116 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 7.5 ptm -56.39 -26.65 53.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.834 0.679 . . . . 20.97 112.834 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 22.6 mmtm -111.88 31.24 6.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.892 0.377 . . . . 35.29 111.588 -179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 18.7 mt -99.06 126.15 39.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.492 -0.322 . . . . 15.71 110.351 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.5 129.16 33.65 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.67 2.247 . . . . 19.11 111.109 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -107.41 143.55 27.43 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 116.544 -0.298 . . . . 20.51 111.621 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -67.73 167.15 21.95 Favored 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.949 2.433 . . . . 26.0 111.312 179.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_exo -41.97 127.38 3.77 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 123.34 2.694 . . . . 30.09 112.992 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -62.37 121.86 14.25 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.2 -0.909 . . . . 46.96 111.345 -178.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 113.15 -9.61 24.83 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.529 -0.843 . . . . 36.35 112.621 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 66.1 mt-30 -74.16 133.93 42.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.364 . . . . 36.19 110.865 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 1.5 p -118.02 154.96 31.14 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.259 -0.428 . . . . 36.38 110.61 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 61.6 m-85 -72.24 -16.54 61.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.137 0.494 . . . . 44.37 110.532 179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -140.55 162.24 35.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 53.87 109.52 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.214 -0.898 . . . . 55.71 110.532 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.492 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 26.2 ptt? . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 120.772 0.32 . . . . 17.17 110.215 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 27.4 tt0 -96.18 129.8 43.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.129 0.49 . . . . 21.89 111.542 -179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.7 pt -130.92 165.8 30.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.706 -0.679 . . . . 10.83 109.218 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.51 ' O ' ' HA ' ' B' ' 66' ' ' THR . 93.2 m-85 -121.18 140.44 52.01 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.604 0.24 . . . . 10.61 110.615 -179.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.435 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 38.3 t -116.99 118.51 59.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.65 -0.5 . . . . 9.13 109.65 179.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 31.7 tttm -111.29 123.58 50.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.423 -0.353 . . . . 20.55 110.705 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -80.39 -177.65 6.27 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.17 -0.468 . . . . 11.78 111.147 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.62 HD21 HG22 ' B' ' 70' ' ' VAL . 40.7 mt -79.42 -20.46 47.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.354 0.597 . . . . 19.31 110.078 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.12 -37.99 61.23 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.549 -0.75 . . . . 23.14 110.175 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 136.78 -29.7 2.73 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.598 -0.728 . . . . 19.74 111.64 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tttm -51.12 132.73 28.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.042 0.537 . . . . 21.93 111.79 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' B' ' 5' ' ' VAL . 1.8 m -123.49 123.36 40.46 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.647 -0.706 . . . . 12.33 109.969 179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.435 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 30.7 pt -111.74 155.95 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.909 0.385 . . . . 17.08 111.351 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -95.84 132.17 41.38 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.864 -0.607 . . . . 16.3 109.754 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 tp -130.57 137.43 49.68 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.926 0.393 . . . . 15.88 110.628 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -113.06 106.54 14.8 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.9 -0.591 . . . . 28.9 109.761 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.492 ' O ' ' HG2' ' B' ' 1' ' ' MET . 6.6 m -139.15 164.43 25.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.088 -0.506 . . . . 12.05 110.335 -179.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 79.5 mm-40 -98.93 154.8 37.18 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 109.262 -0.644 . . . . 18.17 109.262 179.119 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.19 -24.67 75.03 Favored 'Trans proline' 0 N--CA 1.473 0.286 0 C-N-CA 122.294 1.996 . . . . 8.16 112.169 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -86.14 1.96 48.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.737 -0.665 . . . . 11.13 111.37 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.584 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -75.2 150.44 38.65 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.963 0.411 . . . . 18.03 111.16 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.439 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 p -92.36 149.6 21.33 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.794 -0.639 . . . . 10.22 110.195 179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 49.3 mm -57.97 -32.08 42.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.911 0.386 . . . . 12.3 110.352 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.25 -43.18 99.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.048 -0.523 . . . . 36.51 110.337 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -72.42 -32.32 66.23 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.875 0.369 . . . . 25.66 110.043 179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 22' ' ' THR . 70.7 t -60.52 -45.28 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.928 -0.578 . . . . 8.12 109.662 178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -65.18 -33.23 75.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.606 -0.725 . . . . 15.47 110.411 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.92 94.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.657 -0.702 . . . . 11.45 110.458 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' B' ' 33' ' ' LYS . 60.9 mttt -68.84 -35.5 77.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.03 -0.532 . . . . 24.98 110.18 179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 74.2 mt -66.1 -45.27 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 N-CA-C 109.84 -0.43 . . . . 9.46 109.84 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -63.48 -33.01 74.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.253 0.549 . . . . 14.76 110.347 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -65.33 -22.97 66.89 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.356 -0.838 . . . . 26.29 112.489 -178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.417 ' HG2' ' O ' ' B' ' 29' ' ' LYS . 14.0 ptpt -119.07 -39.47 2.92 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.962 0.727 . . . . 30.06 112.962 -179.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -85.78 -29.27 23.96 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.836 0.31 . . . . 25.19 111.836 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.71 12.04 69.84 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.462 -0.875 . . . . 7.41 112.942 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.75 121.37 64.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 N-CA-C 110.268 -0.271 . . . . 9.49 110.268 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 33.9 Cg_exo -60.17 133.35 49.35 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.8 2.334 . . . . 11.42 112.527 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.7 Cg_exo -57.53 -19.14 35.3 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.065 2.51 . . . . 12.0 112.509 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -55.03 -43.3 73.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.729 -0.669 . . . . 35.55 111.98 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -104.02 14.68 30.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.346 -0.388 . . . . 20.52 111.501 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -91.01 127.66 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.534 -0.303 . . . . 7.13 110.696 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.636 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.7 ttp180 -137.79 111.03 7.87 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.973 -0.751 . . . . 36.39 108.973 178.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 32.8 mt -94.03 131.65 39.3 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.192 -0.458 . . . . 9.55 111.481 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.18 131.07 70.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.514 -0.766 . . . . 13.9 109.416 179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.613 ' HB3' HD21 ' B' ' 50' ' ' LEU . 62.9 t80 -139.55 126.36 20.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.722 -0.217 . . . . 6.86 111.162 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.66 29.92 14.55 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.807 -0.633 . . . . 11.15 112.545 178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.97 8.77 85.31 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.756 -0.735 . . . . 13.93 112.735 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -119.58 144.06 47.29 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -86.74 134.96 33.54 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.172 -0.467 . . . . 23.23 110.118 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.613 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.6 mt -91.2 115.52 28.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.459 -0.337 . . . . 9.11 110.92 -179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -76.82 140.94 40.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.458 -0.337 . . . . 33.44 110.383 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -55.54 -44.05 76.37 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.981 0.734 . . . . 28.37 112.981 -178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.61 -6.58 86.92 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.73 -0.748 . . . . 15.0 113.858 -178.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -92.01 167.31 12.19 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 117.241 0.521 . . . . 25.5 110.902 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 33.1 p -104.14 174.38 5.9 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.868 -0.605 . . . . 11.95 110.992 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.413 ' HA ' HD12 ' B' ' 61' ' ' ILE . 87.6 mt -67.69 -38.14 83.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 10.17 110.616 179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -22.56 65.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.911 -0.586 . . . . 13.59 111.562 -179.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -64.18 -25.62 68.16 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.942 0.401 . . . . 11.7 111.678 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -116.38 15.75 15.74 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.339 -0.391 . . . . 12.95 111.079 -179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 60.16 39.22 19.65 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.677 0.611 . . . . 25.45 111.141 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' B' ' 56' ' ' LEU . 79.6 mt -78.89 121.06 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.914 -0.402 . . . . 14.6 109.914 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -105.4 174.24 5.96 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.925 -0.579 . . . . 33.23 110.337 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' B' ' 64' ' ' GLU . 13.3 pttp -75.43 162.79 28.05 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.699 -0.482 . . . . 25.97 109.699 178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 63' ' ' LYS . 2.6 mp0 70.49 2.16 3.95 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.463 0.477 . . . . 32.61 111.593 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 15.3 m -81.75 158.53 24.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.662 0.268 . . . . 10.56 110.4 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.51 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 5.1 m -119.59 104.19 10.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.168 0.508 . . . . 5.33 110.749 -179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 19.7 mt -79.77 141.03 36.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.767 -0.651 . . . . 11.66 109.375 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.443 ' CD2' ' HA3' ' A' ' 30' ' ' GLY . 2.7 m-70 -96.64 121.97 39.06 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.84 0.352 . . . . 16.3 110.653 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 33.2 tp -89.49 92.76 9.24 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.326 0.584 . . . . 9.96 110.269 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.636 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 61.3 t -93.37 93.79 4.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.397 -0.82 . . . . 9.76 109.438 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 5.3 mp -54.3 139.95 34.77 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.273 0.559 . . . . 19.57 111.42 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.544 ' HA ' ' NH2' ' B' ' 42' ' ' ARG . 13.3 ttp180 -84.31 123.88 30.65 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.38 -0.827 . . . . 35.08 110.318 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.85 98.61 4.23 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.083 -0.508 . . . . 32.31 110.396 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -97.67 94.29 6.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.007 -0.542 . . . . 42.75 109.825 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.03 -169.34 33.42 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.862 -0.685 . . . . 36.31 111.753 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.788 -1.007 . . . . 36.27 111.844 -179.927 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.9 t . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.96 -0.385 . . . . 51.18 109.96 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -60.22 112.59 1.97 Allowed 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.308 -0.406 . . . . 52.33 111.059 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.529 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 15.8 t -72.96 -51.77 6.08 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 115.942 -0.572 . . . . 45.08 111.709 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.529 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 52.8 Cg_exo -55.4 -39.44 91.0 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.936 1.757 . . . . 40.03 112.212 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 63.3 ttt-85 -64.73 -51.1 64.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.798 -0.637 . . . . 35.39 110.503 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -40.28 89.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.133 -0.485 . . . . 39.28 110.325 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -61.01 -48.6 81.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.127 -0.488 . . . . 39.58 110.251 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 tpp85 -62.06 -43.5 98.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.822 -0.626 . . . . 38.87 110.75 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD13 ' HB2' ' A' ' 48' ' ' LEU . 88.7 mt -59.89 -37.39 79.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.059 -0.518 . . . . 22.45 110.987 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.1 mt -67.49 -31.96 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 25.03 110.384 179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -72.85 -38.81 66.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 36.37 109.937 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.412 ' OE2' ' HB2' ' A' ' 119' ' ' SER . 6.8 mm-40 -60.33 -31.22 70.09 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 115.836 -0.62 . . . . 25.08 110.266 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.04 -48.05 75.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.801 -0.636 . . . . 28.37 110.223 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -64.84 -40.12 94.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 45.48 110.219 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -59.97 -36.82 77.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 35.52 110.435 179.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -70.48 -39.78 68.72 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 121.173 -0.537 . . . . 31.25 112.454 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -72.96 -13.92 61.34 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.128 0.49 . . . . 42.74 111.086 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -100.13 -35.37 9.69 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.987 -0.551 . . . . 47.38 110.198 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.411 ' HA3' ' NE2' ' B' ' 68' ' ' HIS . . . 69.92 49.67 33.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 111.281 -0.728 . . . . 34.95 111.281 -179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 6.5 t -75.92 150.37 6.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.819 0.343 . . . . 28.2 110.841 -179.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 116.47 -130.42 8.97 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.839 -0.696 . . . . 22.15 111.804 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -60.34 -41.07 92.85 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.79 0.328 . . . . 15.15 110.557 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.14 -11.07 55.32 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.68 -0.771 . . . . 12.29 113.158 179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.3 p -92.11 -52.19 4.82 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.127 0.489 . . . . 13.75 110.853 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.0 m -76.99 152.27 5.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.874 -0.603 . . . . 14.12 111.028 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.6 m -155.05 153.74 31.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.981 -0.554 . . . . 14.51 109.614 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.401 ' HB3' HD11 ' A' ' 124' ' ' LEU . 21.2 p90 -143.32 170.16 16.28 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.174 -0.306 . . . . 16.01 110.174 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -163.59 173.85 39.73 Favored Glycine 0 N--CA 1.445 -0.749 0 C-N-CA 120.731 -0.747 . . . . 16.67 112.195 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.556 HD11 HD23 ' A' ' 48' ' ' LEU . 6.1 mt -80.4 119.16 22.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.65 0.262 . . . . 25.73 111.101 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -91.92 -7.8 48.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.802 -0.814 . . . . 44.86 108.802 178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.447 ' HB2' HD22 ' A' ' 40' ' ' LEU . 1.1 m-20 -69.24 -35.85 76.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.034 -0.985 . . . . 55.38 109.888 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t0 57.41 -80.79 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.544 0 O-C-N 124.258 0.974 . . . . 59.05 113.461 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -83.84 -26.28 29.62 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.772 0.32 . . . . 62.12 111.658 -178.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -78.95 118.77 21.27 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.342 -0.614 . . . . 57.57 109.342 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 28.3 mtt -93.77 20.5 7.52 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.049 0.759 . . . . 49.86 113.049 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.6 p -82.86 -18.3 40.82 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.657 -0.497 . . . . 34.17 109.657 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 HD11 ' A' ' 40' ' ' LEU . 1.4 mp 58.47 57.43 3.84 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.377 -0.829 . . . . 26.52 110.848 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.73 -37.95 5.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.009 -0.542 . . . . 22.44 111.613 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -97.82 105.43 17.58 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.071 0.463 . . . . 40.81 110.908 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -111.51 142.45 43.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.646 . . . . 18.23 110.022 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -108.33 132.85 53.3 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.244 -0.65 . . . . 26.25 109.244 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 146.02 18.16 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.227 -0.749 . . . . 14.96 111.227 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 5.5 ttp -133.31 129.97 38.27 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.113 0.482 . . . . 21.59 111.053 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -125.56 118.49 52.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.531 -0.758 . . . . 12.92 110.116 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 pt -82.86 129.71 36.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.009 -0.541 . . . . 12.18 109.632 178.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.707 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.82 125.31 34.85 Favored Glycine 0 N--CA 1.446 -0.683 0 O-C-N 123.649 0.593 . . . . 13.21 112.631 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 27.4 Cg_exo -61.94 142.6 93.56 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.773 2.316 . . . . 14.44 112.289 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 34.1 Cg_exo -61.77 150.66 84.95 Favored 'Trans proline' 0 N--CA 1.464 -0.243 0 C-N-CA 122.326 2.017 . . . . 17.43 111.939 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 73.28 -4.73 2.12 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 112.765 0.654 . . . . 32.61 112.765 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 16.7 p -100.21 175.53 5.69 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.971 -0.381 . . . . 17.94 109.971 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -75.81 -4.14 38.95 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.853 0.358 . . . . 18.91 111.009 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.707 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 8.4 m-85 -103.42 4.55 36.3 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.928 -0.397 . . . . 16.86 109.928 179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 65' ' ' ASN . 40.9 tt0 -49.32 124.46 9.19 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.734 0.642 . . . . 37.17 112.734 -178.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 64' ' ' GLU . 69.2 m-80 76.89 -5.83 2.12 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 114.917 -1.038 . . . . 30.81 113.315 178.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -79.33 136.15 36.93 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 25.62 111.287 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 80.2 mt -104.5 100.89 11.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.008 -0.738 . . . . 19.36 109.008 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.686 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 29.1 m-85 -96.54 136.35 37.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.992 -0.549 . . . . 12.92 111.746 -178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -113.97 147.47 38.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.472 -0.786 . . . . 13.09 110.08 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.2 mp -132.12 151.1 51.96 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.018 -0.537 . . . . 13.47 110.954 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.8 mmtt -104.06 115.53 30.59 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.648 -0.871 . . . . 33.44 108.648 177.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 55.3 t -111.24 125.49 68.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.055 0.455 . . . . 19.18 110.742 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 89.7 mt-10 -120.27 111.1 17.37 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.001 -0.545 . . . . 42.22 110.54 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 63.8 m -81.21 117.07 21.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.758 -0.655 . . . . 25.59 110.054 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.1 173.86 52.34 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.118 -0.563 . . . . 26.42 112.979 -178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -63.51 -16.57 55.45 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 123.224 2.616 . . . . 31.44 112.972 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' HB2' ' HB3' ' A' ' 81' ' ' ALA . 72.5 mttt -100.06 13.73 33.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.627 -0.261 . . . . 44.64 111.436 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.501 ' CD1' ' HA ' ' A' ' 79' ' ' PRO . 36.5 t80 -72.31 140.5 82.48 Favored Pre-proline 0 C--N 1.327 -0.396 0 N-CA-C 109.876 -0.416 . . . . 29.6 109.876 179.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.501 ' HA ' ' CD1' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -98.23 19.61 27.02 Favored 'Cis proline' 0 N--CA 1.457 -0.634 0 C-N-CA 124.728 -0.947 . . . . 27.94 113.104 0.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -67.35 -37.92 84.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.161 0.505 . . . . 36.76 110.178 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 77' ' ' LYS . . . -108.66 149.29 39.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.531 -0.759 . . . . 30.58 110.443 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -64.49 135.08 44.25 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.667 2.245 . . . . 28.58 112.481 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -78.94 158.89 27.45 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.972 2.448 . . . . 20.75 112.54 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.77 116.53 19.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 29.16 110.28 179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.9 t -121.1 132.56 70.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.865 0.364 . . . . 20.48 110.707 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.8 ptt-85 -144.66 146.32 32.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.303 -0.408 . . . . 41.41 110.159 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -82.95 144.59 29.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.896 0.379 . . . . 16.6 111.059 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 46.4 t -95.24 -47.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.142 -0.481 . . . . 18.03 109.789 178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.486 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.1 OUTLIER -84.24 149.63 25.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.867 -0.606 . . . . 15.79 110.723 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 96.4 mttt -66.69 119.92 12.59 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.822 0.344 . . . . 35.04 111.347 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.686 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 15.3 tt -141.23 131.46 26.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.995 -0.548 . . . . 14.88 110.987 -179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -97.36 85.23 3.61 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.133 -0.692 . . . . 14.21 109.133 179.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 25.9 ttt -124.77 137.98 54.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.349 -0.842 . . . . 15.6 109.757 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -60.53 113.22 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.032 0.444 . . . . 27.45 111.08 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.95 -10.8 20.73 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.756 -0.656 . . . . 23.3 112.046 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp -108.02 128.4 63.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 120.799 0.333 . . . . 22.53 110.513 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -72.03 132.06 43.74 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.137 -0.483 . . . . 26.32 109.839 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.8 p-10 -86.42 6.82 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.217 0.821 . . . . 22.69 113.217 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 m -98.24 -62.48 1.24 Allowed 'General case' 0 C--N 1.323 -0.581 0 O-C-N 122.084 -0.385 . . . . 31.16 110.715 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.74 -16.23 16.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.311 -0.404 . . . . 30.09 111.108 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 91.15 12.44 60.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.615 -0.802 . . . . 25.64 112.363 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 62.6 mtp -65.82 131.04 45.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.848 0.356 . . . . 38.85 111.237 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.9 t -89.26 125.48 42.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.686 -0.486 . . . . 25.28 109.686 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -74.65 110.79 9.23 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.777 -0.453 . . . . 34.12 109.777 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -58.49 -39.01 78.84 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.696 0.628 . . . . 29.16 112.696 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 1.0 OUTLIER -71.57 -11.99 61.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.715 0.293 . . . . 52.63 111.641 -178.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 51.0 m -95.52 -4.35 44.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.765 0.317 . . . . 34.05 111.027 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.8 mm -116.87 120.78 33.61 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.843 -0.429 . . . . 26.63 109.843 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -49.18 -47.79 20.75 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 123.459 2.773 . . . . 26.05 114.162 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 28.2 m -74.21 -14.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 N-CA-C 112.907 0.706 . . . . 25.84 112.907 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.8 mt -99.05 -38.19 9.06 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.731 -0.387 . . . . 23.97 110.486 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.417 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -69.55 -44.43 70.95 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.272 0.558 . . . . 28.65 109.945 179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -108.35 40.9 1.67 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.455 -0.793 . . . . 39.1 109.384 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -55.44 128.26 33.48 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.097 -0.956 . . . . 29.08 111.986 -179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -110.5 152.7 26.05 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.96 -1.018 . . . . 45.36 108.845 178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -68.16 -8.36 37.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.179 0.514 . . . . 37.64 110.514 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -2.39 58.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.708 -0.678 . . . . 26.71 110.677 179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -93.47 170.9 9.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.925 -0.579 . . . . 23.06 110.421 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.412 ' HB2' ' OE2' ' A' ' 23' ' ' GLU . 11.3 p -159.43 -179.91 8.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.946 -0.57 . . . . 17.53 109.996 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.1 mt -55.92 -34.67 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-O 121.17 0.509 . . . . 14.03 110.652 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -56.89 -49.3 75.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.381 -0.827 . . . . 24.78 110.997 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.4 -41.18 91.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.858 -0.61 . . . . 17.36 111.401 -179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 60.8 t -57.75 -52.87 52.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.08 -0.509 . . . . 14.42 111.778 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.401 HD11 ' HB3' ' A' ' 38' ' ' TRP . 53.6 mt -61.03 -41.07 95.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.392 -0.367 . . . . 11.53 111.502 -179.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.23 -41.14 86.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.524 -0.307 . . . . 16.85 111.163 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -64.75 -44.09 91.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.437 -0.347 . . . . 30.3 110.533 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -44.34 91.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 14.04 110.487 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.4 ttt-85 -67.16 -33.43 75.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.843 0.354 . . . . 10.15 110.558 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -66.25 -41.45 89.94 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.619 -0.512 . . . . 27.05 109.619 178.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 72.7 mt -71.18 -15.75 62.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.743 -0.662 . . . . 17.72 110.721 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 57.5 mtt -78.75 -24.47 44.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.28 0.562 . . . . 18.11 109.506 178.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 66.2 mtt -85.09 -7.79 58.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.465 -0.789 . . . . 22.93 109.883 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 26.7 m -69.58 144.48 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.604 -0.725 . . . . 25.92 110.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -52.78 -39.15 62.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.62 0.6 . . . . 29.78 112.62 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.9 pm0 -72.38 -1.81 16.95 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.122 0.786 . . . . 28.22 113.122 -178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -131.37 -42.7 1.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 112.441 0.534 . . . . 18.41 112.441 -178.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 27.2 ptm -52.84 -25.3 11.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.878 1.066 . . . . 20.97 113.878 -177.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -121.14 40.48 3.56 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.485 -0.486 . . . . 35.29 112.222 -179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 19.7 mt -100.33 137.02 19.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.941 -0.392 . . . . 15.71 109.941 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -58.11 118.7 5.63 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.642 2.228 . . . . 19.11 111.402 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.3 mm-40 -100.22 143.02 25.71 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.39 -0.368 . . . . 20.51 111.637 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -69.34 168.64 20.43 Favored 'Trans proline' 0 C--O 1.237 0.441 0 C-N-CA 123.002 2.468 . . . . 26.0 111.4 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_exo -44.99 123.11 4.78 Favored 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.133 2.555 . . . . 30.09 113.029 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 -64.35 127.55 31.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.638 -0.71 . . . . 46.96 110.575 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 114.1 -23.45 12.76 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.372 -0.918 . . . . 36.35 112.799 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.6 141.08 39.71 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.894 0.378 . . . . 36.19 110.45 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 6.3 p -116.76 164.61 14.38 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.177 -0.465 . . . . 36.38 111.643 -178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 47.1 m-85 -82.55 -6.05 59.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.055 -0.521 . . . . 44.37 110.279 179.005 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -137.19 131.54 32.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 115.656 -0.702 . . . . 53.87 110.412 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . 0.421 HD22 ' HA ' ' A' ' 150' ' ' ASN . 1.3 t-20 . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.243 -0.884 . . . . 55.71 111.286 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.966 -0.383 . . . . 17.17 109.966 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -109.2 129.03 55.5 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.898 0.38 . . . . 21.89 110.768 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 21.1 pt -114.83 158.33 15.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.808 -0.633 . . . . 10.83 109.861 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.09 107.96 17.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.489 -0.323 . . . . 10.61 110.455 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.491 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 39.1 t -93.98 107.38 19.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.288 -0.634 . . . . 9.13 109.288 179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.418 ' O ' ' HA ' ' B' ' 68' ' ' HIS . 66.1 tttt -103.96 127.67 51.49 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.649 -0.705 . . . . 20.55 110.978 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 65.4 p -84.87 175.02 9.38 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.911 -0.586 . . . . 11.78 109.511 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 mt -78.93 -1.93 37.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.244 0.545 . . . . 19.31 110.087 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.04 -5.03 45.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.63 -0.714 . . . . 23.14 110.562 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.55 -4.43 64.02 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.863 -0.684 . . . . 19.74 112.848 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -76.02 128.04 34.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.056 -0.35 . . . . 21.93 110.056 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.1 m -119.31 109.32 15.66 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.857 0.36 . . . . 12.33 110.985 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.491 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 43.7 pt -100.63 143.21 14.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.94 -0.573 . . . . 17.08 110.717 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -95.76 136.52 36.06 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.164 -0.471 . . . . 16.3 110.25 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 tp -132.86 135.26 45.51 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.387 -0.369 . . . . 15.88 110.394 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -102.17 105.12 15.76 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.182 -0.463 . . . . 28.9 109.858 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 12.3 m -138.77 176.34 6.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.528 -0.306 . . . . 12.05 110.932 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 75.8 mm-40 -115.15 153.58 47.28 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.091 -0.707 . . . . 18.17 109.091 178.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.402 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 52.7 Cg_exo -55.79 -25.87 54.08 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 122.609 2.206 . . . . 8.16 113.386 -179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.55 -10.93 59.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.298 -0.41 . . . . 11.13 111.49 -179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.6 m-20 -68.55 136.48 53.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.012 0.434 . . . . 18.03 110.575 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.423 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.0 p -79.79 149.91 30.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.86 -0.609 . . . . 10.22 110.171 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -58.49 -35.22 53.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.229 0.537 . . . . 12.3 110.086 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.14 -37.68 88.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.54 -0.755 . . . . 36.51 110.507 178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -73.2 -35.81 66.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 25.66 109.719 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 22' ' ' THR . 79.8 t -61.08 -45.15 99.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.895 -0.593 . . . . 8.12 110.27 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.41 -36.0 79.09 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.985 -0.552 . . . . 15.47 110.951 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.99 -38.22 90.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.083 -0.508 . . . . 11.45 110.324 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 55.9 mttm -71.48 -36.5 71.18 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.608 -0.723 . . . . 24.98 110.235 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.9 mt -63.79 -41.35 92.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.06 -0.719 . . . . 9.46 109.06 178.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -68.51 -27.18 65.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.627 -0.715 . . . . 14.76 110.218 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -66.37 -39.66 89.26 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.987 -0.551 . . . . 26.29 111.84 -179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -101.35 -33.69 9.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 113.065 0.765 . . . . 30.06 113.065 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -98.02 -19.52 17.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.656 0.613 . . . . 25.19 112.656 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 74.71 19.33 79.94 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.524 -0.846 . . . . 7.41 113.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 62.2 mt -91.27 118.04 68.23 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 122.752 -0.264 . . . . 9.49 110.719 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.402 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 31.5 Cg_exo -59.17 125.17 17.34 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.621 2.214 . . . . 11.42 112.225 179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.7 Cg_exo -52.88 -25.12 26.39 Favored 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.52 2.814 . . . . 12.0 113.168 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -55.52 -37.05 67.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 35.55 111.361 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -110.09 45.61 1.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.444 0.64 . . . . 20.52 110.451 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -125.1 105.58 9.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.759 -0.655 . . . . 7.13 111.376 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.58 98.64 7.58 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.323 -0.621 . . . . 36.39 109.323 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.44 ' HB3' HD12 ' B' ' 50' ' ' LEU . 57.9 mt -80.24 118.83 22.26 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.818 -0.628 . . . . 9.55 111.364 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -109.66 128.8 65.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.433 -0.803 . . . . 13.9 110.322 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.489 ' CD2' HG12 ' B' ' 61' ' ' ILE . 73.6 t80 -145.92 132.44 19.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 6.86 110.312 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 25.78 12.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 11.15 111.538 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.32 13.65 80.2 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.836 -0.697 . . . . 13.93 112.811 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -125.17 150.31 47.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.872 0.368 . . . . 0.0 110.939 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -90.35 125.85 35.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.803 -0.635 . . . . 23.23 109.675 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' B' ' 45' ' ' PHE . 19.0 mt -79.15 114.8 18.38 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.775 0.321 . . . . 9.11 111.413 -179.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.407 ' HB3' ' CG ' ' B' ' 54' ' ' ARG . 33.5 tt0 -74.0 137.42 43.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.166 -0.47 . . . . 33.44 110.503 179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.9 -48.01 70.57 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.661 0.615 . . . . 28.37 112.661 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.22 23.65 3.22 Favored Glycine 0 CA--C 1.521 0.421 0 C-N-CA 120.991 -0.623 . . . . 15.0 114.475 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.407 ' CG ' ' HB3' ' B' ' 51' ' ' GLU . 5.2 mmt180 -123.22 170.96 9.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.628 0.714 . . . . 25.5 109.999 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -106.71 172.92 6.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.729 0.299 . . . . 11.95 110.652 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.409 HD12 ' O ' ' B' ' 18' ' ' GLU . 55.2 mt -67.46 -28.25 67.72 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.265 0.555 . . . . 10.17 110.002 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -20.92 61.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.759 -0.655 . . . . 13.59 111.8 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -70.29 -19.25 63.11 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.121 0.486 . . . . 11.7 111.376 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -120.32 11.21 11.45 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.165 -0.47 . . . . 12.95 110.259 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 55.58 45.09 25.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.262 -0.881 . . . . 25.45 111.447 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.489 HG12 ' CD2' ' B' ' 45' ' ' PHE . 62.2 mt -79.45 109.31 13.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.12 0.486 . . . . 14.6 109.734 179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -85.34 -174.14 5.05 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.55 -0.75 . . . . 33.23 111.001 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -81.45 154.64 26.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.008 -0.542 . . . . 25.97 109.626 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 66.85 8.19 5.84 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.438 0.461 . . . . 32.61 111.893 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.9 m -75.12 150.69 38.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.924 -0.399 . . . . 10.56 109.924 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 3.1 m -108.46 110.75 22.34 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.174 0.512 . . . . 5.33 112.101 -178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 34.5 mt -86.95 145.3 26.59 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.524 -0.917 . . . . 11.66 108.524 178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.418 ' HA ' ' O ' ' B' ' 6' ' ' LYS . 27.9 m-70 -113.35 119.25 37.02 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.872 -0.331 . . . . 16.3 110.218 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 21.7 tp -90.21 115.49 27.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.988 0.423 . . . . 9.96 111.456 -179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.8 t -108.16 132.81 54.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.681 -0.69 . . . . 9.76 109.933 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.4 mp -94.8 174.8 6.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.743 0.306 . . . . 19.57 110.699 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 3.1 tpp180 -116.36 135.29 54.0 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.983 -0.377 . . . . 35.08 109.983 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 mp -99.85 129.12 45.91 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.914 0.388 . . . . 32.31 111.044 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.7 ttp180 -134.61 140.2 45.9 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.967 -0.561 . . . . 42.75 109.549 179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.56 52.52 0.86 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.477 -0.868 . . . . 36.31 112.069 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.976 -0.902 . . . . 36.27 111.298 179.593 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.1 t . . . . . 0 N--CA 1.481 1.094 0 N-CA-C 110.556 -0.164 . . . . 51.18 110.556 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -73.27 100.66 3.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 52.33 110.455 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.551 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 47.7 t -66.33 -51.49 43.1 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.14 -0.482 . . . . 45.08 112.045 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.551 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 40.8 Cg_exo -56.62 -41.33 77.04 Favored 'Trans proline' 0 C--N 1.356 0.928 0 C-N-CA 121.842 1.695 . . . . 40.03 112.613 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt-85 -67.42 -47.4 70.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.581 0.229 . . . . 35.39 110.563 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.404 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 26.7 t-20 -60.56 -46.93 88.39 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.31 -0.405 . . . . 39.28 110.115 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -59.06 -42.8 91.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.665 -0.698 . . . . 39.58 110.216 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.504 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 22.3 tpp85 -61.42 -46.46 90.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.046 -0.524 . . . . 38.87 110.437 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.3 mt -62.71 -36.53 83.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.992 -0.549 . . . . 22.45 110.596 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 17' ' ' ASN . 96.8 mt -62.95 -36.73 84.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.261 0.553 . . . . 25.03 109.945 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -72.92 -32.08 65.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.675 -0.693 . . . . 36.37 110.696 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 19' ' ' ARG . 6.9 mm-40 -60.75 -38.03 83.83 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.736 -0.468 . . . . 25.08 109.736 179.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 60.9 tp -73.87 -36.55 64.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.749 -0.66 . . . . 28.37 109.945 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.33 -52.94 62.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.838 -0.619 . . . . 45.48 110.062 179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -61.99 -35.99 80.16 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.294 -0.412 . . . . 35.52 110.686 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -67.64 -48.55 55.67 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.742 -0.663 . . . . 31.25 113.087 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' O ' ' HZ ' ' B' ' 45' ' ' PHE . 2.3 tt0 -71.51 -22.43 61.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.766 0.283 . . . . 42.74 111.247 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -86.72 -13.26 45.86 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.671 -0.492 . . . . 47.38 109.671 178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.429 ' O ' ' HB ' ' B' ' 66' ' ' THR . . . 69.37 32.64 72.02 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.738 -0.665 . . . . 34.95 112.144 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -97.52 130.1 46.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 120.927 0.394 . . . . 28.2 110.515 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 160.63 -150.12 19.85 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.224 -0.751 . . . . 22.15 111.224 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -62.55 -72.23 0.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.933 0.397 . . . . 15.15 110.637 179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 147.54 -39.47 1.03 Allowed Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.804 -0.712 . . . . 12.29 111.429 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.547 HG22 HD22 ' B' ' 8' ' ' LEU . 46.6 p -81.71 -49.25 10.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.23 0.538 . . . . 13.75 110.256 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.7 m -80.92 142.01 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 14.12 110.37 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 m -138.24 153.83 49.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.302 -0.408 . . . . 14.51 110.311 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 38.3 p90 -147.22 164.28 33.69 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.136 -0.32 . . . . 16.01 110.136 179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -161.6 -178.47 35.56 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.411 -0.676 . . . . 16.67 111.411 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -83.03 129.75 35.07 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.765 0.317 . . . . 25.73 110.62 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.57 -38.21 10.98 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.563 -0.532 . . . . 44.86 109.563 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -59.51 -49.41 77.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.492 -0.776 . . . . 55.38 110.66 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 34.9 t70 67.29 -72.49 0.09 Allowed 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.393 0.677 . . . . 59.05 111.719 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -76.95 -41.02 44.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.574 -0.285 . . . . 62.12 111.441 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -72.81 123.08 22.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.876 0.369 . . . . 57.57 110.417 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 45.0 mtt -87.08 3.87 44.39 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.642 0.608 . . . . 49.86 112.642 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.5 p -71.25 -24.17 62.13 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.299 -0.561 . . . . 34.17 110.046 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.7 mt 59.22 58.33 3.11 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.206 -0.906 . . . . 26.52 110.643 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.8 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.551 -0.75 . . . . 22.44 111.106 -178.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtm-85 -103.62 128.18 50.95 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.223 0.535 . . . . 40.81 111.325 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 72.6 m95 -125.87 136.1 52.69 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.443 -0.799 . . . . 18.23 109.812 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.0 m -89.7 129.45 36.12 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.738 0.304 . . . . 26.25 110.577 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -113.25 154.66 16.81 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 110.789 -0.924 . . . . 14.96 110.789 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.2 ttp -147.2 129.78 15.96 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.172 0.486 . . . . 21.59 110.693 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.1 mt -127.29 123.74 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.957 -0.565 . . . . 12.92 110.571 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 pt -86.33 126.05 40.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.473 -0.566 . . . . 12.18 109.473 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.631 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -61.54 127.0 40.96 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.885 -0.674 . . . . 13.21 112.408 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 33.7 Cg_exo -59.98 144.4 99.47 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.793 2.329 . . . . 14.44 112.288 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 20.5 Cg_exo -64.99 156.93 59.8 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.532 2.155 . . . . 17.43 112.391 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 65.89 21.14 11.41 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.364 -0.834 . . . . 32.61 112.451 179.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 20.9 p -125.13 179.89 4.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.1 -0.704 . . . . 17.94 109.1 178.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -76.07 -11.97 60.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.158 0.504 . . . . 18.91 110.337 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.631 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 33.6 m-85 -103.17 8.78 38.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 16.86 110.142 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -53.11 129.41 30.92 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.916 0.71 . . . . 37.17 112.916 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.2 t30 59.32 31.71 21.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.022 -0.99 . . . . 30.81 112.279 177.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -115.7 120.4 39.23 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.926 0.393 . . . . 25.62 110.95 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 63.1 mt -89.68 106.26 16.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.841 -0.618 . . . . 19.36 109.517 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.582 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 45.4 m-85 -99.71 126.57 45.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.984 0.421 . . . . 12.92 111.378 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.64 142.01 28.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.698 -0.683 . . . . 13.09 110.351 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.5 mp -129.67 159.64 35.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.067 0.46 . . . . 13.47 111.091 -179.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.59 117.65 24.78 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.637 -0.711 . . . . 33.44 109.171 178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -114.26 125.67 71.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.254 -0.43 . . . . 19.18 110.496 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' CD ' HH22 ' A' ' 86' ' ' ARG . 67.3 mt-10 -114.19 110.06 19.38 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.932 0.396 . . . . 42.22 110.823 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 56.1 m -82.0 109.98 16.84 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.722 -0.672 . . . . 25.59 110.14 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -70.09 173.76 38.43 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.947 -0.644 . . . . 26.42 112.94 -179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.67 -13.58 37.59 Favored 'Trans proline' 0 CA--C 1.528 0.187 0 C-N-CA 123.182 2.588 . . . . 31.44 112.428 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -92.37 -4.76 53.36 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.083 -0.508 . . . . 44.64 111.487 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -58.18 137.66 84.48 Favored Pre-proline 0 N--CA 1.466 0.347 0 N-CA-C 110.198 -0.297 . . . . 29.6 110.198 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -98.52 22.56 23.28 Favored 'Cis proline' 0 C--N 1.348 0.543 0 C-N-CA 124.634 -0.986 . . . . 27.94 113.425 -0.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -71.66 -37.56 70.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.837 0.351 . . . . 36.76 110.842 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -111.73 146.36 34.56 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.091 -0.504 . . . . 30.58 110.822 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.75 130.8 30.74 Favored 'Trans proline' 0 C--O 1.234 0.302 0 C-N-CA 122.876 2.384 . . . . 28.58 112.242 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.91 160.22 43.63 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.918 2.412 . . . . 20.75 112.201 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.74 124.24 27.39 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.791 -0.448 . . . . 29.16 109.791 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.59 133.79 66.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.822 0.344 . . . . 20.48 111.164 -179.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.401 HH22 ' CD ' ' A' ' 73' ' ' GLU . 32.0 ptt-85 -150.44 150.08 30.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.116 -0.493 . . . . 41.41 109.953 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -90.92 151.09 21.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.18 -0.464 . . . . 16.6 110.593 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 12.3 t -98.77 -49.88 11.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.468 -0.567 . . . . 18.03 109.468 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.71 142.34 35.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.829 -0.623 . . . . 15.79 109.596 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 87.2 mttt -66.0 115.65 6.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.162 0.506 . . . . 35.04 110.834 -179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.582 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 7.9 tt -133.62 138.83 50.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 115.497 -0.774 . . . . 14.88 110.466 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.12 98.63 9.61 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.026 -0.731 . . . . 14.21 109.026 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 20.9 ttt -139.49 135.03 33.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.595 -0.729 . . . . 15.6 109.86 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 14.2 t30 -57.78 110.39 0.89 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 27.45 111.474 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.58 -7.69 13.65 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 121.008 -0.615 . . . . 23.3 112.49 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.501 HG13 HG22 ' A' ' 103' ' ' VAL . 2.0 mp -110.13 134.99 50.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.648 0.261 . . . . 22.53 110.472 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -73.26 144.58 46.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.289 -0.414 . . . . 26.32 110.621 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -87.21 -13.52 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.662 0.616 . . . . 22.69 112.662 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.1 m -101.08 -57.42 2.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.774 0.321 . . . . 31.16 111.389 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.0 p -84.41 -28.22 27.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.805 0.336 . . . . 30.09 111.149 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 80.95 7.66 88.34 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 25.64 111.584 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.9 mtp -71.26 146.17 49.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.703 0.287 . . . . 38.85 110.855 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.501 HG22 HG13 ' A' ' 96' ' ' ILE . 42.2 t -95.18 126.2 47.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.002 -0.544 . . . . 25.28 110.349 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.57 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 41.3 t0 -74.69 117.96 17.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.94 -0.573 . . . . 34.12 110.16 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.95 -34.32 78.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.643 -0.708 . . . . 29.16 112.751 -178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.57 ' HG2' ' OD1' ' A' ' 104' ' ' ASP . 24.5 ptt-85 -76.51 -7.4 55.07 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.584 -0.446 . . . . 52.63 111.539 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 71.4 m -104.33 0.65 29.41 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.93 0.395 . . . . 34.05 110.402 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 104' ' ' ASP . 34.7 mm -120.81 117.91 30.84 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 26.63 109.845 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.59 -46.12 28.25 Favored 'Trans proline' 0 CA--C 1.534 0.478 0 C-N-CA 123.423 2.749 . . . . 26.05 114.562 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 33.1 m -71.89 -18.53 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 N-CA-C 112.584 0.587 . . . . 25.84 112.584 -178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 61.7 mt -95.28 -38.75 10.4 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.68 0.276 . . . . 23.97 110.493 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -68.91 -39.94 79.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.46 0.647 . . . . 28.65 110.06 179.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -115.76 49.96 1.06 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.515 -0.766 . . . . 39.1 109.383 178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -61.19 144.81 53.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.186 -0.915 . . . . 29.08 111.195 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -129.01 152.11 48.97 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.784 -0.821 . . . . 45.36 108.784 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -63.21 -18.5 63.58 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.653 0.263 . . . . 37.64 111.659 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.14 0.35 45.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.925 0.393 . . . . 26.71 111.563 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 13.5 m-30 -90.11 161.93 15.55 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.406 -0.361 . . . . 23.06 110.279 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.6 m -150.82 179.34 8.31 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.175 -0.466 . . . . 17.53 110.002 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 24.3 mt -54.98 -44.34 73.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 121.046 0.451 . . . . 14.03 110.71 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 53.3 tttt -56.35 -41.13 75.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.443 -0.798 . . . . 24.78 111.104 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.02 -42.52 95.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 17.36 110.844 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.94 -48.91 86.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.012 -0.54 . . . . 14.42 110.827 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.4 -41.28 93.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 11.53 111.156 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -65.08 -37.76 88.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.431 -0.349 . . . . 16.85 110.791 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.51 -46.43 69.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 30.3 110.634 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 78.6 mt -58.83 -41.19 86.32 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 14.04 110.533 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.7 ttt-85 -66.59 -37.21 84.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.955 0.407 . . . . 10.15 110.159 179.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 65.7 ttp85 -63.91 -37.38 87.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.216 0.532 . . . . 27.05 109.762 179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.1 mt -71.75 -24.47 61.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.618 -0.719 . . . . 17.72 110.862 179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . . . . . . . . . 63.0 mtt -69.0 -27.42 65.68 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.289 0.566 . . . . 18.11 110.241 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.411 ' HG3' ' HG2' ' A' ' 58' ' ' PRO . 53.8 mtm -93.27 9.13 37.49 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 22.93 110.587 179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.4 t -80.78 151.27 28.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.978 -0.555 . . . . 25.92 109.75 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.484 ' HA ' ' SD ' ' A' ' 137' ' ' MET . 52.3 tptt -52.24 -39.38 60.24 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.052 0.76 . . . . 29.78 113.052 -178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 25.3 pm0 -79.49 -1.61 38.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 113.376 0.88 . . . . 28.22 113.376 -177.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -128.09 -36.17 1.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.487 0.551 . . . . 18.41 112.487 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.484 ' SD ' ' HA ' ' A' ' 134' ' ' LYS . 15.6 ptm -52.32 -23.17 5.4 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.907 1.077 . . . . 20.97 113.907 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 32.3 mmtt -122.63 24.33 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.757 -0.377 . . . . 35.29 111.884 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.405 ' HA ' HD23 ' A' ' 139' ' ' LEU . 10.2 mt -79.12 130.88 68.02 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.166 -0.309 . . . . 15.71 110.166 178.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.06 117.66 4.39 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.724 2.283 . . . . 19.11 111.553 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -92.61 136.46 25.18 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 116.37 -0.377 . . . . 20.51 111.286 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.27 169.74 19.99 Favored 'Trans proline' 0 CA--C 1.532 0.383 0 C-N-CA 122.599 2.199 . . . . 26.0 111.111 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.5 Cg_exo -47.54 130.37 18.03 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.776 2.317 . . . . 30.09 112.285 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -66.67 136.01 54.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.263 -0.881 . . . . 46.96 111.316 -178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 106.65 -26.8 18.61 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.722 -0.751 . . . . 36.35 112.904 178.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.57 136.34 56.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.774 0.321 . . . . 36.19 110.699 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 3.1 p -121.33 159.64 25.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.384 -0.371 . . . . 36.38 110.578 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 69.2 m-85 -72.28 -19.53 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.061 0.458 . . . . 44.37 110.365 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -124.08 140.08 53.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.55 -0.75 . . . . 53.87 109.291 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 19.4 m120 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.323 -0.846 . . . . 55.71 111.349 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.1 ptt? . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.158 -0.312 . . . . 17.17 110.158 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -88.89 118.65 28.76 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.163 -0.472 . . . . 21.89 110.894 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 22.3 pt -118.25 165.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 109.023 -0.732 . . . . 10.83 109.023 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.469 ' O ' ' HA ' ' B' ' 66' ' ' THR . 92.5 m-85 -124.77 131.43 53.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.746 0.307 . . . . 10.61 110.711 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.462 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 22.1 t -109.64 119.87 59.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 108.869 -0.789 . . . . 9.13 108.869 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.436 ' HA ' ' O ' ' B' ' 11' ' ' LYS . 86.2 tttt -113.8 124.03 51.25 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.05 0.452 . . . . 20.55 111.09 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.499 HG23 HD23 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -83.49 169.01 15.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.649 -0.705 . . . . 11.78 110.262 179.101 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.547 HD22 HG22 ' A' ' 35' ' ' THR . 18.6 mt -64.15 -21.02 66.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.91 0.386 . . . . 19.31 111.074 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -17.15 60.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.924 -0.58 . . . . 23.14 110.774 179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.57 -8.46 47.47 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.883 -0.599 . . . . 19.74 111.718 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.444 ' HB3' ' OG1' ' B' ' 7' ' ' THR . 59.4 tttm -63.14 129.33 39.87 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.867 0.365 . . . . 21.93 110.212 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -117.15 116.52 27.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.325 -0.398 . . . . 12.33 111.067 -179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 32.3 pt -110.77 153.8 12.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.983 0.42 . . . . 17.08 110.829 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.75 138.29 36.12 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.879 -0.6 . . . . 16.3 110.074 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 tp -138.55 137.74 37.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.862 0.363 . . . . 15.88 110.831 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -110.15 107.98 17.99 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.099 0.476 . . . . 28.9 110.469 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.45 ' O ' ' HG2' ' B' ' 1' ' ' MET . 1.6 m -140.24 165.09 21.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.685 -0.689 . . . . 12.05 109.896 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 45.6 mm-40 -103.86 157.08 34.68 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 109.398 -0.593 . . . . 18.17 109.398 179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -58.19 -25.63 72.61 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.281 1.988 . . . . 8.16 111.977 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.42 -2.35 45.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.577 -0.738 . . . . 11.13 111.479 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 5.1 m-20 -83.74 139.7 32.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.735 -0.469 . . . . 18.03 109.735 179.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.416 ' O ' HG23 ' B' ' 26' ' ' VAL . 35.8 p -87.1 158.77 19.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.306 -0.407 . . . . 10.22 110.863 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.407 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 48.7 mm -55.84 -37.04 45.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 CA-C-O 121.189 0.519 . . . . 12.3 110.452 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.5 -45.02 89.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.495 -0.775 . . . . 36.51 110.797 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -70.27 -34.08 72.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.011 -0.54 . . . . 25.66 110.574 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 22' ' ' THR . 72.3 t -61.39 -43.99 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.982 -0.554 . . . . 8.12 109.95 179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -61.4 -33.72 74.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.573 -0.74 . . . . 15.47 111.038 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.8 97.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 11.45 110.85 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 70.5 mttt -68.8 -35.49 77.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.18 -0.464 . . . . 24.98 110.278 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.01 -41.15 84.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 9.46 109.943 179.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -65.87 -27.39 68.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.183 -0.462 . . . . 14.76 111.147 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -69.48 -42.73 74.41 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.178 -0.465 . . . . 26.29 112.025 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -95.49 -38.51 10.42 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.147 0.795 . . . . 30.06 113.147 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -89.73 -28.22 19.54 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 112.093 0.405 . . . . 25.19 112.093 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.38 7.02 88.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.387 -0.911 . . . . 7.41 112.566 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 53.6 mt -83.49 120.41 75.42 Favored Pre-proline 0 C--N 1.327 -0.385 0 O-C-N 122.975 -0.132 . . . . 9.49 110.742 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.404 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 41.0 Cg_exo -58.38 133.37 54.42 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.871 2.38 . . . . 11.42 112.088 179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 77.4 Cg_exo -52.71 -27.41 33.62 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.473 2.782 . . . . 12.0 113.608 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -63.91 -35.59 81.17 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.139 0.495 . . . . 35.55 110.844 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -89.34 5.11 46.56 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.727 -0.67 . . . . 20.52 110.612 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -100.06 141.36 32.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 7.13 110.731 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.496 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 24.0 ttp180 -155.57 112.86 3.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.582 -0.896 . . . . 36.39 108.582 178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.76 133.37 36.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.343 0.592 . . . . 9.55 112.011 -178.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' B' ' 49' ' ' GLN . 30.3 mm -118.78 129.32 75.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.18 -0.918 . . . . 13.9 109.263 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.422 ' HZ ' ' O ' ' A' ' 28' ' ' GLN . 10.6 t80 -153.68 147.76 25.67 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.571 0.224 . . . . 6.86 110.886 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 61.02 14.87 5.68 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.767 -0.651 . . . . 11.15 112.202 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 85.56 18.72 59.7 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.906 -0.664 . . . . 13.93 112.361 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.73 160.96 38.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.78 0.324 . . . . 0.0 110.555 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.418 ' HA ' HD13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -84.77 133.3 34.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.058 -0.519 . . . . 23.23 110.174 -179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' B' ' 59' ' ' TYR . 11.7 mt -86.8 114.17 23.24 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.438 -0.346 . . . . 9.11 110.474 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.546 ' HB3' ' HG2' ' B' ' 54' ' ' ARG . 1.3 tt0 -69.35 137.71 53.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.748 -0.464 . . . . 33.44 109.748 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.407 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.3 m-20 -58.37 -31.0 67.23 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.185 0.809 . . . . 28.37 113.185 -177.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.21 24.7 20.88 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.355 -0.926 . . . . 15.0 113.334 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.546 ' HG2' ' HB3' ' B' ' 51' ' ' GLU . 7.8 mmt180 -115.94 162.56 17.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.864 0.364 . . . . 25.5 110.569 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.462 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 0.1 OUTLIER -93.58 163.35 13.59 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.731 -0.668 . . . . 11.95 110.086 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 86.0 mt -63.03 -36.51 83.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.096 0.474 . . . . 10.17 110.63 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.21 -19.06 63.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.05 -0.523 . . . . 13.59 111.656 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.462 ' HB2' ' O ' ' B' ' 55' ' ' THR . 6.7 m-20 -65.33 -18.67 65.49 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.834 0.35 . . . . 11.7 111.386 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.442 ' CG ' HD22 ' B' ' 50' ' ' LEU . 91.5 m-85 -122.18 16.23 10.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.384 -0.371 . . . . 12.95 110.775 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 60.25 32.31 20.75 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.744 -0.662 . . . . 25.45 111.561 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 56.1 mt -76.3 124.55 34.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 14.6 109.941 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -124.22 -170.2 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.253 -0.431 . . . . 33.23 110.843 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.444 ' HB3' ' HB2' ' B' ' 1' ' ' MET . 9.3 ptmt -68.03 152.91 44.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.118 -0.492 . . . . 25.97 111.367 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 66.78 3.5 3.04 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.531 -0.759 . . . . 32.61 112.295 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 27.3 m -79.19 126.98 31.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.873 0.368 . . . . 10.56 110.087 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.469 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.2 m -92.23 105.7 17.86 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.868 -0.605 . . . . 5.33 111.139 -179.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 54.7 mt -80.65 141.63 34.75 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.711 -0.677 . . . . 11.66 109.449 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.406 ' HB2' ' HB ' ' B' ' 44' ' ' ILE . 54.0 m170 -92.67 114.82 27.48 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.548 -0.296 . . . . 16.3 110.41 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.499 HD23 HG23 ' B' ' 7' ' ' THR . 34.9 tp -93.54 98.23 11.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.268 0.556 . . . . 9.96 110.198 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 43.7 t -92.17 108.56 20.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.528 -0.76 . . . . 9.76 110.222 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 64.2 mt -55.86 133.77 51.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 19.57 111.635 -179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 36.4 ttp85 -106.15 96.5 6.52 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.631 -0.713 . . . . 35.08 110.155 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.4 mp -84.14 126.14 32.82 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.794 -0.639 . . . . 32.31 110.811 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 41.3 ttt180 -109.42 122.77 48.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.321 -0.4 . . . . 42.75 110.2 179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.71 139.33 5.74 Favored Glycine 0 N--CA 1.443 -0.859 0 C-N-CA 120.707 -0.759 . . . . 36.31 111.777 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.105 0 CA-C-O 119.017 -0.879 . . . . 36.27 111.087 -179.797 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.5 t . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.292 -0.262 . . . . 51.18 110.292 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 63.6 mmtt -69.58 97.89 1.08 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.245 -0.434 . . . . 52.33 110.473 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.535 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 29.5 t -55.85 -51.87 76.95 Favored Pre-proline 0 CA--C 1.537 0.476 0 N-CA-C 112.652 0.612 . . . . 45.08 112.652 -179.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 45.1 Cg_exo -57.71 -42.96 54.36 Favored 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 121.897 1.731 . . . . 40.03 112.292 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 -68.51 -45.89 71.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 35.39 110.682 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -61.06 -46.03 92.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 39.28 110.373 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.5 t80 -62.33 -40.77 97.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 39.58 110.159 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.499 ' HD2' ' OE2' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -59.81 -45.08 93.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 38.87 109.936 178.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.93 -37.13 85.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 22.45 110.228 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 90.6 mt -68.87 -36.23 77.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 25.03 110.218 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.11 -51.05 61.61 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.016 -0.538 . . . . 36.37 110.231 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.499 ' OE2' ' HD2' ' A' ' 19' ' ' ARG . 12.3 mt-10 -64.66 -28.62 69.73 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.067 -0.515 . . . . 25.08 110.599 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 48.4 tp -63.2 -45.43 91.73 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.501 -0.555 . . . . 28.37 109.501 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -66.92 -35.66 80.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.527 -0.76 . . . . 45.48 109.781 179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -66.34 -25.3 66.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.723 -0.671 . . . . 35.52 110.68 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.18 -17.93 77.66 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.56 -0.616 . . . . 31.25 111.56 179.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -92.76 1.99 56.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.321 0.581 . . . . 42.74 110.157 179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -127.53 -30.09 2.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.803 -0.635 . . . . 47.38 111.055 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.44 ' HA3' ' NE2' ' B' ' 68' ' ' HIS . . . 76.36 49.37 8.33 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.699 . . . . 34.95 111.365 -179.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -75.61 102.54 2.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.682 0.277 . . . . 28.2 110.607 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 174.49 -135.09 3.01 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.976 -0.63 . . . . 22.15 111.852 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.7 -29.17 65.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.711 0.291 . . . . 15.15 111.014 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.17 -20.28 11.46 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.378 -0.915 . . . . 12.29 113.925 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.479 HG22 HD22 ' B' ' 8' ' ' LEU . 54.0 p -103.67 -33.46 8.95 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 117.18 0.49 . . . . 13.75 111.703 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.0 m -74.63 146.07 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.031 0.443 . . . . 14.12 111.855 -179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.5 m -146.22 140.68 26.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 14.51 109.882 179.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 43.6 p90 -135.15 169.81 16.88 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.543 -0.299 . . . . 16.01 110.817 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -176.62 -173.85 42.58 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 110.948 -0.861 . . . . 16.67 110.948 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.2 mt -77.25 148.66 35.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.423 0.612 . . . . 25.73 110.733 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' HA ' ' OG1' ' A' ' 52' ' ' THR . 0.9 OUTLIER -92.45 -66.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.192 -0.458 . . . . 44.86 110.621 179.655 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 43' ' ' ASP . 3.9 t70 -73.06 -33.24 65.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.775 -0.648 . . . . 55.38 111.26 -179.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 17.3 t70 74.57 -51.95 0.68 Allowed 'General case' 0 N--CA 1.469 0.485 0 O-C-N 123.795 0.684 . . . . 59.05 111.513 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -78.15 -35.14 49.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.251 . . . . 62.12 111.521 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -63.88 110.64 2.16 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.049 0.452 . . . . 57.57 110.358 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 mmt -77.63 2.35 16.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 49.86 112.535 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 p -69.97 -25.78 63.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.64 0.257 . . . . 34.17 110.914 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 mt 58.23 29.36 17.9 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.692 -0.685 . . . . 26.52 110.671 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.0 m -89.24 -33.41 16.99 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.927 -0.578 . . . . 22.44 111.801 -179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 86.4 mtm-85 -107.09 121.61 44.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.909 0.385 . . . . 40.81 111.666 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 46.6 m95 -120.18 153.87 35.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 18.23 110.428 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.484 ' OG1' ' HA ' ' A' ' 41' ' ' GLU . 23.6 m -100.83 130.44 46.85 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.062 -0.517 . . . . 26.25 110.523 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -117.55 124.38 6.1 Favored Glycine 0 N--CA 1.446 -0.656 0 N-CA-C 111.124 -0.79 . . . . 14.96 111.124 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 4.9 ttp -112.89 128.17 56.39 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.194 0.497 . . . . 21.59 110.473 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.9 mt -125.63 124.56 66.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.104 -0.498 . . . . 12.92 110.599 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 pt -90.92 123.45 43.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.332 -0.618 . . . . 12.18 109.332 178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.65 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -54.18 133.74 45.35 Favored Glycine 0 N--CA 1.449 -0.453 0 O-C-N 123.45 0.469 . . . . 13.21 112.984 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 42.6 Cg_endo -67.86 151.45 78.33 Favored 'Trans proline' 0 CA--C 1.53 0.288 0 C-N-CA 122.761 2.307 . . . . 14.44 112.268 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 21.4 Cg_exo -65.49 158.47 52.75 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.641 2.227 . . . . 17.43 113.134 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 60.55 27.8 17.47 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.258 -0.883 . . . . 32.61 112.514 178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 59' ' ' PRO . 27.1 p -130.61 -179.17 5.13 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 110.118 -0.327 . . . . 17.94 110.118 178.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -81.32 -3.23 51.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.032 0.444 . . . . 18.91 109.883 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.65 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 25.3 m-85 -108.39 -0.75 20.44 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.027 -0.533 . . . . 16.86 109.643 179.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.06 129.87 35.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.482 -0.781 . . . . 37.17 112.029 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 67.1 15.1 10.02 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.203 -0.908 . . . . 30.81 112.184 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.76 129.51 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.923 0.392 . . . . 25.62 110.58 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.8 mt -102.0 113.58 38.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-N 115.963 -0.562 . . . . 19.36 109.552 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.723 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 19.6 m-85 -105.36 142.18 35.57 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.058 0.456 . . . . 12.92 111.831 -178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.35 130.85 54.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.516 -0.765 . . . . 13.09 110.412 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.514 HD21 ' CZ ' ' A' ' 87' ' ' PHE . 6.0 mp -125.34 161.46 26.94 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.037 -0.529 . . . . 13.47 110.899 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -123.27 123.02 39.81 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.879 -0.6 . . . . 33.44 109.493 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.4 t -114.3 122.14 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.153 -0.476 . . . . 19.18 110.42 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -104.57 107.03 17.76 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.231 -0.441 . . . . 42.22 111.117 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.0 m -83.47 103.22 12.65 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.748 -0.66 . . . . 25.59 109.577 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.54 174.61 17.96 Favored Glycine 0 N--CA 1.45 -0.37 0 CA-C-N 115.9 -0.591 . . . . 26.42 113.087 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.42 -21.79 71.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.852 2.368 . . . . 31.44 112.291 -179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -91.53 2.81 56.18 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.568 -0.287 . . . . 44.64 111.551 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 79' ' ' PRO . 87.6 t80 -58.74 136.44 86.72 Favored Pre-proline 0 CA--C 1.532 0.26 0 N-CA-C 109.891 -0.411 . . . . 29.6 109.891 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 78' ' ' TYR . 97.5 Cg_endo -99.3 21.27 23.02 Favored 'Cis proline' 0 N--CA 1.456 -0.691 0 C-N-CA 124.583 -1.007 . . . . 27.94 113.592 0.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -70.11 -33.3 71.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.147 0.499 . . . . 36.76 110.306 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -108.79 143.19 27.06 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 30.58 110.448 179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.56 123.65 12.4 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 122.681 2.254 . . . . 28.58 112.385 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_endo -69.33 152.2 71.51 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.899 2.399 . . . . 20.75 112.234 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -78.36 128.27 33.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.04 -0.527 . . . . 29.16 110.13 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.581 HG21 HG11 ' A' ' 123' ' ' VAL . 17.1 t -125.67 134.31 66.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.675 0.274 . . . . 20.48 111.14 -179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 22.5 ptt-85 -145.81 146.66 31.25 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.4 -0.364 . . . . 41.41 110.772 179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.514 ' CZ ' HD21 ' A' ' 70' ' ' LEU . 26.1 m-85 -88.92 138.97 30.92 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 16.6 110.111 179.389 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 16.9 t -93.64 -44.16 13.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.218 0.533 . . . . 18.03 109.654 178.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.526 ' HB ' ' CD1' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -81.46 148.24 29.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.492 -0.776 . . . . 15.79 110.249 179.411 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.425 ' HA ' ' CZ ' ' A' ' 148' ' ' TYR . 84.4 mttt -66.46 121.71 15.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.769 0.319 . . . . 35.04 111.517 -179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.723 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 14.2 tt -145.45 130.6 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.114 -0.494 . . . . 14.88 110.978 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.87 92.7 6.65 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.34 -0.615 . . . . 14.21 109.34 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 28.3 ttt -130.03 142.3 50.64 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.264 -0.88 . . . . 15.6 109.591 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -63.92 115.01 4.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 27.45 111.013 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 110.59 -10.68 30.43 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.982 -0.628 . . . . 23.3 111.985 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.8 mp -101.51 126.51 55.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.286 -0.264 . . . . 22.53 110.286 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -62.35 133.52 55.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.279 -0.419 . . . . 26.32 110.31 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 32.8 p-10 -82.75 -1.55 51.84 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.046 0.758 . . . . 22.69 113.046 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 8.2 m -113.13 -55.28 2.54 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.764 -0.374 . . . . 31.16 111.576 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.2 p -92.16 -25.27 18.78 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.414 -0.357 . . . . 30.09 111.38 -179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.83 8.81 75.62 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.554 -0.831 . . . . 25.64 111.788 -179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.6 mtp -68.9 133.78 48.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.825 0.345 . . . . 38.85 110.869 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 10.6 t -89.09 134.55 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.125 -0.488 . . . . 25.28 110.377 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.427 ' OD1' ' HG2' ' A' ' 106' ' ' ARG . 5.2 t0 -79.24 127.35 31.94 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 34.12 110.085 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.91 -38.13 89.97 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.111 0.782 . . . . 29.16 113.111 -178.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HA ' ' HB2' ' A' ' 112' ' ' ALA . 32.8 ptt-85 -77.05 -9.62 58.84 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.383 -0.527 . . . . 52.63 111.663 -178.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.3 m -85.7 -24.88 26.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.096 0.474 . . . . 34.05 109.95 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.8 mm -101.28 122.46 48.21 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.034 -0.53 . . . . 26.63 110.148 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.27 -48.55 20.91 Favored 'Trans proline' 0 CA--C 1.531 0.333 0 C-N-CA 122.971 2.447 . . . . 26.05 113.615 -179.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.436 HG22 ' HG2' ' A' ' 126' ' ' GLU . 23.1 m -69.0 -18.44 22.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.381 0.511 . . . . 25.84 112.381 -178.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 31.5 mt -90.39 -42.81 10.71 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.922 -0.399 . . . . 23.97 109.922 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 106' ' ' ARG . . . -65.28 -42.81 92.8 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.454 -0.573 . . . . 28.65 109.454 178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.97 62.52 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.94 -1.133 . . . . 39.1 107.94 178.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 68.0 t-105 -74.71 133.69 42.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.132 -0.94 . . . . 29.08 111.814 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -118.54 149.0 42.06 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.916 -1.038 . . . . 45.36 108.204 178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -69.82 -2.1 11.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 37.64 111.619 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.18 6.5 46.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 26.71 110.306 179.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -104.2 171.69 7.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.014 -0.539 . . . . 23.06 110.08 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 p -158.1 -173.24 4.24 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.463 -0.335 . . . . 17.53 110.459 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.402 ' O ' ' HG ' ' A' ' 124' ' ' LEU . 30.5 mt -55.75 -41.33 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.319 0.581 . . . . 14.03 110.239 178.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 125' ' ' GLN . 27.4 ttpt -57.33 -48.04 80.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.076 -0.965 . . . . 24.78 111.089 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 87.6 t -61.27 -41.99 91.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.031 -0.531 . . . . 17.36 110.976 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 85' ' ' VAL . 77.6 t -61.18 -47.75 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 14.42 110.808 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 120' ' ' ILE . 87.9 mt -61.9 -42.63 99.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.103 -0.499 . . . . 11.53 111.196 -179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.481 ' HG3' ' O ' ' A' ' 121' ' ' LYS . 22.8 mt-30 -65.6 -38.23 88.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.398 -0.365 . . . . 16.85 110.714 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.436 ' HG2' HG22 ' A' ' 110' ' ' VAL . 5.2 tp10 -66.25 -46.4 77.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.154 -0.475 . . . . 30.3 110.623 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.426 ' O ' ' HG3' ' A' ' 131' ' ' MET . 66.5 mt -56.98 -43.2 81.45 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.92 -0.582 . . . . 14.04 110.843 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 128' ' ' ARG . 26.8 ttt180 -67.99 -34.8 77.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.372 -0.376 . . . . 10.15 110.936 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 56.5 ttp85 -64.34 -41.64 96.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.079 0.466 . . . . 27.05 109.926 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 88.2 mt -71.2 -15.47 62.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.649 -0.705 . . . . 17.72 110.965 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 61.2 mtt -79.76 -22.91 42.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.058 0.456 . . . . 18.11 109.94 179.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 77.7 mtm -86.94 -6.48 58.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.868 -0.605 . . . . 22.93 110.086 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 16.1 m -72.21 142.43 49.0 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.617 -0.719 . . . . 25.92 110.283 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.08 -30.76 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.531 0.567 . . . . 29.78 112.531 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.1 pm0 -75.18 -5.02 42.19 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.439 0.533 . . . . 28.22 112.439 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.409 ' HA ' ' HG ' ' A' ' 139' ' ' LEU . 73.6 m-20 -130.13 -42.48 1.22 Allowed 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.022 0.378 . . . . 18.41 112.022 -179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 9.9 ptm -54.66 -26.68 34.76 Favored 'General case' 0 N--CA 1.466 0.347 0 N-CA-C 113.203 0.816 . . . . 20.97 113.203 -177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 29.9 mmtm -112.1 28.91 8.34 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.136 0.421 . . . . 35.29 112.136 -178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.409 ' HG ' ' HA ' ' A' ' 136' ' ' ASN . 30.8 mt -91.99 133.82 29.81 Favored Pre-proline 0 C--N 1.325 -0.49 0 C-N-CA 121.02 -0.272 . . . . 15.71 110.324 178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.51 124.73 16.96 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.701 2.267 . . . . 19.11 111.209 178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -102.26 146.11 31.72 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 112.267 0.469 . . . . 20.51 112.267 -178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.55 170.7 19.42 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.188 2.592 . . . . 26.0 111.558 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -49.31 116.98 2.55 Favored 'Trans proline' 0 C--N 1.35 0.605 0 C-N-CA 122.691 2.26 . . . . 30.09 112.763 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.39 135.34 57.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.439 -0.8 . . . . 46.96 110.832 -179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 107.35 -22.06 29.68 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.663 -0.78 . . . . 36.35 111.957 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -76.74 144.23 39.41 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.903 0.383 . . . . 36.19 110.605 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.44 161.67 19.19 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.006 -0.543 . . . . 36.38 110.105 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . 0.425 ' CZ ' ' HA ' ' A' ' 90' ' ' LYS . 48.5 m-85 -76.17 -23.07 54.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.133 0.492 . . . . 44.37 110.028 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.29 134.51 34.41 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 53.87 109.538 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.249 -0.881 . . . . 55.71 110.536 -179.911 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.406 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 24.5 ptt? . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 120.742 0.306 . . . . 17.17 110.243 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -97.34 124.57 41.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.094 -0.503 . . . . 21.89 110.421 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 32.0 pt -123.69 170.12 14.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.85 -0.426 . . . . 10.83 109.85 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.466 ' O ' ' HA ' ' B' ' 66' ' ' THR . 85.7 m-85 -120.46 131.84 54.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.931 0.396 . . . . 10.61 110.945 -179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.42 109.5 28.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 109.13 -0.693 . . . . 9.13 109.13 178.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 ttmm -105.53 126.41 52.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.082 0.468 . . . . 20.55 111.006 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 2.9 p -87.15 173.59 9.15 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.805 -0.634 . . . . 11.78 109.744 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.544 HD11 HG13 ' B' ' 70' ' ' VAL . 38.0 mt -75.83 -5.5 46.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.253 0.549 . . . . 19.31 110.244 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.22 -17.65 24.54 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.244 -0.889 . . . . 23.14 110.545 179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.25 -23.82 15.37 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.822 -0.704 . . . . 19.74 112.567 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -57.95 110.92 1.01 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.942 0.401 . . . . 21.93 110.762 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -109.56 111.31 22.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.951 -0.568 . . . . 12.33 110.045 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 35.5 pt -104.02 156.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.994 -0.548 . . . . 17.08 110.878 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.56 145.96 24.45 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.074 -0.512 . . . . 16.3 109.793 178.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 tp -140.65 141.71 35.03 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.758 0.313 . . . . 15.88 110.295 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -111.63 108.37 17.82 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.051 -0.522 . . . . 28.9 110.771 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.406 ' O ' ' HG2' ' B' ' 1' ' ' MET . 2.8 m -145.66 166.2 9.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.652 -0.704 . . . . 12.05 109.648 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -104.18 154.64 38.08 Favored Pre-proline 0 C--N 1.32 -0.678 0 N-CA-C 109.254 -0.647 . . . . 18.17 109.254 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.401 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 50.4 Cg_exo -56.22 -28.38 70.87 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.48 2.12 . . . . 8.16 112.589 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.66 -6.93 57.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.039 -0.528 . . . . 11.13 111.99 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -75.21 142.74 43.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.027 0.442 . . . . 18.03 111.239 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.26 153.3 31.96 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.712 -0.676 . . . . 10.22 111.4 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 48.9 mm -60.26 -37.15 72.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 12.3 110.308 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.05 -39.49 90.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.922 -0.581 . . . . 36.51 110.036 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -68.31 -38.33 81.48 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.978 -0.556 . . . . 25.66 109.935 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.406 ' O ' HG13 ' B' ' 30' ' ' ILE . 71.9 t -59.48 -44.92 93.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.586 -0.734 . . . . 8.12 109.66 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.54 -40.1 93.48 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.736 -0.665 . . . . 15.47 110.601 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.41 89.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.775 -0.648 . . . . 11.45 110.984 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 52.7 mttt -68.57 -31.8 71.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.768 0.318 . . . . 24.98 110.425 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.406 HG13 ' O ' ' B' ' 26' ' ' VAL . 84.5 mt -71.12 -40.93 75.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 9.46 109.808 179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -64.2 -29.07 70.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.99 -0.55 . . . . 14.76 110.806 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -71.16 -30.86 66.98 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.115 -0.493 . . . . 26.29 112.228 -178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -103.35 -41.96 5.87 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.575 0.583 . . . . 30.06 112.575 -179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -87.86 -36.36 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.857 0.317 . . . . 25.19 111.857 -178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.42 35.49 10.59 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.366 -0.921 . . . . 7.41 112.142 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 59.1 mt -109.54 121.32 42.68 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.014 -0.365 . . . . 9.49 110.014 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 50.2 Cg_exo -55.27 132.22 50.93 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.808 2.339 . . . . 11.42 112.43 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 51.1 Cg_exo -54.72 -28.48 57.16 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.128 2.552 . . . . 12.0 112.151 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -59.72 -35.76 75.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.91 -0.587 . . . . 35.55 111.43 179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -94.69 0.26 54.9 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.05 -0.523 . . . . 20.52 110.795 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -89.87 130.45 36.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.971 -0.558 . . . . 7.13 110.584 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.587 ' HB3' ' O ' ' B' ' 70' ' ' VAL . 29.6 ttp180 -144.23 112.53 6.44 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.877 -0.786 . . . . 36.39 108.877 179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 49.3 mt -96.89 133.54 41.39 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.121 0.486 . . . . 9.55 111.985 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 46.9 mm -114.95 134.53 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.332 -0.849 . . . . 13.9 109.692 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.711 ' HB3' HD21 ' B' ' 50' ' ' LEU . 57.1 t80 -155.95 142.18 18.35 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 116.697 -0.229 . . . . 6.86 110.632 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.93 29.33 16.09 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.935 0.494 . . . . 11.15 112.107 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 70.7 37.22 67.19 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.842 -0.694 . . . . 13.93 112.393 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -157.77 165.88 34.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 0.0 110.236 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -91.85 135.33 34.0 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.23 -0.441 . . . . 23.23 110.512 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.711 HD21 ' HB3' ' B' ' 45' ' ' PHE . 35.4 mt -80.64 129.35 34.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.375 -0.375 . . . . 9.11 110.76 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.25 133.97 34.55 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 33.44 110.144 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -56.33 -36.28 68.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.841 -0.618 . . . . 28.37 112.363 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -80.2 -7.94 88.06 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.775 -0.726 . . . . 15.0 113.52 -178.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -91.81 172.02 8.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.219 0.51 . . . . 25.5 111.14 -179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.405 ' O ' ' HB2' ' B' ' 58' ' ' ASP . 27.7 p -111.75 174.79 5.71 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.968 -0.56 . . . . 11.95 110.489 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.404 ' HA ' HD12 ' B' ' 61' ' ' ILE . 99.1 mt -65.77 -38.85 90.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.949 0.404 . . . . 10.17 110.821 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 4.3 m -67.7 -16.21 64.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 13.59 111.561 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' B' ' 55' ' ' THR . 16.3 m-20 -73.14 -16.87 61.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.362 -0.381 . . . . 11.7 111.114 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -123.31 17.35 9.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.521 -0.309 . . . . 12.95 110.912 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 60.16 35.99 21.07 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 115.903 -0.59 . . . . 25.45 110.861 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.406 HG12 ' CE2' ' B' ' 45' ' ' PHE . 64.4 mt -83.07 115.32 25.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.233 -0.439 . . . . 14.6 110.364 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -99.12 -163.4 1.03 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.058 -0.519 . . . . 33.23 109.923 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -80.5 159.74 25.45 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.164 -0.31 . . . . 25.97 110.164 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 61.98 18.6 10.04 Favored 'General case' 0 C--O 1.235 0.309 0 O-C-N 123.543 0.527 . . . . 32.61 111.703 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.3 m -77.51 147.65 35.71 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.329 -0.619 . . . . 10.56 109.329 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.466 ' HA ' ' O ' ' B' ' 4' ' ' PHE . 1.7 m -112.75 99.88 8.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.239 0.543 . . . . 5.33 111.17 -179.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 24.4 mt -78.4 141.61 38.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.47 -0.786 . . . . 11.66 109.295 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.44 ' NE2' ' HA3' ' A' ' 30' ' ' GLY . 14.1 m-70 -103.68 118.65 37.22 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.984 -0.287 . . . . 16.3 110.284 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.2 tp -91.73 106.45 18.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.051 -0.522 . . . . 9.96 110.871 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.587 ' O ' ' HB3' ' B' ' 42' ' ' ARG . 57.4 t -98.16 98.57 7.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.613 -0.721 . . . . 9.76 109.467 179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -50.99 138.17 19.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.739 -0.664 . . . . 19.57 111.749 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 55.5 ttp85 -90.33 103.49 16.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.056 -0.52 . . . . 35.08 109.932 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.498 ' H ' HD12 ' B' ' 73' ' ' LEU . 5.6 mp -61.52 124.52 20.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.939 -0.573 . . . . 32.31 110.484 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -119.13 -5.39 10.48 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.974 0.416 . . . . 42.75 110.804 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.13 140.38 10.31 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.887 -0.673 . . . . 36.31 111.848 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.609 -1.106 . . . . 36.27 112.0 -179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 45.7 t . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.313 -0.254 . . . . 51.18 110.313 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -72.77 86.01 1.23 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.425 . . . . 52.33 109.926 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' HB ' ' HD3' ' A' ' 15' ' ' PRO . 48.1 t -58.39 -50.41 88.19 Favored Pre-proline 0 CA--C 1.536 0.407 0 N-CA-C 112.682 0.623 . . . . 45.08 112.682 -179.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.498 ' HD3' ' HB ' ' A' ' 14' ' ' VAL . 51.3 Cg_exo -53.31 -49.01 18.94 Favored 'Trans proline' 0 C--N 1.359 1.116 0 C-N-CA 121.902 1.735 . . . . 40.03 112.577 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 ttt-85 -62.45 -49.78 74.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.454 . . . . 35.39 110.809 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.78 -51.42 69.81 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.965 -0.561 . . . . 39.28 111.511 -178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -62.63 -40.75 97.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.47 -0.332 . . . . 39.58 111.297 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.6 tpp85 -59.4 -47.48 85.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.055 0.455 . . . . 38.87 110.194 179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.2 mt -67.15 -31.05 71.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.64 -0.709 . . . . 22.45 110.794 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 mt -65.46 -37.41 86.79 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.109 -0.7 . . . . 25.03 109.109 177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 52.5 mt-10 -69.54 -45.13 69.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.618 -0.719 . . . . 36.37 109.508 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' CD ' ' HB2' ' A' ' 119' ' ' SER . 3.2 mt-10 -58.84 -33.76 70.78 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.909 -0.587 . . . . 25.08 110.57 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 43.4 tp -59.47 -43.97 93.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.892 -0.595 . . . . 28.37 109.901 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.65 -34.34 60.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.644 -0.707 . . . . 45.48 110.221 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 22' ' ' GLU . 41.7 mm-40 -57.26 -39.66 76.05 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.231 -0.441 . . . . 35.52 110.71 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -71.14 -17.78 76.04 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 121.2 -0.524 . . . . 31.25 112.643 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -94.1 -4.22 49.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.057 0.456 . . . . 42.74 110.295 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -116.43 -56.77 2.26 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.793 -0.639 . . . . 47.38 110.453 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 95.44 45.35 3.01 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.933 -0.651 . . . . 34.95 112.018 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.3 t -73.8 112.17 10.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.047 0.451 . . . . 28.2 110.354 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 139.14 -118.48 1.55 Allowed Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.076 -0.81 . . . . 22.15 111.076 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.57 -43.85 88.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.95 0.405 . . . . 15.15 110.141 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.51 -25.02 18.75 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.847 -0.692 . . . . 12.29 112.759 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.4 HG22 HD22 ' B' ' 8' ' ' LEU . 32.2 p -83.84 -42.19 16.69 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.808 0.337 . . . . 13.75 111.357 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.88 126.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.375 0.607 . . . . 14.12 112.173 -179.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 m -137.7 132.26 32.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.423 -0.808 . . . . 14.51 109.264 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 21.6 p90 -152.38 170.81 19.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 16.01 110.719 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -171.5 -176.54 40.61 Favored Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.819 -0.628 . . . . 16.67 111.616 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.482 HD21 ' HA ' ' A' ' 48' ' ' LEU . 2.4 mt -70.73 135.59 48.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.548 0.174 . . . . 25.73 110.714 -179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -77.02 -48.12 18.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.125 0.488 . . . . 44.86 110.0 179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -75.67 -37.39 59.61 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.656 -0.702 . . . . 55.38 110.983 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 36.6 t70 73.77 -50.18 0.69 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.294 -0.866 . . . . 59.05 111.156 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -77.88 -47.23 19.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.338 -0.392 . . . . 62.12 110.955 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.459 ' OD1' HG23 ' A' ' 47' ' ' THR . 52.2 t0 -63.16 114.65 3.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.074 0.464 . . . . 57.57 110.367 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.0 mtt -85.97 10.82 12.96 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.622 0.601 . . . . 49.86 112.622 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.459 HG23 ' OD1' ' A' ' 45' ' ' ASP . 74.8 p -70.68 -23.03 62.41 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.588 -0.445 . . . . 34.17 110.128 178.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.482 ' HA ' HD21 ' A' ' 40' ' ' LEU . 2.5 mt 59.12 35.75 23.84 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.228 -0.896 . . . . 26.52 110.515 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 73' ' ' GLU . 4.4 m -91.22 -35.65 14.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.821 -0.627 . . . . 22.44 111.946 -179.17 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.2 mtm-85 -109.18 121.55 45.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.932 0.396 . . . . 40.81 110.751 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.5 m95 -121.82 155.13 35.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.885 -0.598 . . . . 18.23 111.856 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 19.7 m -116.66 108.57 16.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.362 -0.835 . . . . 26.25 109.391 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -104.41 131.1 10.49 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.703 -0.761 . . . . 14.96 111.391 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' MET . . . . . . . . . . . . . 3.3 ttp -118.19 123.04 44.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 117.197 0.499 . . . . 21.59 110.541 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.7 mt -112.87 118.15 57.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.064 -0.517 . . . . 12.92 110.52 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.08 123.54 39.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.103 -0.498 . . . . 12.18 109.694 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.573 ' HA3' ' O ' ' A' ' 63' ' ' TYR . . . -64.51 130.97 37.78 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.991 -0.623 . . . . 13.21 112.388 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 53.4 Cg_endo -69.26 141.02 46.08 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.756 2.304 . . . . 14.44 112.151 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 58' ' ' PRO . 25.8 Cg_exo -62.54 161.73 26.92 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.501 2.134 . . . . 17.43 112.256 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 69.17 22.51 6.75 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.62 -0.718 . . . . 32.61 111.972 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 28.9 p -137.05 179.59 6.29 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.89 -0.411 . . . . 17.94 109.89 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -74.44 -4.77 38.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.975 0.417 . . . . 18.91 110.607 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.573 ' O ' ' HA3' ' A' ' 57' ' ' GLY . 34.3 m-85 -113.69 9.92 17.85 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.038 -0.528 . . . . 16.86 110.663 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -51.84 121.79 7.19 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.883 0.697 . . . . 37.17 112.883 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 16.7 t30 72.53 -10.8 0.89 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.84 0.856 . . . . 30.81 113.048 177.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -66.43 143.71 56.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.211 0.529 . . . . 25.62 112.014 -178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 70.7 mt -111.87 111.61 36.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.596 -0.729 . . . . 19.36 109.488 179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.498 ' CE1' ' HB ' ' A' ' 91' ' ' ILE . 58.2 m-85 -105.05 123.41 47.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.069 0.461 . . . . 12.92 111.354 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.79 132.72 40.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.578 -0.737 . . . . 13.09 109.825 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 6.7 mp -124.51 148.17 47.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.97 0.414 . . . . 13.47 111.202 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -114.52 112.86 23.62 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.754 -0.657 . . . . 33.44 109.408 178.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.6 t -109.31 127.07 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.396 -0.366 . . . . 19.18 110.743 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 49' ' ' THR . 79.9 mt-10 -119.68 117.69 28.94 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.042 -0.526 . . . . 42.22 110.619 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 43.8 m -102.75 112.85 25.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.96 -0.564 . . . . 25.59 109.992 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.21 -168.77 33.42 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.863 -0.684 . . . . 26.42 113.454 -178.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.42 -12.25 29.37 Favored 'Trans proline' 0 C--N 1.343 0.263 0 C-N-CA 123.826 3.017 . . . . 31.44 113.397 -179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -88.63 -5.46 58.14 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.026 0.441 . . . . 44.64 110.861 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.413 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 23.7 t80 -70.35 144.27 91.76 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.278 -0.638 . . . . 29.6 109.278 179.225 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 69.0 Cg_endo -96.44 16.33 35.57 Favored 'Cis proline' 0 C--N 1.348 0.536 0 C-N-CA 124.547 -1.022 . . . . 27.94 113.264 -0.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -70.08 -38.42 75.69 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.982 0.42 . . . . 36.76 110.524 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -106.77 155.11 39.6 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.908 -0.587 . . . . 30.58 110.357 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -68.12 143.29 58.98 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.665 2.244 . . . . 28.58 112.161 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.55 177.51 6.92 Favored 'Trans proline' 0 N--CA 1.46 -0.454 0 C-N-CA 122.654 2.236 . . . . 20.75 112.26 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.3 m -98.88 125.0 44.16 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.601 -0.518 . . . . 29.16 109.601 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.4 t -125.19 128.81 73.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.802 0.334 . . . . 20.48 111.371 -179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -142.58 144.99 33.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.194 -0.457 . . . . 41.41 110.134 178.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -87.7 145.85 25.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 16.6 111.029 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.09 -50.67 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 108.994 -0.743 . . . . 18.03 108.994 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.84 139.59 37.13 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.395 -0.821 . . . . 15.79 109.923 179.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -63.54 126.58 27.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.064 0.459 . . . . 35.04 111.261 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.498 ' HB ' ' CE1' ' A' ' 68' ' ' TYR . 11.2 tt -144.24 135.96 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.616 -0.72 . . . . 14.88 110.846 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.445 ' ND2' ' HD3' ' A' ' 142' ' ' PRO . 79.8 m-20 -99.92 84.36 2.87 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.187 -0.672 . . . . 14.21 109.187 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 17.1 ttt -127.18 142.69 51.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.692 -0.685 . . . . 15.6 110.699 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -59.02 113.24 2.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.089 -0.505 . . . . 27.45 111.092 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 116.59 -11.65 15.96 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.952 -0.642 . . . . 23.3 112.644 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.5 mp -106.71 135.38 45.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 O-C-N 122.617 -0.343 . . . . 22.53 110.791 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -73.12 136.54 44.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 26.32 109.854 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.67 -12.15 60.01 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.047 0.758 . . . . 22.69 113.047 -178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.9 m -101.43 -60.83 1.46 Allowed 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.806 -0.358 . . . . 31.16 111.608 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 19.7 p -80.44 -35.94 34.33 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.021 0.439 . . . . 30.09 111.387 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.63 6.97 67.27 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.682 -0.771 . . . . 25.64 111.906 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 44.8 ttp -74.83 146.53 41.93 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.582 0.23 . . . . 38.85 110.456 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.0 t -90.65 134.74 28.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.304 -0.407 . . . . 25.28 110.781 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -85.11 111.84 20.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.087 -0.506 . . . . 34.12 110.146 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -57.98 -35.37 71.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.916 -0.584 . . . . 29.16 112.297 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -23.27 67.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.348 -0.387 . . . . 52.63 111.666 -179.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 13.0 m -99.36 3.76 46.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.644 -0.253 . . . . 34.05 111.674 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.4 mm -119.31 118.02 32.79 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 109.896 -0.409 . . . . 26.63 109.896 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -45.88 -51.27 8.56 Favored 'Trans proline' 0 CA--C 1.534 0.52 0 C-N-CA 123.678 2.918 . . . . 26.05 114.938 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.14 -18.81 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 N-CA-C 113.052 0.76 . . . . 25.84 113.052 -177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.79 -37.35 11.28 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.664 -0.415 . . . . 23.97 110.544 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.89 -51.8 60.03 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.653 -0.499 . . . . 28.65 109.653 178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.9 59.97 0.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.501 -0.925 . . . . 39.1 108.501 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 55.4 t-105 -70.15 136.13 49.83 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.238 -0.892 . . . . 29.08 111.91 -178.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -123.82 151.83 42.94 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.51 -0.922 . . . . 45.36 108.51 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 46.5 p30 -65.96 -10.47 39.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 37.64 111.427 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.88 -8.45 59.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.208 -0.451 . . . . 26.71 110.693 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.98 178.72 7.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 23.06 110.844 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.455 ' HB2' ' CD ' ' A' ' 23' ' ' GLU . 4.6 p -161.14 176.8 10.91 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.769 -0.65 . . . . 17.53 109.652 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.78 -36.57 77.05 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 N-CA-C 109.083 -0.71 . . . . 14.03 109.083 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -55.49 -42.57 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 114.93 -1.032 . . . . 24.78 110.543 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.4 t -67.64 -42.06 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 17.36 110.715 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 58.3 t -59.68 -49.03 85.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.22 -0.446 . . . . 14.42 111.33 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.91 -42.82 98.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 11.53 111.382 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -68.82 -36.85 78.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.436 -0.347 . . . . 16.85 110.915 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -65.85 -45.74 81.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 30.3 110.257 179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.419 ' O ' ' HG3' ' A' ' 131' ' ' MET . 92.1 mt -60.94 -42.54 98.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.844 -0.616 . . . . 14.04 110.63 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 -63.52 -37.51 87.59 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.37 -0.377 . . . . 10.15 110.409 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 ttp85 -65.67 -40.09 92.03 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.873 -0.417 . . . . 27.05 109.873 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.5 -28.19 67.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.685 -0.689 . . . . 17.72 110.835 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 127' ' ' LEU . 63.4 mtt -67.35 -28.81 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.247 0.546 . . . . 18.11 109.978 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 68.8 mtm -91.73 4.63 52.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.592 -0.731 . . . . 22.93 110.863 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.3 t -74.36 152.2 39.61 Favored 'General case' 0 N--CA 1.452 -0.356 0 N-CA-C 109.621 -0.511 . . . . 25.92 109.621 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 43.9 tptt -53.79 -34.3 58.68 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.962 0.727 . . . . 29.78 112.962 -178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 8.6 pm0 -86.65 7.42 26.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.722 0.638 . . . . 28.22 112.722 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -134.11 -35.11 0.95 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.259 0.466 . . . . 18.41 112.259 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 14.2 ptm -63.9 -18.26 64.02 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.883 0.698 . . . . 20.97 112.883 -178.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -121.98 40.27 3.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.854 0.359 . . . . 35.29 111.391 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.02 133.55 20.09 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.278 -0.419 . . . . 15.71 110.694 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -57.27 115.61 2.62 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 122.781 2.321 . . . . 19.11 111.497 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -96.42 141.1 22.62 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.205 -0.452 . . . . 20.51 111.637 -178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PRO . . . . . 0.445 ' HD3' ' ND2' ' A' ' 92' ' ' ASN . 43.4 Cg_endo -67.76 165.7 26.83 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.942 2.428 . . . . 26.0 111.874 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -46.2 126.82 10.23 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.259 2.639 . . . . 30.09 112.787 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.61 130.03 42.06 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.839 -0.619 . . . . 46.96 111.03 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 110.6 -10.77 30.4 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.705 -0.759 . . . . 36.35 112.423 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -81.9 138.33 35.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.061 0.458 . . . . 36.19 111.189 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' THR . . . . . . . . . . . . . 9.2 p -114.15 158.38 21.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.718 -0.674 . . . . 36.38 110.259 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -70.81 -35.39 72.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.088 0.47 . . . . 44.37 110.444 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 65.2 m-80 -119.27 169.33 10.07 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.921 -0.77 . . . . 53.87 108.921 178.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASN . . . . . . . . . . . . . 12.7 m120 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.084 -0.96 . . . . 55.71 110.554 179.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' B' ' 17' ' ' VAL . 23.4 ptt? . . . . . 0 N--CA 1.484 1.244 0 N-CA-C 109.973 -0.38 . . . . 17.17 109.973 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -95.41 131.76 41.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.059 0.457 . . . . 21.89 111.571 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 8.5 pt -132.7 169.49 21.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.608 -0.724 . . . . 10.83 109.368 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -126.01 137.57 53.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.859 0.361 . . . . 10.61 110.554 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.414 ' HB ' ' CG1' ' B' ' 13' ' ' ILE . 40.4 t -113.01 114.65 47.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.638 -0.505 . . . . 9.13 109.638 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 tptt -97.3 114.5 26.27 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.08 -0.509 . . . . 20.55 110.135 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.428 HG22 HD23 ' B' ' 69' ' ' LEU . 26.0 p -82.53 164.21 21.03 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.918 -0.583 . . . . 11.78 110.259 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.67 HD11 HG13 ' B' ' 70' ' ' VAL . 19.3 mt -69.46 -21.22 63.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.685 -0.487 . . . . 19.31 109.685 178.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -38.52 68.97 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.368 -0.833 . . . . 23.14 110.296 179.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 128.06 -18.92 5.83 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.661 -0.78 . . . . 19.74 112.888 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 45.2 tttm -68.87 110.5 4.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.888 0.375 . . . . 21.93 110.667 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.25 105.95 17.97 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.898 -0.592 . . . . 12.33 109.525 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.414 ' CG1' ' HB ' ' B' ' 5' ' ' VAL . 22.9 pt -95.66 162.33 2.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.047 0.451 . . . . 17.08 111.446 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.4 m -105.37 146.27 29.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.797 -0.638 . . . . 16.3 109.523 179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 tp -145.13 148.92 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.823 0.344 . . . . 15.88 110.928 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -114.62 109.8 18.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.878 -0.601 . . . . 28.9 109.89 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.622 ' O ' ' HG2' ' B' ' 1' ' ' MET . 18.8 m -133.89 162.27 39.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 116.15 -0.477 . . . . 12.05 110.845 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' B' ' 21' ' ' ASP . 20.9 mm-40 -104.87 155.0 38.22 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 109.102 -0.703 . . . . 18.17 109.102 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.78 -28.88 69.25 Favored 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 122.437 2.092 . . . . 8.16 112.926 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.97 3.34 51.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.394 -0.366 . . . . 11.13 111.825 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' B' ' 18' ' ' GLU . 1.1 t0 -75.26 142.71 43.29 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 120.975 0.417 . . . . 18.03 110.428 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.481 ' O ' HG23 ' B' ' 26' ' ' VAL . 17.4 p -89.26 153.61 20.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 10.22 110.371 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 46.6 mm -59.92 -32.19 49.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.157 -0.474 . . . . 12.3 111.0 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -62.52 -43.87 97.75 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.886 0.374 . . . . 36.51 110.275 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -67.75 -34.86 77.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 25.66 109.696 179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 22' ' ' THR . 89.2 t -59.69 -46.93 92.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.835 -0.62 . . . . 8.12 109.513 178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -61.75 -39.03 90.16 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.694 -0.684 . . . . 15.47 110.418 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.36 97.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.984 -0.553 . . . . 11.45 110.7 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -64.14 -39.12 93.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.187 0.518 . . . . 24.98 110.209 179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.25 -38.44 81.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.811 -0.632 . . . . 9.46 110.009 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -69.04 -23.64 64.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.013 -0.539 . . . . 14.76 110.939 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -73.82 -41.04 62.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.298 -0.41 . . . . 26.29 111.556 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -96.63 -41.17 8.65 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.871 0.693 . . . . 30.06 112.871 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -89.63 -39.21 13.38 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.156 -0.34 . . . . 25.19 111.517 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.92 5.71 57.34 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.522 -0.847 . . . . 7.41 112.545 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 29.0 mt -75.02 119.27 76.09 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.522 -0.177 . . . . 9.49 110.522 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 28.4 Cg_exo -62.66 131.45 33.51 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.442 2.094 . . . . 11.42 111.683 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 70.4 Cg_exo -52.77 -28.05 36.65 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 123.079 2.519 . . . . 12.0 113.256 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -61.8 -35.85 79.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.066 0.46 . . . . 35.55 110.777 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -95.03 8.05 44.14 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.883 -0.599 . . . . 20.52 110.471 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -101.25 112.05 24.44 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.699 -0.682 . . . . 7.13 111.052 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.423 ' HB3' ' HB ' ' B' ' 70' ' ' VAL . 30.2 ttp180 -123.75 96.73 5.07 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.733 -0.84 . . . . 36.39 108.733 178.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.491 ' HB3' HD12 ' B' ' 50' ' ' LEU . 42.4 mt -82.85 126.75 32.79 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.772 -0.649 . . . . 9.55 112.145 -178.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 36.3 mm -118.25 128.53 75.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.471 -0.786 . . . . 13.9 109.391 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.514 ' HB3' HD21 ' B' ' 50' ' ' LEU . 52.9 t80 -146.82 140.86 26.09 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 110.192 -0.299 . . . . 6.86 110.192 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.23 24.41 11.41 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.018 -0.537 . . . . 11.15 111.527 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.63 26.64 66.97 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.896 -0.669 . . . . 13.93 112.671 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -138.92 152.75 48.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.706 0.288 . . . . 0.0 110.617 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -83.0 123.47 29.48 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.894 -0.594 . . . . 23.23 109.636 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.514 HD21 ' HB3' ' B' ' 45' ' ' PHE . 26.8 mt -78.77 105.82 10.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.226 -0.443 . . . . 9.11 110.559 -179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -70.63 135.34 48.33 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.587 -0.279 . . . . 33.44 110.316 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 3.7 m-20 -51.11 -46.94 62.02 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.658 0.614 . . . . 28.37 112.658 -178.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.3 -9.83 81.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.002 -0.618 . . . . 15.0 113.971 -178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -87.03 161.59 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 117.374 0.587 . . . . 25.5 110.901 -179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.406 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 36.5 p -100.5 164.35 11.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.187 -0.461 . . . . 11.95 110.841 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -63.35 -25.88 68.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.102 0.477 . . . . 10.17 110.641 179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 33.9 m -78.8 -5.11 52.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.885 -0.598 . . . . 13.59 111.258 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -88.24 -13.71 40.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.733 0.301 . . . . 11.7 111.195 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -123.21 18.88 9.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.693 0.282 . . . . 12.95 111.194 -179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.36 44.52 24.44 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.825 -0.625 . . . . 25.45 110.606 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.475 HG12 ' CD2' ' B' ' 45' ' ' PHE . 52.5 mt -92.2 126.0 44.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.938 -0.574 . . . . 14.6 109.629 179.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -117.32 -169.6 1.69 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.177 -0.465 . . . . 33.23 110.677 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -73.33 157.92 36.07 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.286 -0.415 . . . . 25.97 110.188 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 65.8 8.59 5.39 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.97 -0.559 . . . . 32.61 112.369 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 m -75.62 145.53 41.02 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.288 -0.264 . . . . 10.56 110.288 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.3 m -106.98 97.79 7.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.164 0.507 . . . . 5.33 110.734 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 16.6 mt -75.5 138.49 41.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.826 -0.625 . . . . 11.66 109.617 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 55.2 m170 -95.72 115.15 27.02 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.262 -0.273 . . . . 16.3 110.262 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.428 HD23 HG22 ' B' ' 7' ' ' THR . 27.0 tp -94.44 105.64 17.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.101 0.477 . . . . 9.96 110.792 -179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.67 HG13 HD11 ' B' ' 8' ' ' LEU . 11.3 t -86.0 88.04 2.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.708 -0.678 . . . . 9.76 109.775 179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -71.17 134.52 46.99 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.89 -0.596 . . . . 19.57 111.196 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -115.2 100.4 8.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.914 -0.585 . . . . 35.08 109.947 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.19 140.69 36.2 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.062 -0.517 . . . . 32.31 110.18 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 43.9 ttp85 -116.47 135.17 54.06 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.14 -0.482 . . . . 42.75 110.733 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 120.31 122.87 3.01 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.643 -0.789 . . . . 36.31 112.227 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.859 0 CA-C-O 118.673 -1.07 . . . . 36.27 111.593 -179.851 . . . . . . . . 0 0 . 1 stop_ save_